# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-02T15:10:49+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 12 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
"1001274","9.047","","9.047","","7.81","","90","","90","","120","","553.6","","","","","","","","","","","","","5","P -6 2 m","P -6 -2","189","","POTASSIUM BARIUM SILICOTANTALATE *","","- Ba K4 O26 Si4 Ta6 -","- Ba0.9999 K4.0002 O26 Si4 Ta6 -","- Ba0.9999 K4.0002 O26 Si4 Ta6 -","1","0.0833333","","Choisnet, J; Nguyen, N; Raveau, B","Silicotantalates et siliconiobates non-stoechiometriques: les composes K~6-2x~ Ba~x~ Ta~6~ Si~4~ O~26~ (0<x<3) et K~8~ M~14~ Si~4~ O~47~ (M = Ta, Nb)","Materials Research Bulletin","1977","12","","91","96","10.1016/0025-5408(77)90093-9","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001275","9.035","","9.035","","7.79","","90","","90","","120","","550.7","","","","","","","","","","","","","5","P -6 2 m","P -6 -2","189","","POTASSIUM BARIUM SILICOTANTALATE *","","- Ba1.5 K3 O26 Si4 Ta6 -","- Ba1.5 K3 O26 Si4 Ta6 -","- Ba1.5 K3 O26 Si4 Ta6 -","1","0.0833333","","Choisnet, J; Nguyen, N; Raveau, B","Silicotantalates et siliconiobates non-stoechiometriques: les composes K~6-2x~ Ba~x~ Ta~6~ Si~4~ O~26~ (0<x<3) et K~8~ M~14~ Si~4~ O~47~ (M = Ta, Nb)","Materials Research Bulletin","1977","12","","91","96","10.1016/0025-5408(77)90093-9","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001276","9.112","0.005","9.112","0.005","20.01","0.01","90","","90","","120","","1438.8","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Pentapotassium undecaniobium digermanium oxide","","- Ge4 K10 Nb22 O68 -","- Ge4 K9.996 Nb22 O68 -","- Ge4 K9.996 Nb22 O68 -","1","0.0833333","","Choisnet, J; Hervieu, M; Groult, D; Raveau, B","Nouvelles phases multiples obtenues par intercroissance des reseaux ""M~6~X~4~O~26~"" et ""M~8~O~21~"": les oxydes K~10~ (M~8~ O~21~)~2~ * M~6~ X~4~ O~26~ (M=Nb,Ta)(X=Ge,Si)","Materials Research Bulletin","1977","12","","621","627","10.1016/0025-5408(77)90071-X","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001277","8.966","0.003","8.966","0.003","11.857","0.005","90","","90","","120","","825.5","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","TRIBARIUM TETRATITANIUM TETRAANTIMONY(V) OXIDE","","- Ba3 O21 Sb4 Ti4 -","- Ba3 O21 Sb3.9998 Ti4.0002 -","- Ba6 O42 Sb7.9996 Ti8.0004 -","2","0.0833333","","Saurel, C; Groult, D; Raveau, B","Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~","Materials Research Bulletin","1977","12","","629","635","10.1016/0025-5408(77)90072-1","","","","","","0.21","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001278","8.992","","8.992","","11.605","","90","","90","","120","","812.6","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","TRISTRONTIUM TETRATITANIUM TETRANIOBIUM OXIDE","","- Nb4 O21 Sr3 Ti4 -","- Nb4 O21 Sr3 Ti4 -","- Nb8 O42 Sr6 Ti8 -","2","0.0833333","","Saurel, C; Groult, D; Raveau, B","Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~","Materials Research Bulletin","1977","12","","629","635","10.1016/0025-5408(77)90072-1","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001279","9.008","","9.008","","11.629","","90","","90","","120","","817.2","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","TRISTRONTIUM TETRATITANIUM TETRATANTALUM OXIDE","","- O21 Sr3 Ta4 Ti4 -","- O21 Sr3 Ta3.9998 Ti4.0002 -","- O42 Sr6 Ta7.9996 Ti8.0004 -","2","0.0833333","","Saurel, C; Groult, D; Raveau, B","Etude du comportement de l'antimoine V et du strontium dans les oxydes a structure en cages du type A~3~ M~8~ O~21~","Materials Research Bulletin","1977","12","","629","635","10.1016/0025-5408(77)90072-1","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001306","9.317","0.003","5.752","0.001","5.105","0.001","90","","90","","90","","273.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001307","9.315","0.003","5.747","0.001","5.102","0.001","90","","90","","90","","273.1","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001308","9.306","0.003","5.742","0.001","5.097","0.001","90","","90","","90","","272.4","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001309","9.298","0.003","5.736","0.001","5.092","0.001","90","","90","","90","","271.6","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001310","9.287","0.003","5.731","0.002","5.089","0.001","90","","90","","90","","270.9","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001311","9.274","0.003","5.727","0.002","5.085","0.001","90","","90","","90","","270.1","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001312","9.266","0.003","5.72","0.002","5.08","0.001","90","","90","","90","","269.2","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001313","9.259","0.004","5.714","0.002","5.075","0.001","90","","90","","90","","268.5","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","GERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001314","9.261","0.004","5.707","0.002","5.074","0.001","90","","90","","90","","268.2","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","DIGERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001315","9.254","0.004","5.699","0.002","5.073","0.002","90","","90","","90","","267.5","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","DIGERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001316","9.247","0.004","5.689","0.002","5.072","0.002","90","","90","","90","","266.8","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","DIGERMANIUM DINITRIDE OXIDE","","- Ge2 N2 O -","- Ge2 N2 O -","- Ge8 N8 O4 -","4","0.5","","Srinivasa, S R; Cartz, L; Jorgensen, J D; Labbe, J C","Pressure-induced tetrahedral tilting and deformation in Ge~2~ N~2~ O","Journal of Applied Crystallography","1979","12","","511","516","10.1107/S0021889879013182","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001437","9.285","0.003","10.869","0.005","3.02","0.001","90","","90","","90","","304.8","","","","","","","","","","","","","5","P n a m","-P 2c 2n","62","","Hemicalcium hemilithium hemiiron(III) hemitin(IV) oxide","","- Ca0.5 Fe1.5 Li0.5 O4 Sn0.5 -","- Ca0.5 Fe1.5 Li0.5 O4 Sn0.5 -","- Ca2 Fe6 Li2 O16 Sn2 -","4","0.5","","Archaimbault, F; Choisnet, J; Hervieu, M; Raveau, B","De Nouveaux Ferrites de Calcium Substitues, Isotypes De Ca Fe~2~ O~4~: Les Oxydes Ca~1-x~ Li~x~ (Fe~2-x~ Sn~ ~x) O~4~ (0 < x <=0.60)","Annales de Chimie (Paris) (Vol=Year)","1987","12","","23","32","","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004061","8.981","0.003","8.981","0.003","8.981","0.003","90","","90","","90","","724.4","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","LANTHANUM RUTHENIUM OXIDE (4/6/19)","","- La4 O19 Ru6 -","- La4 O19 Ru6 -","- La8 O38 Ru12 -","2","0.0833333","","Abraham, F; Trehoux, J; Thomas, D","La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)","Materials Research Bulletin","1977","12","","43","52","10.1016/0025-5408(77)90087-3","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004062","9.05","0.002","9.05","0.002","9.05","0.002","90","","90","","90","","741.2","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","LANTHANUM OSMIUM OXIDE (4/6/19)","","- La4 O19 Os6 -","- La4 O19 Os6 -","- La8 O38 Os12 -","2","0.0833333","","Abraham, F; Trehoux, J; Thomas, D","La liaison metal-metal dans les clusters M~12~ O~36~: I - preparation et etudes structurale des phases La~4~ M~6~ O~19~ (M = Ru, Os)","Materials Research Bulletin","1977","12","","43","52","10.1016/0025-5408(77)90087-3","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007101","7.458","","7.458","","7.458","","44.28","","44.28","","44.28","","183.8","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Tristrontium vanadate","","- O8 Sr3 V2 -","","","","","","Durif, A","Structure cristalline des orthovanadates et orthoarseniates de baryum et de strontium.","Acta Crystallographica (1,1948-23,1967)","1959","12","","420","421","10.1107/S0365110X5900127X","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1007102","7.399","","7.399","","7.399","","44.32","","44.32","","44.32","","179.7","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","Tristrontium arsenate","","- As2 O8 Sr3 -","","","","","","Durif, A","Structure cristalline des orthovanadates et orthoarseniates de baryum et de strontium.","Acta Crystallographica (1,1948-23,1967)","1959","12","","420","421","10.1107/S0365110X5900127X","","","","","","","","","","","","","","","","","","","","","","176729","2020-10-21","18:00:00",""
"1008051","9.4907","0.0002","9.4907","0.0002","9.4907","0.0002","90","","90","","90","","854.9","","","","","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","Tribismuth gallium oxide diantimonate","","- Bi3 Ga O11 Sb2 -","- Bi3 Ga0.9999 O11 Sb2.0001 -","- Bi12 Ga3.9996 O44 Sb8.0004 -","4","0.166667","","Sleight, A W; Bouchard, R J","A new cubic K Sb O~3~ derivative structure with interpenetrating networks. Crystal structure of Bi~3~ Ga Sb~2~ O~11~","Inorganic Chemistry","1973","12","","2314","2316","10.1021/ic50128a019","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008124","5.58","","14.5","","5.34","","90","","90","","90","","432.1","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Diiron(III) dialuminium tetracalcium oxide","","- Al2 Ca4 Fe2 O10 -","- Al2 Ca4 Fe2 O10 -","- Al4 Ca8 Fe4 O20 -","2","0.25","","Bertaut, E F; Blum, P; Sagnieres, A","Structure du Ferrite Bicalcique et de la Brownmillerite","Acta Crystallographica (1,1948-23,1967)","1959","12","","149","159","10.1107/S0365110X59000433","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009033","5.64","","14.68","","5.39","","90","","90","","90","","446.3","","","","","","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","Diiron(III) dicalcium oxide","Srebrodolskite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Bertaut, E F; Blum, P; Sagnieres, A","Structure du ferrite bicalcique et de la brownmillerite","Acta Crystallographica (1,1948-23,1967)","1959","12","","149","159","10.1107/S0365110X59000433","","","","","","0.147","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010037","7.07","","7.07","","7.135","","90","","90","","120","","308.9","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","Copper(I) phosphide","","- Cu3 P -","- Cu3 P -","- Cu18 P6 -","6","0.5","","Steenberg, B","The Crystal Structure of Cu~3~ As and Cu~3~ P","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","2","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010038","3.992","","3.992","","6.091","","90","","90","","90","","97.1","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Copper antimony (2/1)","","- Cu2 Sb -","- Cu2 Sb -","- Cu4 Sb2 -","2","0.125","","Elander, M; Haegg, G; Westgren, A","The Crystal Structure of Cu~2~ Sb and Fe~2~ As","Arkiv foer Kemi, Mineralogi och Geologi, B","1935","12","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010039","5.209","","5.209","","8.761","","90","","90","","120","","205.9","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Barium dialuminium oxide","","- Al2 Ba O4 -","- Al2 Ba O4 -","- Al4 Ba2 O8 -","2","0.166667","","Wallmark, S; Westgren, A","X-Ray Analysis of Barium Aluminates","Arkiv foer Kemi, Mineralogi och Geologi, B","1937","12","35","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010311","5.525","0.005","5.525","0.005","5.525","0.005","90","","90","","90","","168.7","","","","","","","","","","","","","2","P n -3 m :1","P 4n 2 3 -1n","224","","Bismuth oxide","","- Bi2 O3 -","- Bi2 O3 -","- Bi4 O6 -","2","0.0416667","","Sillen, L G","X-Ray Studies of Bismuth Trioxide","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","18","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1010312","10.93","","10.93","","5.62","","90","","90","","90","","671.4","","","","","","","","","","","","","2","C -4 2 b","P -4 -2ab (1/2*x+1/2*y,-1/2*x+1/2*y,z)","117","","Bismuth oxide","","- Bi2 O3 -","- Bi2 O3 -","- Bi16 O24 -","8","","","Sillen, L G","X-Ray Studies on Bismuth Trioxide","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","18","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","208311","2020-10-21","18:00:00",""
"1010313","10.08","","10.08","","10.08","","90","","90","","90","","1024.2","","","","","","","","","","","","","2","I 2 3","I 2 2 3","197","","Bismuth oxide","","- Bi2 O3 -","- Bi2 O3 -","- Bi24 O36 -","12","0.5","","Sillen, L G","X-Ray Studies on Bismuth Trioxide","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","18","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1010314","10.08","","10.08","","10.08","","90","","90","","90","","1024.2","","","","","","","","","","","","","3","I 2 3","I 2 2 3","197","","Disilicon 24-bismuth 40-oxide","","- Bi24 O40 Si2 -","- Bi24 O40 Si2 -","- Bi24 O40 Si2 -","1","0.0416667","","Sillen, L G","X-Ray Studies on Bismuth Trioxide","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","18","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010511","6.72","","6.72","","6.72","","90","","90","","90","","303.5","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium bromate","","- Br Na O3 -","- Br Na O3 -","- Br4 Na4 O12 -","4","0.333333","","Vegard, L","Die Lage der Atome in den optisch aktiven Kristallen Na Cl O~3~ und Na Br O~3~.","Zeitschrift fuer Physik","1922","12","","289","303","10.1007/BF01328099","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010512","6.58","","6.58","","6.58","","90","","90","","90","","284.9","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","Sodium chlorate","","- Cl Na O3 -","- Cl Na O3 -","- Cl4 Na4 O12 -","4","0.333333","","Vegard, L","Die Lage der Atome in den optisch aktiven Kristallen Na Cl O~3~ und Na Br O~3~.","Zeitschrift fuer Physik","1922","12","","289","303","10.1007/BF01328099","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010608","10.14","","10.14","","10.14","","90","","90","","90","","1042.6","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ammonium hexachloroplumbate","","- Cl6 H8 N2 Pb -","- Cl6 H8 N2 Pb -","- Cl24 H32 N8 Pb4 -","4","0.0208333","","Wyckoff, R W G","The crystal structure of ammonium hexachloroplumbate ((N H~4~)~2~ Pb Cl~6~)","American Journal of Science, Serie 5(1,1921-1938)","1926","12","","503","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010654","4.446","0.0005","4.446","","4.446","","90","","90","","90","","87.9","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Tantalum carbide (1/1)","","- C Ta -","- C Ta -","- C4 Ta4 -","4","0.0208333","","Schwarz, M von; Summa, O","Die Kristallstruktur von Tantalkarbid","Metallwirtschaft, Metallwissenschaft, Metalltechnik","1933","12","","298","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","278158","2022-09-26","15:28:11",""
"1010975","9.611","","9.611","","9.611","","90","","90","","90","","887.8","","","","","","","","","","","","from Mina San Antonio, Copiapa, Chile","2","I -4 3 d","I -4bd 2c 3","220","","Copper(I) arsenide","Domeykite low","- As Cu3 -","- As Cu3 -","- As16 Cu48 -","16","0.333333","","Steenberg, B","The Crystal Structure of Cu3 As and Cu3 P","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","2","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010982","7.088","","7.088","","7.232","","90","","90","","120","","314.7","","","","","","","","","","","","synthetic","2","P -3 c 1","-P 3 2""c","165","","Copper(I) arsenide","Domeykite high","- As Cu3 -","- As Cu3 -","- As6 Cu18 -","6","0.5","","Steenberg, B","The Crystal Structure of Cu3 As and Cu3 P","Arkiv foer Kemi, Mineralogi och Geologi, A","1938","12","2","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011082","5.877","","5.877","","23.01999","","90","","90","","120","","688.6","","","","","","","","","","","","synthetic at 1273 K for 1d and natural","3","P 63/m m c","-P 6c 2c","194","","Lead dodecairon(III) oxide","Magnetoplumbite 5H","- Fe12 O19 Pb -","- Fe12 O19 Pb -","- Fe24 O38 Pb2 -","2","0.0833333","","Adelsköld, V.","X-ray studies on Magneto Plumbite PbO · 6Fe~2~O~3~ and other substances resembling β-alumina Na~2~O · 11Al~2~O~3~","Arkiv för Kemi, Mineralogi och Geologi, A","1938","12","2","1","9","","","","","","","","","","","","","","","","","","","","","","has coordinates","200142","2020-10-21","18:00:00",""
"1011298","3.627","","3.627","","5.973","","90","","90","","90","","78.6","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Iron arsenide (2/1)","","- As Fe2 -","- As Fe2 -","- As2 Fe4 -","2","0.125","","Elander, M; Haegg, G; Westgren, A","The crystal structure of Cu2 Sb and Fe2 As","Arkiv foer Kemi, Mineralogi och Geologi, B","1935","12","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100058","8.85","","8.85","","8.85","","90","","90","","90","","693.15","","","","","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Cu5 Zn8 -","- Cu5 Zn8 -","- Cu20 Zn32 -","4","0.0833333","","Bradley, A. J.; Gregory, C. H.","A comparison of the crystal structures of Cu~5~Zn~8~ and Cu~5~Cd~8~","The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science: Series 7","1931","12","75","143","162","10.1080/14786443109461789","","","","","","","","","","","","","","","","","","","","","has coordinates","209452","2020-10-21","18:00:00",""
"1501543","16.8098","0.0013","10.8804","0.0009","40.022","0.003","90","","95.523","0.003","90","","7285.9","1","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 n 1","P -2yac","7","","","","- C178 H191 N O13 -","- C178 H191 N O13 -","- C356 H382 N2 O26 -","2","1","","Gagnon, Eric; Maris, Thierry; Wuest,James D","Triarylamines Designed to Form Molecular Glasses. Derivatives of Tris(p-terphenyl-4-yl)amine with Multiple Contiguous Phenyl Substituents","Organic Letters","2010","12","","404","407","10.1021/ol902841c","","","1.54178","CuKα","","0.0904","0.0798","","","0.2068","0.2188","","","","","","1.09","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502626","7.9826","0.0001","15.1896","0.0002","14.0058","0.0002","90","","106.311","0.001","90","","1629.89","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br N O3 S -","- C17 H16 Br N O3 S -","- C68 H64 Br4 N4 O12 S4 -","4","1","","Yao, Chang-Sheng; Wang, Cui-Hua; Jiang, Bei; Tu, Shu-Jiang","One-pot combinatorial synthesis of 4-aryl-1H-thiopyrano[3,4-b]pyridine-5-one derivatives.","Journal of combinatorial chemistry","2010","12","4","472","475","10.1021/cc100017f","","","0.71073","MoKα","","0.0993","0.0636","","","0.1536","0.1723","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502627","14.7445","0.0002","11.168","0.0002","15.5403","0.0003","90","","111.725","0.001","90","","2377.21","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl N O2 S -","- C27 H26 Cl N O2 S -","- C108 H104 Cl4 N4 O8 S4 -","4","1","","Yao, Chang-Sheng; Wang, Cui-Hua; Jiang, Bei; Tu, Shu-Jiang","One-pot combinatorial synthesis of 4-aryl-1H-thiopyrano[3,4-b]pyridine-5-one derivatives.","Journal of combinatorial chemistry","2010","12","4","472","475","10.1021/cc100017f","","","0.71073","MoKα","","0.0676","0.045","","","0.1115","0.125","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502628","22.27","0.002","11.0361","0.0006","19.418","0.001","90","","97.983","0.002","90","","4726.2","0.6","299.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 Cl2 N3 O S -","- C24 H27 Cl2 N3 O S -","- C192 H216 Cl16 N24 O8 S8 -","8","1","","Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu","Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity.","Journal of combinatorial chemistry","2010","12","4","518","530","10.1021/cc100041m","","","0.7107","MoKα","","","0.041","","","","0.119","","","","","","1.101","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502629","38.497","0.008","12.466","0.003","11.636","0.003","90","","99.309","0.005","90","","5511","2","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cl N3 O2 S -","- C30 H34 Cl N3 O2 S -","- C240 H272 Cl8 N24 O16 S8 -","8","1","","Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu","Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity.","Journal of combinatorial chemistry","2010","12","4","518","530","10.1021/cc100041m","","","0.7107","MoKα","","","0.163","","","","0.438","","","","","","1.158","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502630","9.6423","0.0011","20.332","0.002","7.4807","0.0009","90","","97.331","0.002","90","","1454.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F O3 -","- C17 H17 F O3 -","- C68 H68 F4 O12 -","4","1","","Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V.","Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes.","Journal of combinatorial chemistry","2010","12","6","855","876","10.1021/cc100104k","","","0.71073","MoKα","","0.0506","0.0436","","","0.1028","0.1071","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502631","8.025","0.003","8.415","0.003","14.351","0.006","87.633","0.008","83.514","0.006","61.76","0.005","848.2","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C38 H38 N2 O10 -","2","1","","Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V.","Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes.","Journal of combinatorial chemistry","2010","12","6","855","876","10.1021/cc100104k","","","0.71073","MoKα","","0.1298","0.0884","","","0.1894","0.2121","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502632","17.3823","0.0017","5.3652","0.0005","16.7899","0.0017","90","","109.752","0.002","90","","1473.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","","Li, Dewen; Duan, Shudong; Hu, Youhong","Three-component one-pot approach to synthesize benzopyrano[4,3-d]pyrimidines.","Journal of combinatorial chemistry","2010","12","6","895","899","10.1021/cc100173b","","","0.71073","MoKα","","0.0668","0.048","","","0.1174","0.128","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502633","11.0619","0.0012","11.2598","0.0013","17.5329","0.0019","90","","93.662","0.001","90","","2179.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N4 S2 -","- C25 H20 N4 S2 -","- C100 H80 N16 S8 -","4","1","","Han, Zheng-Guo; Miao, Chun-Bao; Shi, Feng; Ma, Ning; Zhang, Ge; Tu, Shu-Jiang","Diversity Synthesis of N-Substituted 2-Amino-1,6-naphthyridine Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2010","12","1","16","","10.1021/cc900030e","","","0.71073","MoKα","","0.3127","0.0665","","","0.0863","0.1204","","","","","","0.808","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502634","27.1869","0.0006","10.2149","0.0002","34.7688","0.0009","90","","106.095","0.001","90","","9277.2","0.4","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H35 N3 O2.5 S0.5 -","- C22 H35 N3 O2.5 S0.5 -","- C352 H560 N48 O40 S8 -","16","2","","Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng","Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines","Journal of Combinatorial Chemistry","2010","12","1","186","","10.1021/cc900125a","","","0.71073","MoKα","","0.1044","0.0603","","","0.1446","0.1678","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502635","5.7118","0.0002","25.8049","0.001","11.8905","0.0006","90","","94.801","0.003","90","","1746.42","0.13","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N3 O2 -","- C18 H25 N3 O2 -","- C72 H100 N12 O8 -","4","1","","Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng","Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines","Journal of Combinatorial Chemistry","2010","12","1","186","","10.1021/cc900125a","","","0.71073","MoKα","","0.1449","0.0806","","","0.1985","0.2388","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502636","9.2085","0.0009","9.6607","0.001","11.2222","0.0013","77.053","0.001","80.455","0.002","71.635","0.002","918.49","0.17","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C46 H42 N2 O6 -","2","1","","Lin, Chi-Hui; Chen, Jhih-Rong; Yang, Ding-Yah","Syntheses of Quaternary Carbon-Containing Oxazatricycle and Spiropyran Libraries via Multicomponent Reactions and Their Molecular Switching Properties","Journal of Combinatorial Chemistry","2010","12","1","119","","10.1021/cc900127g","","x-ray","0.71073","MoKα","","0.0696","0.0494","","","0.1328","0.1484","","","","","","1.045","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1502637","9.6289","0.0018","12.161","0.002","13.927","0.003","75.761","0.004","89.878","0.004","70.641","0.004","1485.7","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O5 -","- C31 H29 N O5 -","- C62 H58 N2 O10 -","2","1","","Lin, Chi-Hui; Chen, Jhih-Rong; Yang, Ding-Yah","Syntheses of Quaternary Carbon-Containing Oxazatricycle and Spiropyran Libraries via Multicomponent Reactions and Their Molecular Switching Properties","Journal of Combinatorial Chemistry","2010","12","1","119","","10.1021/cc900127g","","x-ray","0.71073","MoKα","","0.1196","0.0778","","","0.228","0.2627","","","","","","1.122","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1502638","14.7393","0.0004","10.7465","0.0003","25.4251","0.0007","90","","90","","90","","4027.23","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Bromophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","","- C25 H15 Br N4 -","- C25 H15 Br N4 -","- C200 H120 Br8 N32 -","8","1","BT2842","Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T.","Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole","Journal of Combinatorial Chemistry","2010","12","1","161","","10.1021/cc9001394","","","0.71073","MoKα","","0.0934","0.0401","","","0.0949","0.1202","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502639","8.0158","0.0009","10.0261","0.0012","14.3653","0.0017","72.26","0.006","79.42","0.006","78.224","0.006","1067.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4-(2,4-Dichlorophenyl)-1,4-dihydro-2-(1H-indol-3-yl)-6-(pyridine-3- carbonitrile","4-(2,4-Dichlorophenyl)-2-(1<i>H</i>-indol-3-yl)-6-(2-pyridyl)- 1,4-dihydropyridine-4-carbonitrile","","- C25 H16 Cl2 N4 -","- C25 H16 Cl2 N4 -","- C50 H32 Cl4 N8 -","2","1","BT2767","Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T.","Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole","Journal of Combinatorial Chemistry","2010","12","1","161","","10.1021/cc9001394","","","0.71073","MoKα","","0.0534","0.0436","","","0.1237","0.1397","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502640","10.0307","0.0012","22.446","0.003","17.932","0.003","90","","90.991","0.004","90","","4036.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2, 4-Dichlorophenyl)-6-(1H-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","4-(2, 4-Dichlorophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","","- C25 H14 Cl2 N4 -","- C25 H14 Cl2 N4 -","- C200 H112 Cl16 N32 -","8","2","BT2890","Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T.","Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole","Journal of Combinatorial Chemistry","2010","12","1","161","","10.1021/cc9001394","","","0.71073","MoKα","","0.0716","0.0426","","","0.1135","0.141","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502641","9.2367","0.0006","9.6213","0.0013","10.4565","0.0008","103.872","0.006","114.049","0.004","92.266","0.006","813.92","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cl N O -","- C21 H18 Cl N O -","- C42 H36 Cl2 N2 O2 -","2","1","","Wang, Xiang-Shan; Zhou, Jie; Yin, Ming-Yue; Yang, Ke; Tu, Shu-Jiang","Efficient and highly selective method for the synthesis of benzo(naphtho)quinoline derivatives catalyzed by iodine.","Journal of combinatorial chemistry","2010","12","2","266","269","10.1021/cc900165j","","","0.71073","MoKα","","0.0572","0.0426","","","0.1057","0.1153","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502642","9.1128","0.001","10.1416","0.0012","10.6352","0.0013","76.379","0.008","81.633","0.008","74.199","0.008","915.66","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 F N O -","- C25 H20 F N O -","- C50 H40 F2 N2 O2 -","2","1","","Wang, Xiang-Shan; Zhou, Jie; Yin, Ming-Yue; Yang, Ke; Tu, Shu-Jiang","Efficient and highly selective method for the synthesis of benzo(naphtho)quinoline derivatives catalyzed by iodine.","Journal of combinatorial chemistry","2010","12","2","266","269","10.1021/cc900165j","","","0.71073","MoKα","","0.1259","0.0923","","","0.2513","0.2745","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502643","9.7976","0.0014","11.3938","0.0017","11.8365","0.0019","90","","120.442","0.008","90","","1139.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","","Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang","Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids","Journal of Combinatorial Chemistry","2010","12","4","417","421","10.1021/cc900174p","","","0.71073","MoKα","","0.1619","0.1253","","","0.327","0.3563","","","","","","1.197","","","","has coordinates","219057","2020-10-21","18:00:00",""
"1502644","39.9096","0.0012","11.2986","0.0003","29.634","0.001","90","","131.752","0.003","90","","9969","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C448 H576 N64 O32 -","32","4","","Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang","Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids","Journal of Combinatorial Chemistry","2010","12","4","417","421","10.1021/cc900174p","","","0.71073","MoKα","","0.0893","0.0637","","","0.1871","0.2108","","","","","","1.063","","","","has coordinates","219057","2020-10-21","18:00:00",""
"1502645","6.9285","0.0002","14.9028","0.0004","10.7454","0.0003","90","","94.45","0.002","90","","1106.16","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C48 H56 N8 O4 S4 -","4","1","","Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang","Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids","Journal of Combinatorial Chemistry","2010","12","4","417","421","10.1021/cc900174p","","","0.71073","MoKα","","0.0599","0.039","","","0.0872","0.0972","","","","","","1.029","","","","has coordinates","219057","2020-10-21","18:00:00",""
"1502646","4.906","0.0003","9.9103","0.0007","14.4818","0.0011","91.786","0.002","104.35","0.001","110.743","0.001","632.4","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","2-(Benzylthio)-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C28 H26 N6 O2 S2 -","2","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.0633","0.0485","","","0.1177","0.1252","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502647","19.8028","0.001","5.2167","0.0003","17.3692","0.0009","90","","108.081","0.001","90","","1705.72","0.16","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Benzylthio)-1-cyclopentyl-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","- C19 H21 N3 O S -","- C19 H21 N3 O S -","- C76 H84 N12 O4 S4 -","4","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.055","0.0483","","","0.1199","0.125","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502648","17.4388","0.0009","15.7401","0.0008","14.454","0.0008","90","","105.718","0.001","90","","3819.1","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(benzylthio)-7-methyl-5-oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carbaldehyde","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C176 H152 N24 O16 S8 -","8","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.0478","0.0419","","","0.1129","0.1171","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502649","6.9999","0.0004","17.428","0.001","13.8297","0.0008","90","","96.91","0.001","90","","1674.89","0.17","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(6-Amino-2-benzylsulfanyl-5-phenyl-pyrimidin-4-yloxy)-acetonitrile","","- C19 H16 N4 O S -","- C19 H16 N4 O S -","- C76 H64 N16 O4 S4 -","4","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.0481","0.0422","","","0.1053","0.1091","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502835","6.5866","0.0013","10.932","0.002","24.192","0.005","90","","90","","90","","1741.9","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Feng, Tao; Li, Yan; Liu, Ya-Ping; Cai, Xiang-Hai; Wang, Yuan-Yuan; Luo, Xiao-Dong","Melotenine A, a cytotoxic monoterpenoid indole alkaloid from Melodinus tenuicaudatus.","Organic letters","2010","12","5","968","971","10.1021/ol1000022","","","0.71073","MoKα","","0.1489","0.0549","","","0.1028","0.1376","","","","","","0.914","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502836","6.7271","0.0008","8.4431","0.001","33.243","0.004","90","","90","","90","","1888.1","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cl O4 -","- C22 H19 Cl O4 -","- C88 H76 Cl4 O16 -","4","1","","Cui, Hai-Lei; Huang, Ji-Rong; Lei, Jie; Wang, Zhao-Feng; Chen, Shi; Wu, Li; Chen, Ying-Chun","Direct asymmetric allylic alkylation of butenolides with Morita-Baylis-Hillman carbonates.","Organic letters","2010","12","4","720","723","10.1021/ol100014m","","","0.71073","MoKα","","0.0332","0.0298","","","0.0681","0.0697","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502837","11.3891","0.0001","18.0473","0.0004","19.6602","0.0003","90","","94.5867","0.001","90","","4028.07","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H108 Cl6 N4 P2 Pd2 -","- C76 H76 Cl6 N4 P2 Pd2 -","- C152 H152 Cl12 N8 P4 Pd4 -","2","0.5","","Ackermann, Lutz; Potukuchi, Harish K.; Althammer, Andreas; Born, Robert; Mayer, Peter","Tetra-ortho-substituted biaryls through palladium-catalyzed Suzuki-Miyaura couplings with a diaminochlorophosphine ligand.","Organic letters","2010","12","5","1004","1007","10.1021/ol1000186","","","0.71073","MoKα","","0.0655","0.0458","","","0.1297","0.1437","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502838","10.4314","0.0007","15.4544","0.0012","17.8219","0.0016","90","","90","","90","","2873.1","0.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C116 H160 O40 -","4","1","","Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, I-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Shen, Ya-Ching","Arisandilactone A, a new triterpenoid from the fruits of Schisandra arisanensis.","Organic letters","2010","12","5","1016","1019","10.1021/ol100024r","","","1.54178","CuKα","","0.2458","0.0754","","","0.1662","0.2451","","","","","","0.744","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502839","7.6052","0.0004","13.5568","0.0007","16.9736","0.0009","90","","90","","90","","1750.02","0.16","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Schultz, Danielle M.; Wolfe, John P.","Synthesis of polycyclic nitrogen heterocycles via alkene aminopalladation/carbopalladation cascade reactions.","Organic letters","2010","12","5","1028","1031","10.1021/ol100033s","","","0.71073","MoKα","","0.0399","0.0346","","","0.0819","0.0852","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502840","13.0331","0.0011","13.2679","0.0011","24.257","0.002","98.544","0.007","93.146","0.007","106.279","0.007","3961.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75.24 H121 N10 O8.12 P S2.12 -","- C75.24 H121 N10 O8.12 P S2.12 -","- C150.48 H242 N20 O16.24 P2 S4.24 -","2","1","","Dydio, Paweł; Zieliński, Tomasz; Jurczak, Janusz","7,7'-Diureido-2,2'-diindolylmethanes: anion receptors effective in a highly competitive solvent, methanol.","Organic letters","2010","12","5","1076","1078","10.1021/ol1000395","","","0.71073","MoKα","","0.08","0.0369","","","0.0737","0.0797","","","","","","0.81","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502841","18.2601","0.0007","12.6607","0.0004","24.7388","0.0008","90","","93.657","0.003","90","","5707.6","0.3","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C118 H179 N15 O12 P2 -","- C118 H179 N15 O12 P2 -","- C236 H358 N30 O24 P4 -","2","0.5","","Dydio, Paweł; Zieliński, Tomasz; Jurczak, Janusz","7,7'-Diureido-2,2'-diindolylmethanes: anion receptors effective in a highly competitive solvent, methanol.","Organic letters","2010","12","5","1076","1078","10.1021/ol1000395","","","0.71073","MoKα","","0.0907","0.0493","","","0.1248","0.1364","","","","","","0.993","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502842","5.86","0.0006","15.3822","0.0015","18.6383","0.0018","90","","90","","90","","1680.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br N2 O4 -","- C14 H19 Br N2 O4 -","- C56 H76 Br4 N8 O16 -","4","1","","Li, Qing; Ding, Chang-Hua; Hou, Xue-Long; Dai, Li-Xin","Diastereo- and enantioselective synthesis of alpha,gamma-diaminobutyric acid derivatives via Cu-catalyzed asymmetric Michael reaction.","Organic letters","2010","12","5","1080","1083","10.1021/ol100060t","","","0.71073","MoKα","","0.0907","0.0462","","","0.0898","0.1022","","","","","","0.922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502843","7.6814","0.0001","12.1284","0.0001","27.7022","0.0003","90","","90","","90","","2580.82","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O6 -","- C28 H40 O6 -","- C112 H160 O24 -","4","1","","Wang, Cui-Fang; Liu, Jie-Qing; Yan, Yu-Xin; Chen, Jian-Chao; Lu, Yang; Guo, Yong-Hui; Qiu, Ming-Hua","Three new triterpenoids containing four-membered ring from the fruiting body of Ganoderma sinense.","Organic letters","2010","12","8","1656","1659","10.1021/ol100062b","","","1.54178","CuKα","","0.0432","0.0406","","","0.1111","0.1144","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502844","5.8975","0.0001","12.5457","0.0002","25.999","0.0004","90","","92.6152","0.0006","90","","1921.62","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O6 -","- C21 H25 N O6 -","- C84 H100 N4 O24 -","4","1","","Bogle, Katherine M.; Hirst, David J.; Dixon, Darren J.","Total synthesis of (+/-)-powelline and (+/-)-buphanidrine.","Organic letters","2010","12","6","1252","1254","10.1021/ol1000654","","","0.71073","MoKα","","0.0592","0.0411","","0.0975","0.0899","0.0975","","","","","","0.9348","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502845","24.6054","0.0004","7.0101","0.0001","15.5516","0.0002","90","","90","","90","","2682.44","0.07","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Mondal, Mukulesh; Ibrahim, Ahmad A.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Phosphine-catalyzed asymmetric synthesis of beta-lactones from arylketoketenes and aromatic aldehydes.","Organic letters","2010","12","8","1664","1667","10.1021/ol100075m","","","1.54178","CuKα","","0.056","0.0391","","","0.0956","0.1037","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502846","9.5125","0.0001","10.8526","0.0001","16.4229","0.0002","90","","90","","90","","1695.42","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C84 H60 N4 O16 -","4","1","","Mondal, Mukulesh; Ibrahim, Ahmad A.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Phosphine-catalyzed asymmetric synthesis of beta-lactones from arylketoketenes and aromatic aldehydes.","Organic letters","2010","12","8","1664","1667","10.1021/ol100075m","","","1.54178","CuKα","","0.0274","0.0266","","","0.0687","0.0694","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502847","8.608","0.002","26.375","0.006","18.924","0.005","90","","100.775","0.003","90","","4220.7","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O7.08 S -","- C22 H23 N O7.08 S -","- C176 H184 N8 O56.64 S8 -","8","2","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.0719","0.0433","","","0.095","0.108","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502848","17.335","0.004","14.557","0.003","9.2973","0.0019","90","","90","","90","","2346.1","0.9","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H24 N2 O5 S2 -","- C24 H24 N2 O5 S2 -","- C96 H96 N8 O20 S8 -","4","0.5","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.0669","0.0419","","","0.1126","0.1295","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502849","10.474","0.003","22.89","0.007","7.794","0.003","90","","109.796","0.003","90","","1758.2","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br N O4 S -","- C18 H18 Br N O4 S -","- C72 H72 Br4 N4 O16 S4 -","4","1","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.0746","0.0402","","","0.0817","0.0918","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502850","15.5229","0.0018","10.0293","0.0012","18.999","0.002","90","","113.179","0.001","90","","2719.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O8 S -","- C28 H35 N O8 S -","- C112 H140 N4 O32 S4 -","4","1","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.0501","0.0416","","","0.1121","0.1179","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502851","8.7615","0.0011","9.7378","0.0012","26.004","0.003","90","","90","","90","","2218.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O7 S -","- C23 H25 N O7 S -","- C92 H100 N4 O28 S4 -","4","1","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.039","0.0334","","","0.0787","0.081","","","","","","1.241","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502852","7.5859","0.0013","8.635","0.0015","18.433","0.003","84.251","0.002","81.606","0.002","85.071","0.001","1185.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O9 S -","- C24 H25 N O9 S -","- C48 H50 N2 O18 S2 -","2","1","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.0722","0.0466","","","0.1183","0.1328","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502853","7.649","0.003","11.673","0.004","24.726","0.004","90","","90","","90","","2207.7","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl 2-((3S)-2-acetyl-1-(ethoxycarbonyl)-3-(hydroxymethyl) -2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)malonate","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C88 H104 N8 O32 -","4","1","","Rannoux, Claire; Roussi, Fanny; Retailleau, Pascal; Guéritte, Françoise","Direct and selective functionalization of a tetrahydro-beta-carboline at position 4.","Organic letters","2010","12","6","1240","1243","10.1021/ol100094s","","","0.71069","MoKα","","0.0583","0.042","","","0.0988","0.1081","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502854","11.8548","0.0002","11.8548","0.0002","31.3077","0.0006","90","","90","","120","","3810.4","0.12","123.1","","","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25 H34 N2 O5 S -","- C25 H34 N2 O5 S -","- C150 H204 N12 O30 S6 -","6","1","","Hashimoto, Takuya; Nakatsu, Hiroki; Watanabe, Shogo; Maruoka, Keiji","Stereoselective synthesis of trisubstituted aziridines with N-alpha-diazoacyl camphorsultam.","Organic letters","2010","12","8","1668","1671","10.1021/ol100104v","","","1.54187","CuKα","","","0.0322","","","","0.0817","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502855","6.78085","0.00012","16.122","0.0003","18.0004","0.0003","90","","90","","90","","1967.82","0.06","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O5 S -","- C21 H26 N2 O5 S -","- C84 H104 N8 O20 S4 -","4","1","","Hashimoto, Takuya; Nakatsu, Hiroki; Watanabe, Shogo; Maruoka, Keiji","Stereoselective synthesis of trisubstituted aziridines with N-alpha-diazoacyl camphorsultam.","Organic letters","2010","12","8","1668","1671","10.1021/ol100104v","","","1.54187","CuKα","","","0.0301","","","","0.0761","","","","","","1.151","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502856","8.1176","0.0007","8.2044","0.0007","11.2871","0.0009","86.804","0.006","88.979","0.005","76.988","0.005","731.27","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N O3 P -","- C16 H18 N O3 P -","- C32 H36 N2 O6 P2 -","2","1","","Lu, Hongjian; Tao, Jingran; Jones, Jess E.; Wojtas, Lukasz; Zhang, X. Peter","Cobalt(II)-catalyzed intramolecular C-H amination with phosphoryl azides: formation of 6- and 7-membered cyclophosphoramidates.","Organic letters","2010","12","6","1248","1251","10.1021/ol100110z","","","1.54178","CuKα","","0.0541","0.0419","","","0.0992","0.106","","","","","","0.954","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502857","17.2209","0.0002","11.0759","0.0002","25.2187","0.0004","90","","90.108","0.001","90","","4810.13","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.375 H30.375 Cl1.125 N O5 P -","- C22.38 H30.375 Cl1.125 N O5 P -","- C179.04 H243 Cl9 N8 O40 P8 -","8","1","","Lu, Hongjian; Tao, Jingran; Jones, Jess E.; Wojtas, Lukasz; Zhang, X. Peter","Cobalt(II)-catalyzed intramolecular C-H amination with phosphoryl azides: formation of 6- and 7-membered cyclophosphoramidates.","Organic letters","2010","12","6","1248","1251","10.1021/ol100110z","","","1.54178","CuKα","","0.0447","0.0412","","","0.1075","0.1096","","","","","","1.08","","","","has coordinates","208246","2020-10-21","18:00:00",""
"1502858","15.0518","0.0019","7.8121","0.001","10.9784","0.0014","90","","127.009","0.002","90","","1030.8","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C48 H76 N4 O8 -","4","1","","Meyer, Angelica M.; Katz, Christopher E.; Li, Sze-Wan; Vander Velde, David; Aubé, Jeffrey","A tandem Prins/Schmidt reaction approach to marine alkaloids: formal and total syntheses of lepadiformines A and C.","Organic letters","2010","12","6","1244","1247","10.1021/ol100113r","","","0.71073","MoKα","","0.078","0.0687","","","0.1559","0.1619","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502859","8.0408","0.0012","9.8552","0.0016","11.1629","0.0018","82.241","0.004","71.089","0.003","83.872","0.004","827.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H31 N O2 -","- C18 H31 N O2 -","- C36 H62 N2 O4 -","2","1","","Meyer, Angelica M.; Katz, Christopher E.; Li, Sze-Wan; Vander Velde, David; Aubé, Jeffrey","A tandem Prins/Schmidt reaction approach to marine alkaloids: formal and total syntheses of lepadiformines A and C.","Organic letters","2010","12","6","1244","1247","10.1021/ol100113r","","","0.71073","MoKα","","0.0496","0.0449","","","0.1235","0.1283","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502860","10.3491","0.0004","13.9142","0.0006","14.5174","0.0007","90","","92.506","0.002","90","","2088.5","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H42 N2 O6 S -","- C46 H42 N2 O6 S -","- C92 H84 N4 O12 S2 -","2","1","","Chen, Wen-Ching; Lee, Yi-Wei; Chen, Chien-Tien","Diastereoselective, synergistic dual-mode optical switch with integrated chirochromic helicene and photochromic bis-azobenzene moieties.","Organic letters","2010","12","7","1472","1475","10.1021/ol100117s","","","0.71073","MoKα","","0.1514","0.1055","","","0.2481","0.2774","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502861","15.0278","0.0004","8.3561","0.0003","15.8925","0.0005","90","","113.371","0.002","90","","1831.95","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H46 N2 O2 S -","- C46 H46 N2 O2 S -","- C92 H92 N4 O4 S2 -","2","1","","Chen, Wen-Ching; Lee, Yi-Wei; Chen, Chien-Tien","Diastereoselective, synergistic dual-mode optical switch with integrated chirochromic helicene and photochromic bis-azobenzene moieties.","Organic letters","2010","12","7","1472","1475","10.1021/ol100117s","","","0.71073","MoKα","","0.1651","0.0905","","","0.1941","0.2535","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502862","10.9995","0.0003","14.5737","0.0004","12.0336","0.0004","90","","95.381","0.001","90","","1920.53","0.1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H40 N2 O6 -","- C46 H40 N2 O6 -","- C92 H80 N4 O12 -","2","1","","Chen, Wen-Ching; Lee, Yi-Wei; Chen, Chien-Tien","Diastereoselective, synergistic dual-mode optical switch with integrated chirochromic helicene and photochromic bis-azobenzene moieties.","Organic letters","2010","12","7","1472","1475","10.1021/ol100117s","","","0.71073","MoKα","","0.1088","0.074","","","0.1582","0.1959","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502863","6.5394","0.0011","7.6922","0.0012","28.463","0.005","90","","90","","90","","1431.8","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O S Si -","- C13 H20 O S Si -","- C52 H80 O4 S4 Si4 -","4","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0331","0.0309","","","0.0684","0.0698","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502864","6.5761","0.0011","7.7174","0.0014","29.566","0.006","90","","90","","90","","1500.5","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O S Si -","- C14 H22 O S Si -","- C56 H88 O4 S4 Si4 -","4","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0362","0.0338","","","0.0773","0.0796","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502865","9.4119","0.0016","9.3243","0.0015","12.776","0.002","90","","106.893","0.004","90","","1072.8","0.3","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 Br O3 Si -","- C21 H27 Br O3 Si -","- C42 H54 Br2 O6 Si2 -","2","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0401","0.034","","","0.0669","0.0705","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502866","11.058","0.0006","6.1283","0.0003","16.6542","0.0008","90","","103.318","0.001","90","","1098.25","0.1","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H23 Cl N2 O6 Si -","- C20 H23 Cl N2 O6 Si -","- C40 H46 Cl2 N4 O12 Si2 -","2","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0298","0.0268","","","0.0647","0.0662","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502867","6.551","0.0001","17.5144","0.0004","10.7025","0.0003","90","","90.7342","0.001","90","","1227.87","0.05","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","Guajadial","","","- C30 H34 O5 -","- C30 H34 O5 -","- C60 H68 O10 -","2","1","","Lawrence, Andrew L.; Adlington, Robert M.; Baldwin, Jack E.; Lee, Victor; Kershaw, Jessica A.; Thompson, Amber L.","A short biomimetic synthesis of the meroterpenoids guajadial and psidial A.","Organic letters","2010","12","8","1676","1679","10.1021/ol100138k","","","0.71073","MoKα","","0.0772","0.0689","","0.1666","0.1575","0.1666","","","","","","0.935","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502868","11.1537","0.0001","11.1537","0.0001","40.4908","0.0003","90","","90","","90","","5037.26","0.07","150","","150","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","Psidial A","","","- C30 H34 O5 -","- C30 H34 O5 -","- C240 H272 O40 -","8","1","","Lawrence, Andrew L.; Adlington, Robert M.; Baldwin, Jack E.; Lee, Victor; Kershaw, Jessica A.; Thompson, Amber L.","A short biomimetic synthesis of the meroterpenoids guajadial and psidial A.","Organic letters","2010","12","8","1676","1679","10.1021/ol100138k","","","0.71073","MoKα","","0.0358","0.0323","","0.0751","0.0739","0.0751","","","","","","1.0045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502869","10.264","0.004","9.801","0.004","13.252","0.006","90","","97.013","0.006","90","","1323.1","1","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Liu, Yongxiang; Xu, Wenqing; Wang, Xiang","Gold(I)-catalyzed tandem cyclization approach to tetracyclic indolines.","Organic letters","2010","12","7","1448","1451","10.1021/ol100153h","","","0.71073","MoKα","","0.0741","0.0488","","","0.1066","0.1191","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502870","11.123","0.002","13.112","0.003","21.321","0.004","90","","90","","90","","3109.6","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 B2 F4 N2 O2 -","- C40 H28 B2 F4 N2 O2 -","- C160 H112 B8 F16 N8 O8 -","4","1","","Zhou, Ying; Kim, Ji Whan; Kim, Min Jung; Son, Won-Joon; Han, Su Jung; Kim, Ha Na; Han, Seungwu; Kim, Youngmee; Lee, Chongmok; Kim, Sung-Jin; Kim, Dong Ha; Kim, Jang-Joo; Yoon, Juyoung","Novel bi-nuclear boron complex with pyrene ligand: red-light emitting as well as electron transporting material in organic light-emitting diodes.","Organic letters","2010","12","6","1272","1275","10.1021/ol100160d","","","0.71073","MoKα","","0.1108","0.0352","","","0.0478","0.0525","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502871","10.7635","0.0012","10.9523","0.0012","25.753","0.003","90","","90","","90","","3035.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Br N2 O2 -","- C34 H31 Br N2 O2 -","- C136 H124 Br4 N8 O8 -","4","1","","Zheng, Bao-Hui; Ding, Chang-Hua; Hou, Xue-Long; Dai, Li-Xin","Ag-Catalyzed diastereo- and enantioselective synthesis of beta-substituted tryptophans from sulfonylindoles.","Organic letters","2010","12","8","1688","1691","10.1021/ol100161n","","","0.71073","MoKα","","0.1164","0.0437","","","0.0866","0.1074","","","","","","0.888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502872","20.425","0.005","8.0342","0.0019","11.639","0.003","90","","102.867","0.004","90","","1862","0.8","125","2","125","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","1","","Solomon, Marissa R.; Sivaguru, J.; Jockusch, Steffen; Adam, Waldemar; Turro, Nicholas J.","Decoding stereocontrol during the photooxygenation of oxazolidinone-functionalized enecarbamates.","Organic letters","2010","12","9","2142","2145","10.1021/ol100174r","","","0.71073","MoKα","","0.1623","0.0711","","","0.1473","0.178","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502873","13.6286","0.0004","10.5494","0.0003","16.1848","0.0005","90","","104.647","0.001","90","","2251.33","0.12","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H66 O4 Si2 -","- C46 H66 O4 Si2 -","- C92 H132 O8 Si4 -","2","0.5","","VanVeller, Brett; Miki, Koji; Swager, Timothy M.","Rigid hydrophilic structures for improved properties of conjugated polymers and nitrotyrosine sensing in water.","Organic letters","2010","12","6","1292","1295","10.1021/ol1001768","","","0.71073","MoKα","","0.0498","0.0443","","","0.1167","0.1222","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502874","9.0065","0.0004","12.0657","0.0006","12.5677","0.0006","93.446","0.001","94.118","0.001","105.057","0.001","1311.03","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H86 O10 Si2 -","- C54 H86 O10 Si2 -","- C54 H86 O10 Si2 -","1","0.5","","VanVeller, Brett; Miki, Koji; Swager, Timothy M.","Rigid hydrophilic structures for improved properties of conjugated polymers and nitrotyrosine sensing in water.","Organic letters","2010","12","6","1292","1295","10.1021/ol1001768","","","0.71073","MoKα","","0.0425","0.0377","","","0.1005","0.1053","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502875","16.6965","0.0006","11.846","0.0004","26.3464","0.0009","90","","98.013","0.001","90","","5160.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H73 O12 Os2 Si2 -","- C49 H73 O12 Os2 Si2 -","- C196 H292 O48 Os8 Si8 -","4","1","","VanVeller, Brett; Miki, Koji; Swager, Timothy M.","Rigid hydrophilic structures for improved properties of conjugated polymers and nitrotyrosine sensing in water.","Organic letters","2010","12","6","1292","1295","10.1021/ol1001768","","","0.71073","MoKα","","0.0249","0.0207","","","0.0468","0.0486","","","","","","1.089","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502876","12.7591","0.0007","13.1605","0.0007","14.769","0.0007","70.182","0.002","76.378","0.002","74.595","0.003","2220.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H70 O8 Si2 -","- C46 H70 O8 Si2 -","- C92 H140 O16 Si4 -","2","1","","VanVeller, Brett; Miki, Koji; Swager, Timothy M.","Rigid hydrophilic structures for improved properties of conjugated polymers and nitrotyrosine sensing in water.","Organic letters","2010","12","6","1292","1295","10.1021/ol1001768","","","1.54178","CuKα","","0.0488","0.0457","","","0.117","0.1201","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502877","14.7933","0.001","18.552","0.0014","19.4094","0.0013","62.168","0.003","79.797","0.003","88.043","0.003","4628.9","0.6","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H68 Si2 -","- C60 H68 Si2 -","- C240 H272 Si8 -","4","2","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","1.54178","CuKα","","0.0902","0.0727","","","0.1998","0.2131","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502878","15.3659","0.0002","16.6076","0.0002","23.6656","0.0004","94.914","0.0005","96.4665","0.0006","100.734","0.0006","5860.54","0.14","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C102 H148 Cl6 Si16 -","- C102 H148 Cl6 Si16 -","- C204 H296 Cl12 Si32 -","2","1","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","0.71073","MoKα","","0.0957","0.0587","","","0.1473","0.1647","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502879","14.079","0.0007","14.7642","0.0008","23.8779","0.0012","90","","99.938","0.002","90","","4888.9","0.4","90","0.2","90","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C108 H136 Si4 -","- C108 H136 Si4 -","- C216 H272 Si8 -","2","1","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","1.54178","CuKα","","0.0692","0.0617","","","0.165","0.1756","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502880","10.6166","0.0005","14.4156","0.0007","17.9265","0.0008","110.544","0.002","93.866","0.002","103.166","0.002","2468.7","0.2","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C114 H150 Si4 -","- C114 H150 Si4 -","- C114 H150 Si4 -","1","0.5","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","1.54178","CuKα","","0.113","0.0985","","","0.2551","0.2709","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502881","13.0676","0.0002","18.3378","0.0003","20.1377","0.0004","90","","108.235","0.0008","90","","4583.28","0.14","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 Si2 -","- C54 H68 Si2 -","- C216 H272 Si8 -","4","1","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","0.71073","MoKα","","0.1449","0.0794","","","0.1992","0.2386","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502882","11.6223","0.0008","14.2257","0.001","17.1922","0.0011","99.376","0.003","109.161","0.003","91.558","0.003","2639.2","0.3","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H80 Si2 -","- C66 H80 Si2 -","- C132 H160 Si4 -","2","1","","Purushothaman, Balaji; Parkin, Sean R.; Anthony, John E.","Synthesis and stability of soluble hexacenes.","Organic letters","2010","12","9","2060","2063","10.1021/ol100178s","","","1.54178","CuKα","","0.0941","0.0671","","","0.1681","0.1867","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502883","17.1435","0.0006","10.1913","0.0005","10.6419","0.0004","90","","109.586","0.002","90","","1751.71","0.13","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H19 Cl N2 O2 -","- C20 H19 Cl N2 O2 -","- C80 H76 Cl4 N8 O8 -","4","1","","Wang, Xu-Fan; Chen, Jia-Rong; Cao, Yi-Ju; Cheng, Hong-Gang; Xiao, Wen-Jing","An enantioselective approach to highly substituted tetrahydrocarbazoles through hydrogen bonding-catalyzed cascade reactions.","Organic letters","2010","12","5","1140","1143","10.1021/ol1001818","","","0.71073","MoKα","","0.076","0.056","","","0.1239","0.149","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502884","7.13575","0.00015","11.5318","0.0003","16.6052","0.0004","90","","95.8187","0.0014","90","","1359.37","0.06","103.1","","103.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Kawato, Yuji; Takahashi, Noriko; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric conjugate addition of alpha-cyanoketones for the construction of a quaternary stereogenic center.","Organic letters","2010","12","7","1484","1487","10.1021/ol100183s","","","1.54187","CuKα","","","0.0483","","","","0.1246","","","","","","0.975","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502885","5.91964","0.00011","8.88008","0.00016","37.613","0.003","90","","90","","90","","1977.2","0.17","153.1","","153.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O2 -","- C23 H24 Br N O2 -","- C92 H96 Br4 N4 O8 -","4","1","","Kawato, Yuji; Takahashi, Noriko; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric conjugate addition of alpha-cyanoketones for the construction of a quaternary stereogenic center.","Organic letters","2010","12","7","1484","1487","10.1021/ol100183s","","","1.54187","CuKα","","","0.0251","","","","0.0617","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502886","7.55942","0.00017","11.8178","0.0003","33.4709","0.0008","90","","90","","90","","2990.15","0.12","93.1","","93.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","2","","Kawato, Yuji; Takahashi, Noriko; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric conjugate addition of alpha-cyanoketones for the construction of a quaternary stereogenic center.","Organic letters","2010","12","7","1484","1487","10.1021/ol100183s","","","1.54187","CuKα","","","0.0553","","","","0.146","","","","","","1.057","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502887","13.7376","0.0015","16.7733","0.0018","19.374","0.002","79.133","0.002","86.956","0.002","79.334","0.002","4307.7","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H89 F24 N15 O4 P4 -","- C78 H88.55 F24 N15 O4 P4 -","- C156 H177.1 F48 N30 O8 P8 -","2","1","","Koshkakaryan, Gayane; Cao, Dennis; Klivansky, Liana M.; Teat, Simon J.; Tran, Jasper L.; Liu, Yi","Dual selectivity expressed in [2 + 2 + 1] dynamic clipping of unsymmetrical [2]catenanes.","Organic letters","2010","12","7","1528","1531","10.1021/ol100215c","","","0.7749","synchrotron","","0.1039","0.0707","","","0.1862","0.2091","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502888","13.4848","0.0007","14.4359","0.0007","22.2157","0.0016","101.795","0.004","98.237","0.004","104.531","0.003","4010.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MA30","frechet08","","- C74 H81 F24 N11 O5 P4 -","- C74 H79 F24 N11 O5 P4 -","- C148 H158 F48 N22 O10 P8 -","2","1","","Koshkakaryan, Gayane; Cao, Dennis; Klivansky, Liana M.; Teat, Simon J.; Tran, Jasper L.; Liu, Yi","Dual selectivity expressed in [2 + 2 + 1] dynamic clipping of unsymmetrical [2]catenanes.","Organic letters","2010","12","7","1528","1531","10.1021/ol100215c","","","1.54178","CuKα","","0.0889","0.081","","","0.2172","0.225","","","","","","1.022","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"1502889","12.1392","0.0007","9.3921","0.0005","10.1486","0.0005","90","","96.634","0.001","90","","1149.32","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Li, Xinyu; Li, Cheng; Zhang, Wenjing; Lu, Xiang; Han, Shiqing; Hong, Ran","Highly stereoselective 7-endo-trig/ring contraction cascade to construct pyrrolo[1,2-a]quinoline derivatives.","Organic letters","2010","12","8","1696","1699","10.1021/ol100220c","","","0.71073","MoKα","","0.0535","0.0395","","","0.1047","0.1182","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502890","7.1065","0.0004","6.9716","0.0004","24.0669","0.0013","90","","104.243","0.003","90","","1155.71","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Li, Xinyu; Li, Cheng; Zhang, Wenjing; Lu, Xiang; Han, Shiqing; Hong, Ran","Highly stereoselective 7-endo-trig/ring contraction cascade to construct pyrrolo[1,2-a]quinoline derivatives.","Organic letters","2010","12","8","1696","1699","10.1021/ol100220c","","","0.71073","MoKα","","0.0803","0.0783","","","0.1736","0.1743","","","","","","1.195","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502891","13.8985","0.0006","14.4684","0.0006","17.6975","0.0007","90","","114.023","0.002","90","","3250.5","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phosphafluorene","","","- C42 H33 O4 P -","- C42 H33 O4 P -","- C168 H132 O16 P4 -","4","1","","Fukawa, Naohiro; Osaka, Takuya; Noguchi, Keiichi; Tanaka, Ken","Asymmetric synthesis and photophysical properties of benzopyrano- or naphthopyrano-fused helical phosphafluorenes.","Organic letters","2010","12","6","1324","1327","10.1021/ol100227k","","","1.54187","CuKα","","0.161","0.09","","","0.2136","0.2399","","","","","","1.442","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502892","14.89","0.005","8.125","0.003","19.134","0.007","90","","112.53","0.004","90","","2138.2","1.3","173","2","173","2","","","100","","","","Synthetic","5","P 1 21 1","P 2yb","4","sa250","(±)-(1R,2S,7S)- 2-Benzyl -6-methylene-N-tosyl 3-aza-bicyclo[5.3.0]decane","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C96 H116 N4 O8 S4 -","4","2","","Li, Qian; Jiang, Guo-Jie; Jiao, Lei; Yu, Zhi-Xiang","Reaction of alpha-ene-vinylcyclopropanes: type II intramolecular [5+2] cycloaddition or [3+2] cycloaddition?","Organic letters","2010","12","6","1332","1335","10.1021/ol100237h","","","0.71073","MoKα","","0.0694","0.0613","","","0.1181","0.1239","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502893","8.4158","0.0017","9.0268","0.0018","11.505","0.002","78.21","0.03","86.73","0.03","65.64","0.03","779","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 N O2 S -","- C17 H21 N O2 S -","- C34 H42 N2 O4 S2 -","2","1","","Li, Qian; Jiang, Guo-Jie; Jiao, Lei; Yu, Zhi-Xiang","Reaction of alpha-ene-vinylcyclopropanes: type II intramolecular [5+2] cycloaddition or [3+2] cycloaddition?","Organic letters","2010","12","6","1332","1335","10.1021/ol100237h","","","0.71073","MoKα","","0.0609","0.0531","","","0.1215","0.1252","","","","","","1.199","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502894","9.5014","0.0019","16.309","0.003","10.359","0.002","90","","112.37","0.03","90","","1484.4","0.6","173","2","173","2","","","100","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","sx2702","Cis-5-Methylene-N-tosyl 3-azabicyclo[4.3.0]nonane","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Li, Qian; Jiang, Guo-Jie; Jiao, Lei; Yu, Zhi-Xiang","Reaction of alpha-ene-vinylcyclopropanes: type II intramolecular [5+2] cycloaddition or [3+2] cycloaddition?","Organic letters","2010","12","6","1332","1335","10.1021/ol100237h","","","0.71073","MoKα","","0.1155","0.0777","","","0.1196","0.1304","","","","","","1.257","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502895","9.3669","0.0004","18.7512","0.0007","11.2466","0.0004","90","","111.507","0.0013","90","","1837.82","0.12","123.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cl4 Ga2 P2 -","- C36 H42 Cl4 Ga2 P2 -","- C72 H84 Cl8 Ga4 P4 -","2","0.5","","Kiyokawa, Kensuke; Yasuda, Makoto; Baba, Akio","Cyclopropylmethylation of benzylic and allylic chlorides with cyclopropylmethylstannane catalyzed by gallium or indium halide.","Organic letters","2010","12","7","1520","1523","10.1021/ol100240b","","","0.71075","MoKα","","","0.0419","","","","0.0848","","","","","","1.115","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502896","7.9979","0.0004","7.4197","0.0004","19.3497","0.0009","90","","92.978","0.002","90","","1146.7","0.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Oh, Chang Ho; Lee, Sung Min; Hong, Chang Seop","Pt-catalyzed hydrative cyclization of 2-enynylbenzaldehydes and its application to faveline synthesis.","Organic letters","2010","12","6","1308","1311","10.1021/ol100255z","","","0.71073","MoKα","","0.0661","0.0469","","","0.1147","0.1264","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502897","9.572","0.0006","13.652","0.0008","19.809","0.0015","90","","90","","90","","2588.6","0.3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C120 H136 N8 O24 -","8","1","","DeLorbe, John E.; Lotz, Monica D.; Martin, Stephen F.","Concise total synthesis of (+/-)-lycopladine A.","Organic letters","2010","12","7","1576","1579","10.1021/ol100273p","","","0.7107","MoKα","","0.0847","0.0492","","","0.102","0.116","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502898","11.1591","0.0001","15.2961","0.0001","18.7549","0.0002","90","","90","","90","","3201.29","0.05","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 O13 -","- C31 H42 O13 -","- C124 H168 O52 -","4","1","","Wang, Sujuan; Lin, Sheng; Zhu, Chenggen; Yang, Yongchun; Li, Shuai; Zhang, Jianjun; Chen, Xiaoguang; Shi, Jiangong","Highly acylated diterpenoids with a new 3,4-secograyanane skeleton from the flower buds of Rhododendron molle.","Organic letters","2010","12","7","1560","1563","10.1021/ol1002797","","","1.54178","CuKα","","0.0357","0.0353","","","0.097","0.0975","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502899","11.307","0.004","11.307","0.004","27.871","0.01","90","","90","","120","","3085.9","1.9","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C17 H16 Br N2 O6 S -","- C17 H16 Br N2 O6 S -","- C102 H96 Br6 N12 O36 S6 -","6","1","","Jiang, Xianxing; Zhang, Gen; Fu, Dan; Cao, Yiming; Shen, Fangfang; Wang, Rui","Direct organocatalytic asymmetric aldol reaction of alpha-isothiocyanato imides to alpha-ketoesters under low ligand loading: a doubly stereocontrolled approach to cyclic thiocarbamates bearing chiral quaternary stereocenters.","Organic letters","2010","12","7","1544","1547","10.1021/ol1002829","","","0.71073","MoKα","","0.1869","0.0575","","","0.1187","0.1687","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502900","29.196","0.01","11.506","0.004","19.556","0.007","90","","123.663","0.005","90","","5468","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N4 O6 S -","- C28 H30 N4 O6 S -","- C224 H240 N32 O48 S8 -","8","1","","Jones, Amanda L.; Snyder, John K.","Synthesis of unique scaffolds via Diels-Alder cycloadditions of tetrasubstituted cyclohexadienes.","Organic letters","2010","12","7","1592","1595","10.1021/ol100318f","","","0.71073","MoKα","","0.0666","0.0408","","","0.1031","0.1262","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502901","17.1179","0.0006","16.3282","0.0006","17.0034","0.0006","90","","97.574","0.002","90","","4711.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N3 O5 -","- C28 H27 N3 O5 -","- C224 H216 N24 O40 -","8","2","","Jones, Amanda L.; Snyder, John K.","Synthesis of unique scaffolds via Diels-Alder cycloadditions of tetrasubstituted cyclohexadienes.","Organic letters","2010","12","7","1592","1595","10.1021/ol100318f","","","0.71073","MoKα","","0.0778","0.0457","","","0.1111","0.1317","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502902","11.3919","0.0002","28.3759","0.0006","18.3852","0.0005","90","","95.9248","0.0014","90","","5911.4","0.2","173","","173","","","","","","","","LOC ETH Zurich","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 S -","- C12 H15 N O2 S -","- C240 H300 N20 O40 S20 -","20","5","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.1633","0.0725","","","0.1642","0.214","","","","","","1.017","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502903","20.724","0.0008","5.8436","0.0002","10.4288","0.0004","90","","90","","90","","1262.96","0.08","173","","173","","","","","","","","LOC ETH Zurich","6","P n a 21","P 2c -2n","33","","(4-bomophenyl)(1,1-dioxo-1-thia-6-azaspiro[3.3]heptan-6-yl)methanone","","- C12 H12 Br N O3 S -","- C12 H12 Br N O3 S -","- C48 H48 Br4 N4 O12 S4 -","4","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.0333","0.0313","","","0.0917","0.0952","","","","","","0.791","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502904","8.0257","0.0001","11.3647","0.0002","12.6017","0.0002","90.2638","0.0006","91.1398","0.0007","106.705","0.0007","1100.61","0.03","123","","123","","","","","","","","LOC ETH Zurich","5","P -1","-P 1","2","","","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C48 H48 Br4 N4 O8 -","4","2","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.0348","0.0305","","","0.0994","0.1061","","","","","","0.873","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502905","16.3389","0.0005","17.2034","0.0006","6.701","0.0002","90","","100.42","0.002","90","","1852.49","0.1","173","","173","","","","","","","","LOC ETH Zurich","6","P 1 21/c 1","-P 2ybc","14","","(4-bromophenyl)(6-tosyl-1,6-diazaspiro[3.3]heptan-1-yl)methanone","","- C19 H19 Br N2 O3 S -","- C19 H19 Br N2 O3 S -","- C76 H76 Br4 N8 O12 S4 -","4","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.0721","0.0466","","","0.134","0.1546","","","","","","0.977","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502906","9.9717","0.0003","8.8126","0.0003","25.5594","0.0011","90","","90","","90","","2246.07","0.14","173","","173","","","","","","","","LOC ETH Zurich","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N O2 -","- C12 H12 Br N O2 -","- C96 H96 Br8 N8 O16 -","8","1","","Burkhard, Johannes A.; Guérot, Carine; Knust, Henner; Rogers-Evans, Mark; Carreira, Erick M.","Synthesis and structural analysis of a new class of azaspiro[3.3]heptanes as building blocks for medicinal chemistry.","Organic letters","2010","12","9","1944","1947","10.1021/ol1003302","","","0.71073","MoKα","","0.0853","0.0467","","","0.1216","0.1472","","","","","","0.886","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502907","8.465","0.003","9.532","0.003","19.588","0.007","90","","101.51","0.006","90","","1548.7","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Zhang, Zhi-Wei; Li, Wei-Dong Z","A facile total synthesis of hainanensine via an unusual rearrangement‒annulation cascade.","Organic letters","2010","12","8","1649","1651","10.1021/ol1003324","","","0.71073","MoKα","","0.0922","0.0502","","","0.1215","0.1459","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502908","12.266","0.003","12.266","0.003","23.225","0.005","90","","90","","90","","3494.3","1.4","123.1","","","","","","","","","","","8","P 43","P 4cw","78","","","","- C36 H37 Ag Fe N3 O3 P S -","- C36 H36 Ag Fe N3 O3 P S -","- C144 H144 Ag4 Fe4 N12 O12 P4 S4 -","4","1","","Oura, Ichiro; Shimizu, Kenta; Ogata, Kenichi; Fukuzawa, Shin-Ichi","Highly endo-selective and enantioselective 1,3-dipolar cycloaddition of azomethine ylide with alpha-enones catalyzed by a silver(I)/ThioClickFerrophos complex.","Organic letters","2010","12","8","1752","1755","10.1021/ol100336q","","","0.7107","MoKα","","","0.0547","","","","0.1261","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502909","10.478","0.003","10.566","0.003","28.685","0.008","90","","90","","90","","3175.7","1.6","123.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 Fe N3 P S -","- C36 H36 Fe N3 P S -","- C144 H144 Fe4 N12 P4 S4 -","4","1","","Oura, Ichiro; Shimizu, Kenta; Ogata, Kenichi; Fukuzawa, Shin-Ichi","Highly endo-selective and enantioselective 1,3-dipolar cycloaddition of azomethine ylide with alpha-enones catalyzed by a silver(I)/ThioClickFerrophos complex.","Organic letters","2010","12","8","1752","1755","10.1021/ol100336q","","","0.7107","MoKα","","","0.062","","","","0.1965","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502910","8.817","0.002","9.476","0.002","21.33","0.005","90","","90","","90","","1782.1","0.7","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O3 -","- C20 H20 Cl N O3 -","- C80 H80 Cl4 N4 O12 -","4","1","","Oura, Ichiro; Shimizu, Kenta; Ogata, Kenichi; Fukuzawa, Shin-Ichi","Highly endo-selective and enantioselective 1,3-dipolar cycloaddition of azomethine ylide with alpha-enones catalyzed by a silver(I)/ThioClickFerrophos complex.","Organic letters","2010","12","8","1752","1755","10.1021/ol100336q","","","0.7107","MoKα","","","0.0442","","","","0.1057","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502911","42.39","0.003","22.0472","0.0015","42.441","0.003","90","","116.159","0.002","90","","35602","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C210 H216 N26 O10 -","- C210 H216.001 N26 O10 -","- C1680 H1728.01 N208 O80 -","8","2","","Chas, Marcos; Gil-Ramírez, Guzmán; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Ballester, Pablo","Efficient self-sorting of a racemic tetra-urea calix[4]pyrrole into a single heterodimeric capsule.","Organic letters","2010","12","8","1740","1743","10.1021/ol100341q","","","0.71073","MoKα","","0.0972","0.0685","","","0.1714","0.1978","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502912","13.3623","0.001","8.7047","0.0004","13.9012","0.0012","90","","100.174","0.01","90","","1591.5","0.2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C84 H64 O16 -","4","1","","Guin, Joyram; Besnard, Céline; Lacour, Jérôme","Synthesis, resolution, and stabilities of a cationic chromenoxanthene [4]helicene.","Organic letters","2010","12","8","1748","1751","10.1021/ol1003466","","","0.71073","MoKα","","0.0664","0.0363","","0.068","0.0556","0.0679","","","","","","0.9429","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502913","7.0476","0.0002","11.747","0.0004","18.4424","0.0006","90","","90","","90","","1526.81","0.08","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-7-isopropyl-3-phenyl-2,3-dihydroimidazo[5,1-b]oxazolium iodide","","","- C15 H19 I N2 O -","- C15 H19 I N2 O -","- C60 H76 I4 N8 O4 -","4","1","","Yoshida, Kazuhiro; Horiuchi, Shingo; Takeichi, Tomoko; Shida, Hiroaki; Imamoto, Tsuneo; Yanagisawa, Akira","Bicyclic imidazoles for modular synthesis of chiral imidazolium salts.","Organic letters","2010","12","8","1764","1767","10.1021/ol1003737","","","0.71073","MoKα","","0.0164","0.0158","","","0.0343","0.0345","","","","","","1.372","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502914","9.2702","0.0007","15.574","0.0012","22.6712","0.0017","90","","90","","90","","3273.1","0.4","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(R,R)-2,6-Bis(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazolium-2-yl)lutidine]chloronickel tetrafluoroborate","","","- C32 H31 B Cl3 F4 N5 Ni -","- C32 H31 B Cl3 F4 N5 Ni -","- C128 H124 B4 Cl12 F16 N20 Ni4 -","4","1","","Yoshida, Kazuhiro; Horiuchi, Shingo; Takeichi, Tomoko; Shida, Hiroaki; Imamoto, Tsuneo; Yanagisawa, Akira","Bicyclic imidazoles for modular synthesis of chiral imidazolium salts.","Organic letters","2010","12","8","1764","1767","10.1021/ol1003737","","","0.71073","MoKα","","0.0773","0.053","","","0.1322","0.1445","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502915","6.25173","0.00011","10.8641","0.0002","32.1254","0.0006","90","","94.065","0.001","90","","2176.45","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3S*,4R*)-(E)-3,4-dimethyl-1-phenyl-3-pivaloyloxy-6-(trimethylsilyl)-1-hexen-5-yn","","- C22 H32 O2 Si -","- C22 H32 O2 Si -","- C88 H128 O8 Si4 -","4","1","","Yatsumonji, Yasutaka; Sugita, Takenori; Tsubouchi, Akira; Takeda, Takeshi","Preparation of syn-tertiary homoallylic alcohols utilizing allenyltitanocenes generated by reductive titanation of gamma-trimethylsilylpropargylic carbonates.","Organic letters","2010","12","9","1968","1971","10.1021/ol100395n","","","1.54187","CuKα","","0.0493","0.0458","","","0.1147","0.1169","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502916","10.1139","0.0003","11.3708","0.0004","10.8402","0.0004","90","","98.848","0.002","90","","1231.82","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R*,4S*)-3-Methyl-4-(4-trifluoromethylphenyl)-4-pentanolide","","- C13 H13 F3 O2 -","- C13 H13 F3 O2 -","- C52 H52 F12 O8 -","4","1","","Yatsumonji, Yasutaka; Sugita, Takenori; Tsubouchi, Akira; Takeda, Takeshi","Preparation of syn-tertiary homoallylic alcohols utilizing allenyltitanocenes generated by reductive titanation of gamma-trimethylsilylpropargylic carbonates.","Organic letters","2010","12","9","1968","1971","10.1021/ol100395n","","","1.54187","CuKα","","0.0552","0.0516","","","0.133","0.1359","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502917","14.843","0.0003","24.4118","0.0005","32.8037","0.0006","90","","95.254","0.001","90","","11836.3","0.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C119.5 H174 N8 O23.5 -","- C119.5 H174 N8 O23.5 -","- C478 H696 N32 O94 -","4","0.5","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Piperazine bridged resorcinarene cages.","Organic letters","2010","12","7","1392","1395","10.1021/ol100407f","","","0.71073","MoKα","","0.1325","0.0729","","","0.1435","0.1708","","","","","","1.02","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502918","14.8499","0.0002","23.0759","0.0003","34.3415","0.0005","90","","99.455","0.001","90","","11608.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C117.5 H170.9 N8 O21.5 -","- C117.5 H170.9 N8 O21.49 -","- C470 H683.6 N32 O85.96 -","4","1","","Beyeh, N. Kodiah; Valkonen, Arto; Rissanen, Kari","Piperazine bridged resorcinarene cages.","Organic letters","2010","12","7","1392","1395","10.1021/ol100407f","","","0.71073","MoKα","","0.159","0.1064","","","0.2545","0.2919","","","","","","1.055","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502919","18.189","0.0004","10.0277","0.0002","9.4674","0.0002","90","","93.858","0.002","90","","1722.88","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Saha, Pipas; Reddy, U. C.; Bondalapati, S.; Saikia, Anil K.","A novel synthesis of oxabicyclo[3.3.1]nonanone via (3,5)-oxonium-ene reaction.","Organic letters","2010","12","8","1824","1826","10.1021/ol1004092","","","0.71073","MoKα","","0.088","0.0507","","","0.1505","0.166","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502920","13.341","0.004","14.609","0.005","16.419","0.009","105.126","0.014","112.399","0.014","103.261","0.01","2655","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H45.5 N6.5 O7.5 Zn -","- C53.5 H45.5 N6.5 O7.5 Zn -","- C107 H91 N13 O15 Zn2 -","2","1","","Zhou, Zaichun; Cao, Chenzhong; Liu, Qiuhua; Jiang, Rongqing","Hybrid orbital deformation (HOD) effect and spectral red-shift property of nonplanar porphyrin.","Organic letters","2010","12","8","1780","1783","10.1021/ol100434w","","","0.71073","MoKα","","0.0799","0.0597","","","0.1939","0.2044","","","","","","1.027","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502921","10.7478","0.0002","12.6636","0.0003","26.7573","0.0006","90","","90","","90","","3641.82","0.14","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","complex4","complex4","","- C17 H28 Cl N2 Rh -","- C17 H28 Cl N2 Rh -","- C136 H224 Cl8 N16 Rh8 -","8","1","","Kim, Min; Chang, Sukbok","Rhodium(NHC)-catalyzed amination of aryl bromides.","Organic letters","2010","12","7","1640","1643","10.1021/ol100437j","","","0.71073","MoKα","","0.035","0.0287","","","0.0645","0.0668","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502922","21.878","0.0014","8.1149","0.0005","12.6652","0.0008","90","","105.15","0.001","90","","2170.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","08228a","","","- C20 H30 N2 O4 S Si -","- C20 H30 N2 O4 S Si -","- C80 H120 N8 O16 S4 Si4 -","4","1","","Dekorver, Kyle A.; Hsung, Richard P.; Lohse, Andrew G.; Zhang, Yu","A divergent mechanistic course of Pd(0)-catalyzed aza-Claisen rearrangement and aza-Rautenstrauch-type cyclization of N-allyl ynamides.","Organic letters","2010","12","8","1840","1843","10.1021/ol100446p","","","0.71073","MoKα","","0.0437","0.0344","","","0.0906","0.0946","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502923","8.5547","0.0009","10.0913","0.0011","11.0298","0.0012","62.869","0.001","70.922","0.001","79.74","0.001","800.39","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","10025a","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C36 H34 N2 O4 S2 -","2","1","","Dekorver, Kyle A.; Hsung, Richard P.; Lohse, Andrew G.; Zhang, Yu","A divergent mechanistic course of Pd(0)-catalyzed aza-Claisen rearrangement and aza-Rautenstrauch-type cyclization of N-allyl ynamides.","Organic letters","2010","12","8","1840","1843","10.1021/ol100446p","","","0.71073","MoKα","","0.0513","0.0368","","","0.0866","0.0952","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502924","29.021","0.005","10.712","0.005","49.322","0.005","90","0.005","98.552","0.005","90","0.005","15162","8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C134 H149 N9 Zn2 -","- C134 H149 N9 Zn2 -","- C536 H596 N36 Zn8 -","4","0.5","","Maeda, Chihiro; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of meso,meso'-pyrrole-bridged diporphyrins by Cu(I)-mediated annulation.","Organic letters","2010","12","8","1820","1823","10.1021/ol100448x","","","0.71069","MoKα","","0.153","0.093","","","0.2347","0.2553","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502925","7.206","0.0011","7.0551","0.0011","11.5524","0.0017","90","","97.855","0.003","90","","581.8","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C24 H30 N2 O10 -","2","1","","Tong, Xiao-Gang; Zhou, Li-Li; Wang, Yue-Hu; Xia, Chengfeng; Wang, Ye; Liang, Min; Hou, Fan-Fan; Cheng, Yong-Xian","Acortatarins A and B, two novel antioxidative spiroalkaloids with a naturally unusual morpholine motif from Acorus tatarinowii.","Organic letters","2010","12","8","1844","1847","10.1021/ol100451p","","","0.71073","MoKα","","0.0417","0.0403","","","0.1057","0.1068","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502926","7.3472","0.0003","9.8722","0.0004","26.8795","0.001","90","","90","","90","","1949.65","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Talnetant","3-Hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Rohbogner, Christoph J.; Wirth, Stefan; Knochel, Paul","Phosphorodiamidate-directed metalation of N-heterocycles using Mg- and Zn-TMP bases.","Organic letters","2010","12","9","1984","1987","10.1021/ol100453x","","x-ray","0.71073","MoKα","","0.0413","0.0297","","","0.0597","0.0619","","","","","","0.932","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502927","10.2499","0.0004","10.0927","0.0004","19.7258","0.0008","90","","98.197","0.004","90","","2019.77","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(3-{[bis(dimethylamino)phosphoryl]oxy}pyridin-4-yl) phenyl trifluoromethanesulfonate","","- C16 H19 F3 N3 O5 P S -","- C16 H19 F3 N3 O5 P S -","- C64 H76 F12 N12 O20 P4 S4 -","4","1","","Rohbogner, Christoph J.; Wirth, Stefan; Knochel, Paul","Phosphorodiamidate-directed metalation of N-heterocycles using Mg- and Zn-TMP bases.","Organic letters","2010","12","9","1984","1987","10.1021/ol100453x","","x-ray","0.71073","MoKα","","0.0574","0.0359","","","0.083","0.088","","","","","","0.911","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502928","13.619","0.003","11.209","0.002","14.083","0.003","90","","94.89","0.03","90","","2142","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-{[bis(dimethylamino)phosphoryl]oxy}-2-phenylquinoline-4-carboxylate","","- C22 H26 N3 O4 P -","- C22 H26 N3 O4 P -","- C88 H104 N12 O16 P4 -","4","1","","Rohbogner, Christoph J.; Wirth, Stefan; Knochel, Paul","Phosphorodiamidate-directed metalation of N-heterocycles using Mg- and Zn-TMP bases.","Organic letters","2010","12","9","1984","1987","10.1021/ol100453x","","x-ray","0.71073","MoKα","","0.0737","0.0438","","","0.102","0.1153","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502929","14.326","0.005","17.092","0.005","17.164","0.005","89.769","0.005","70.447","0.005","84.337","0.005","3939","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H62 N16 O33 Pd2 -","- C64 H62 N16 O33 Pd2 -","- C128 H124 N32 O66 Pd4 -","2","1","","Peinador, Carlos; Pía, Elena; Blanco, Víctor; García, Marcos D; Quintela, José M","Complexation of pyrene in aqueous solution with a self-assembled palladium metallocycle.","Organic letters","2010","12","7","1380","1383","10.1021/ol1004577","","","0.71073","MoKα","","0.0818","0.068","","","0.1678","0.1807","","","","","","0.916","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502930","11.4585","0.0008","15.7832","0.0008","11.6608","0.0008","90","","118.889","0.005","90","","1846.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Dunet, Julie; Lebeuf, Raphaël; Bose, Gopal; Robert, Frédéric; Landais, Yannick","Straightforward assembly of the octahydroisoquinoline core of morphinan alkaloids.","Organic letters","2010","12","10","2178","2181","10.1021/ol1004627","","","0.71073","MoKα","","0.111","0.0787","","","0.1534","0.1708","","","","","","1.162","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502931","11.1057","0.0007","26.7309","0.0015","8.1244","0.0004","90","","96.958","0.004","90","","2394.1","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 O7 -","- C26 H23 N3 O7 -","- C104 H92 N12 O28 -","4","1","","Dunet, Julie; Lebeuf, Raphaël; Bose, Gopal; Robert, Frédéric; Landais, Yannick","Straightforward assembly of the octahydroisoquinoline core of morphinan alkaloids.","Organic letters","2010","12","10","2178","2181","10.1021/ol1004627","","","1.54178","CuKα","","0.0693","0.0431","","","0.0982","0.1118","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502932","10.652","","12.569","","15.424","","70.89","","80.85","","72.13","","1853.16","","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O4 -","- C21.005 H23.28 N0.975 O3.77 -","- C84.02 H93.12 N3.9 O15.08 -","4","2","","Dunet, Julie; Lebeuf, Raphaël; Bose, Gopal; Robert, Frédéric; Landais, Yannick","Straightforward assembly of the octahydroisoquinoline core of morphinan alkaloids.","Organic letters","2010","12","10","2178","2181","10.1021/ol1004627","","","1.54178","CuKα","","0.0888","0.0735","","","0.219","0.2611","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502933","5.3913","0.0008","10.1972","0.0014","12.9979","0.0019","111.41","0.002","98.712","0.002","88.915","0.002","657.07","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C30 H34 N2 O6 -","2","1","","Flores, Melissa A.; Bode, Jeffrey W.","Chemoselective protection of alpha-ketoacids by direct annulations with oximes.","Organic letters","2010","12","9","1924","1927","10.1021/ol100467t","","","0.71073","MoKα","","0.0699","0.0485","","","0.1325","0.1462","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502934","8.2156","0.0008","17.9778","0.0018","11.0456","0.0011","90","","106.053","0.002","90","","1567.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C68 H56 O16 S4 -","4","1","","Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Cao, Li-Ping; Meng, Xiang-Gao; Wu, An-Xin","Formation of unsymmetrical 1,4-enediones via a focusing domino strategy: cross-coupling of 1,3-dicarbonyl compounds and methyl ketones or terminal aryl alkenes.","Organic letters","2010","12","8","1856","1859","10.1021/ol100473f","","","0.71073","MoKα","","0.0822","0.0672","","","0.1526","0.1617","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502935","11.9328","0.0007","6.1643","0.0003","25.0228","0.0015","90","","91.946","0.005","90","","1839.55","0.18","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 N -","- C29 H17 N -","- C116 H68 N4 -","4","1","","Tatar, Ameneh; Cejka, Jan; Král, Vladimír; Dolenský, Bohumil","Spiro Tröger's base derivatives: another structural phoenix?","Organic letters","2010","12","8","1872","1875","10.1021/ol1004774","","","1.54184","CuKα","","0.0577","0.047","","0.1377","0.1299","0.1377","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502936","14.4584","0.0009","12.419","0.0007","12.013","0.0008","90","","107.201","0.007","90","","2060.6","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C108 H88 N8 O16 -","4","1","","Tatar, Ameneh; Cejka, Jan; Král, Vladimír; Dolenský, Bohumil","Spiro Tröger's base derivatives: another structural phoenix?","Organic letters","2010","12","8","1872","1875","10.1021/ol1004774","","","1.5418","CuKα","","0.0806","0.0638","","0.1997","0.1805","0.1997","","","","","","0.9452","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502937","6.792","0.0001","12.2189","0.0002","13.1263","0.0002","90","","90","","90","","1089.36","0.03","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Mukherjee, Santanu; Scopton, Alex P.; Corey, E. J.","Enantioselective pathway for the synthesis of laurenditerpenol.","Organic letters","2010","12","8","1836","1838","10.1021/ol1004802","","","0.71073","MoKα","","0.0329","0.0313","","","0.0873","0.0885","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502938","5.5972","0.0003","22.0274","0.0013","19.8862","0.0011","90","","91.438","0.002","90","","2451","0.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H24 Cl N O2 -","- C30 H24 Cl N O2 -","- C120 H96 Cl4 N4 O8 -","4","1","","Yu, Xiuzhao; Du, Bo; Wang, Kai; Zhang, Junliang","Highly substituted 2,3-dihydroisoxazoles by Et(3)N-catalyzed tandem reaction of electron-deficient 1,3-conjugated enynes with hydroxylamines.","Organic letters","2010","12","8","1876","1879","10.1021/ol100490y","","","0.71073","MoKα","","0.0486","0.0355","","","0.0749","0.0816","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502939","6.876","0.0002","10.0689","0.0003","11.7443","0.0004","68.416","0.001","73.999","0.001","72.367","0.001","708.08","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","","Yu, Xiuzhao; Du, Bo; Wang, Kai; Zhang, Junliang","Highly substituted 2,3-dihydroisoxazoles by Et(3)N-catalyzed tandem reaction of electron-deficient 1,3-conjugated enynes with hydroxylamines.","Organic letters","2010","12","8","1876","1879","10.1021/ol100490y","","","0.71073","MoKα","","0.037","0.0342","","","0.1015","0.1052","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502940","10.252","0.002","7.4707","0.0015","20.115","0.004","90","","100.217","0.006","90","","1516.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br N O3 S -","- C16 H14 Br N O3 S -","- C64 H56 Br4 N4 O12 S4 -","4","1","","Samarakoon, Thiwanka B.; Hur, Moon Y.; Kurtz, Ryan D.; Hanson, Paul R.","A formal [4 + 4] complementary ambiphile pairing reaction: a new cyclization pathway for ortho-quinone methides.","Organic letters","2010","12","10","2182","2185","10.1021/ol100495w","","","1.54178","CuKα","","0.0374","0.0366","","","0.0909","0.0914","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502941","7.9647","0.0019","10.191","0.002","24.5","0.006","90","","90","","90","","1988.6","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O5 S -","- C19 H20 Br N O5 S -","- C76 H80 Br4 N4 O20 S4 -","4","1","","Samarakoon, Thiwanka B.; Hur, Moon Y.; Kurtz, Ryan D.; Hanson, Paul R.","A formal [4 + 4] complementary ambiphile pairing reaction: a new cyclization pathway for ortho-quinone methides.","Organic letters","2010","12","10","2182","2185","10.1021/ol100495w","","","0.71073","MoKα","","0.0964","0.058","","","0.0966","0.1071","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502942","5.4412","0.001","18.481","0.003","9.1796","0.0016","90","","106.141","0.008","90","","886.7","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H21 Br N O2 P -","- C17 H21 Br N O2 P -","- C34 H42 Br2 N2 O4 P2 -","2","1","","Zhao, Depeng; Mao, Lijuan; Wang, Yuan; Yang, Dongxu; Zhang, Quanliang; Wang, Rui","Catalytic asymmetric hydrophosphinylation of alpha,beta-unsaturated N-acylpyrroles: application of dialkyl phosphine oxides in enantioselective synthesis of chiral phosphine oxides or phosphines.","Organic letters","2010","12","8","1880","1882","10.1021/ol100504h","","","0.71073","MoKα","","0.0732","0.0451","","","0.0884","0.099","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502943","8.809","0.0016","9.2002","0.0017","11.103","0.002","90","","92.499","0.003","90","","899","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C36 H48 N4 O14 -","2","1","","Konishi, Hideyuki; Lam, Tin Yiu; Malerich, Jeremiah P.; Rawal, Viresh H.","Enantioselective alpha-amination of 1,3-dicarbonyl compounds using squaramide derivatives as hydrogen bonding catalysts.","Organic letters","2010","12","9","2028","2031","10.1021/ol1005104","","","0.71073","MoKα","","0.0411","0.0389","","","0.0934","0.0947","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502944","9.573","0.0007","14.186","0.001","16.8432","0.0012","90","","90","","90","","2287.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 S2 -","- C22 H30 O4 S2 -","- C88 H120 O16 S8 -","4","1","","Chen, Qing-An; Dong, Xiang; Chen, Mu-Wang; Wang, Duo-Sheng; Zhou, Yong-Gui; Li, Yu-Xue","Highly effective and diastereoselective synthesis of axially chiral bis-sulfoxide ligands via oxidative aryl coupling.","Organic letters","2010","12","9","1928","1931","10.1021/ol100536e","","","0.71073","MoKα","","0.0469","0.0408","","","0.094","0.0965","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502945","9.1721","0.0003","14.0916","0.0005","16.1791","0.0006","90","","90","","90","","2091.14","0.13","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H10 B I O4 -","- C8 H10 B I O4 -","- C64 H80 B8 I8 O32 -","8","1","","Al-Zoubi, Raed M; Hall, Dennis G.","Mild silver(I)-mediated regioselective iodination and bromination of arylboronic acids.","Organic letters","2010","12","11","2480","2483","10.1021/ol100537x","","","0.71073","MoKα","","0.0186","0.0179","","","0.0459","0.0463","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502946","7.3184","0.0007","9.7046","0.001","9.7487","0.001","60.4397","0.0009","77.0255","0.001","86.2786","0.001","586.02","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(2-iodo-3,4,5-trimethoxyphenyl)boronic acid","","- C9 H12 B I O5 -","- C9 H12 B I O5 -","- C18 H24 B2 I2 O10 -","2","1","","Al-Zoubi, Raed M; Hall, Dennis G.","Mild silver(I)-mediated regioselective iodination and bromination of arylboronic acids.","Organic letters","2010","12","11","2480","2483","10.1021/ol100537x","","","0.71073","MoKα","","0.0172","0.0162","","","0.0412","0.042","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502947","10.092","0.0006","11.0553","0.0007","19.3868","0.0012","90","","97.512","0.003","90","","2144.4","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O Si -","- C23 H31 N O Si -","- C92 H124 N4 O4 Si4 -","4","1","","Lamas, Marie-Céline; Vaillard, Santiago E.; Wibbeling, Birgit; Studer, Armido","Radical amination with trimethylstannylated benzophenone imine.","Organic letters","2010","12","9","2072","2075","10.1021/ol1005455","","","1.54178","CuKα","","0.0692","0.0523","","","0.1278","0.1391","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502948","11.701","0.007","5.714","0.003","17.818","0.011","90","","96.491","0.009","90","","1183.7","1.2","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Nakamura, Itaru; Okamoto, Masashi; Terada, Masahiro","Gold-catalyzed cyclization and subsequent arylidene group transfer of O-propioloyl oximes.","Organic letters","2010","12","11","2453","2455","10.1021/ol100581m","","","0.7107","MoKα","","","0.0398","","","","0.0881","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502949","28.597","0.006","10.465","0.002","29.068","0.006","90","","95.36","0.03","90","","8661","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H111 F12 N5 O22 P2 -","- C82 H111 F12 N5 O22 P2 -","- C328 H444 F48 N20 O88 P8 -","4","0.5","","Su, Yong-Sheng; Chen, Chuan-Feng","Novel anthracene-based cylindrical macrotricyclic polyether: powerful host for bispyridinium dications.","Organic letters","2010","12","8","1888","1891","10.1021/ol100589u","","","0.71073","MoKα","","0.0718","0.065","","","0.1599","0.1662","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502950","10.5785","0.0015","12.5308","0.0017","20.433","0.004","97.683","0.011","97.63","0.011","111.007","0.007","2457.6","0.7","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C85 H112 Cl3 F12 N5 O21 P2 -","- C85 H112 Cl3 F12 N5 O21 P2 -","- C85 H112 Cl3 F12 N5 O21 P2 -","1","1","","Su, Yong-Sheng; Chen, Chuan-Feng","Novel anthracene-based cylindrical macrotricyclic polyether: powerful host for bispyridinium dications.","Organic letters","2010","12","8","1888","1891","10.1021/ol100589u","","","0.71073","MoKα","","0.1061","0.0885","","","0.2157","0.2293","","","","","","1.242","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502951","11.732","0.002","12.02","0.002","18.224","0.003","79.289","0.005","85.127","0.006","88.981","0.006","2516","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H108 F12 N4 O20 P2 -","- C86 H108 F12 N4 O20 P2 -","- C86 H108 F12 N4 O20 P2 -","1","0.5","","Su, Yong-Sheng; Chen, Chuan-Feng","Novel anthracene-based cylindrical macrotricyclic polyether: powerful host for bispyridinium dications.","Organic letters","2010","12","8","1888","1891","10.1021/ol100589u","","","0.71073","MoKα","","0.0992","0.0754","","","0.204","0.2207","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502952","9.2745","0.0007","5.2059","0.0003","12.1233","0.0007","90","","92.047","0.002","90","","584.97","0.07","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H14 N2 O4 Se -","- C10 H14 N2 O4 Se -","- C20 H28 N4 O8 Se2 -","2","1","","Alexander, Varughese; Choi, Won Jun; Chun, Jeongha; Kim, Hea Ok; Jeon, Ji Hye; Tosh, Dilip K.; Lee, Hyuk Woo; Chandra, Girish; Choi, Jungwon; Jeong, Lak Shin","A new DNA building block, 4'-selenothymidine: synthesis and modification to 4'-seleno-AZT as a potential anti-HIV agent.","Organic letters","2010","12","10","2242","2245","10.1021/ol1005906","","","0.71073","MoKα","","0.0304","0.0251","","","0.0496","0.0548","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502953","10.9132","0.0005","6.9003","0.0003","15.269","0.0007","90","","92.715","0.004","90","","1148.53","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Gimeno, Ana; Medio-Simón, Mercedes; de Arellano, Carmen Ramírez; Asensio, Gregorio; Cuenca, Ana B.","NHC-stabilized gold(I) complexes: suitable catalysts for 6-exo-dig heterocyclization of 1-(o-ethynylaryl)ureas.","Organic letters","2010","12","9","1900","1903","10.1021/ol100595s","","","0.71073","MoKα","","0.0681","0.0361","","","0.0706","0.0746","","","","","","0.83","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502954","10.9222","0.0007","14.706","0.001","9.8615","0.0007","90","","95.711","0.006","90","","1576.11","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Gimeno, Ana; Medio-Simón, Mercedes; de Arellano, Carmen Ramírez; Asensio, Gregorio; Cuenca, Ana B.","NHC-stabilized gold(I) complexes: suitable catalysts for 6-exo-dig heterocyclization of 1-(o-ethynylaryl)ureas.","Organic letters","2010","12","9","1900","1903","10.1021/ol100595s","","","0.71073","MoKα","","0.091","0.0416","","","0.0627","0.0669","","","","","","0.864","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502955","15.1508","0.0017","6.0052","0.0006","15.6364","0.0017","90","","115.054","0.014","90","","1288.8","0.3","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H29 Cl N2 O2 -","- C32 H29 Cl N2 O2 -","- C64 H58 Cl2 N4 O4 -","2","1","","Wang, Chao; Han, Zhi-Yong; Luo, Hong-Wen; Gong, Liu-Zhu","Highly enantioselective relay catalysis in the three-component reaction for direct construction of structurally complex heterocycles.","Organic letters","2010","12","10","2266","2269","10.1021/ol1006086","","","1.54184","CuKα","","0.0818","0.0392","","","0.0582","0.0651","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502956","15.55","0.06","25.46","0.09","20","0.08","90","","112.81","0.03","90","","7299","5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C112 H100 N4 Ni O4 -","- C112 H100 N4 Ni O4 -","- C224 H200 N8 Ni2 O8 -","2","1","","Davis, Nicola K. S.; Thompson, Amber L.; Anderson, Harry L.","Bis-anthracene fused porphyrins: synthesis, crystal structure, and near-IR absorption.","Organic letters","2010","12","9","2124","2127","10.1021/ol100619p","","","0.6889","Synchrotron","","0.2626","0.1399","","0.2711","0.1283","0.1283","","","","","","0.9617","","","","has coordinates","288252","2023-12-12","14:26:09",""
"1502957","7.8464","0.0016","7.4777","0.0015","34.944","0.007","90","","92.36","0.03","90","","2048.5","0.7","173","2","173","2","","","101","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","Bicyclic enone","(2R,4aR,E)-methyl 7-(2-(2,4-dinitrophenyl)hydrazono)-8-methyl-4a-vinyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-2-carboxylate","","- C21 H24 N4 O6 -","- C21 H24 N4 O6 -","- C84 H96 N16 O24 -","4","1","","Jiao, Lei; Lin, Mu; Zhuo, Lian-Gang; Yu, Zhi-Xiang","Rh(I)-catalyzed [(3 + 2) + 1] cycloaddition of 1-yne/ene-vinylcyclopropanes and CO: homologous Pauson-Khand reaction and total synthesis of (+/-)-alpha-agarofuran.","Organic letters","2010","12","11","2528","2531","10.1021/ol100625e","","","1.54178","CuKα","","0.0802","0.0603","","","0.1577","0.1751","","","","","","1.167","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502958","9.2401","0.0001","35.6299","0.0004","9.4474","0.0001","90","","100.319","0.001","90","","3060","0.06","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C136 H152 N8 O32 -","8","2","","Heidebrecht, Jr, Richard W; Gulledge, Brian; Martin, Stephen F.","Approaches to N-methylwelwitindolinone C isothiocyanate: facile synthesis of the tetracyclic core.","Organic letters","2010","12","11","2492","2495","10.1021/ol1006373","","","0.71073","MoKα","","0.063","0.0433","","","0.0989","0.108","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502959","9.5637","0.0002","15.928","0.0003","10.1072","0.0002","90","","108.491","0.001","90","","1460.15","0.05","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Heidebrecht, Jr, Richard W; Gulledge, Brian; Martin, Stephen F.","Approaches to N-methylwelwitindolinone C isothiocyanate: facile synthesis of the tetracyclic core.","Organic letters","2010","12","11","2492","2495","10.1021/ol1006373","","","0.71073","MoKα","","0.0821","0.0619","","","0.118","0.1247","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502960","8.0751","0.001","17.198","0.002","28.867","0.004","90","","90","","90","","4008.9","0.9","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H20 Br2 S2 Si2 -","- C14 H20 Br2 S2 Si2 -","- C112 H160 Br16 S16 Si16 -","8","1","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.0628","0.0497","","","0.1239","0.1286","","","","","","1.244","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502961","28.649","0.004","7.6936","0.001","18.557","0.002","90","","90","","90","","4090.2","0.9","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H20 Br2 Se2 Si2 -","- C14 Br2 Se2 Si2 -","- C112 Br16 Se16 Si16 -","8","2","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.0585","0.0486","","","0.1198","0.126","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502962","7.609","0.0004","7.8362","0.0004","14.006","0.001","96.084","0.001","91.377","0.001","116.781","0.001","738.91","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H42 Br2 N2 S2 Si2 -","- C24 H42 Br2 N2 S2 Si2 -","- C24 H42 Br2 N2 S2 Si2 -","1","0.5","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.0188","0.0178","","","0.0531","0.0536","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502963","23.99","0.005","23.99","0.005","6.922","0.002","90","","90","","90","","3983.8","1.6","100","2","100","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H18 Br2 N2 S2 Si2 -","- C12 H18 Br2 N2 S2 Si2 -","- C96 H144 Br16 N16 S16 Si16 -","8","1","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.1593","0.064","","","0.1397","0.1839","","","","","","0.779","","","","has coordinates","287940","2023-12-01","17:20:57",""
"1502964","7.8972","0.0006","7.9276","0.0006","9.8529","0.0007","99.612","0.001","102.278","0.001","92.55","0.001","592.23","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H4 F2 I2 N2 -","- C10 H4 F2 I2 N2 -","- C20 H8 F4 I4 N4 -","2","1","","Getmanenko, Yulia A.; Tongwa, Paul; Timofeeva, Tatiana V.; Marder, Seth R.","Base-catalyzed halogen dance reaction and oxidative coupling sequence as a convenient method for the preparation of dihalo-bisheteroarenes.","Organic letters","2010","12","9","2136","2139","10.1021/ol1006423","","","0.71073","MoKα","","0.0212","0.0201","","","0.0521","0.0527","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502965","11.2211","0.0006","11.8189","0.0006","13.4426","0.0007","110.193","0.003","110.006","0.003","92.35","0.003","1546.43","0.15","110","","110","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C80 H76 N12 -","4","2","","Behof, William J.; Wang, Dongchuan; Niu, Weijun; Gorman, Christopher B.","Cascade cyclization to produce a series of fused, aromatic molecules.","Organic letters","2010","12","9","2146","2148","10.1021/ol100656d","","","0.71073","MoKα","","0.0914","0.0488","","","0.1059","0.1236","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502966","11.0761","0.0002","17.927","0.0004","22.0523","0.0005","90","","96.632","0.0011","90","","4349.43","0.16","110","","110","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N4 -","- C29 H26 N4 -","- C232 H208 N32 -","8","2","","Behof, William J.; Wang, Dongchuan; Niu, Weijun; Gorman, Christopher B.","Cascade cyclization to produce a series of fused, aromatic molecules.","Organic letters","2010","12","9","2146","2148","10.1021/ol100656d","","","0.71073","MoKα","","0.092","0.0582","","","0.1552","0.1754","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502967","9.0672","0.0018","21.933","0.004","7.2346","0.0014","90","","110.83","0.03","90","","1344.7","0.5","133","2","133","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H17 N O P -","- C14 H17 N O P -","- C56 H68 N4 O4 P4 -","4","1","","Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola","Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.","Organic letters","2010","12","10","2298","2301","10.1021/ol100658y","","","0.71073","MoKα","","0.0524","0.0442","","","0.1061","0.1109","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502968","11.809","0.002","8.9905","0.0018","23.562","0.005","90","","94.76","0.03","90","","2492.9","0.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cl10 O6 P2 Pd2 -","- C40 H52 Cl10 O6 P2 Pd2 -","- C80 H104 Cl20 O12 P4 Pd4 -","2","0.5","","Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola","Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.","Organic letters","2010","12","10","2298","2301","10.1021/ol100658y","","","0.71073","MoKα","","0.0977","0.0629","","","0.1234","0.1351","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502969","9.1373","0.0018","14.932","0.003","12.95","0.003","90","","102.16","0.03","90","","1727.2","0.7","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl O2 P -","- C18 H22 Cl O2 P -","- C72 H88 Cl4 O8 P4 -","4","1","","Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola","Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.","Organic letters","2010","12","10","2298","2301","10.1021/ol100658y","","","0.71073","MoKα","","0.0317","0.0291","","","0.0767","0.0784","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502970","7.3352","0.0015","18.878","0.004","13.81","0.003","90","","93.06","0.03","90","","1909.6","0.7","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 Cl O3 P -","- C19 H24 Cl O3 P -","- C76 H96 Cl4 O12 P4 -","4","1","","Ackermann, Lutz; Kapdi, Anant R.; Schulzke, Carola","Air-stable secondary phosphine oxide or chloride (Pre)ligands for cross-couplings of unactivated alkyl chlorides.","Organic letters","2010","12","10","2298","2301","10.1021/ol100658y","","","0.71073","MoKα","","0.0391","0.0295","","","0.0671","0.0701","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502971","8.0855","0.0001","8.0855","0.0001","22.4109","0.0002","90","","90","","120","","1268.83","0.02","150","2","150","2","","","","","","","synthesis as described","5","P 32","P 32","145","RajanBabu 1646","","","- C17 H18.78 Br N3 O2.39 -","- C17 H18.776 Br N3 O2.388 -","- C51 H56.328 Br3 N9 O7.164 -","3","1","","Lim, Hwan Jung; Gallucci, Judith C.; RajanBabu, T. V.","Annulated diketopiperazines from dipeptides or Schöllkopf reagents via tandem cyclization-intramolecular N-arylation.","Organic letters","2010","12","9","2162","2165","10.1021/ol100663y","","x-ray","0.71073","MoKα","","0.024","0.0212","","","0.0483","0.0494","","","","","","1.036","","","","has coordinates","198673","2020-10-21","18:00:00",""
"1502972","6.67","0.003","7.257","0.003","20.878","0.009","90","","94.83","0.008","90","","1007","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-thiazolyl MIDA boronate","","","- C8 H9 B N2 O4 S -","- C8 H9 B N2 O4 S -","- C32 H36 B4 N8 O16 S4 -","4","1","","Dick, Graham R.; Knapp, David M.; Gillis, Eric P.; Burke, Martin D.","General method for synthesis of 2-heterocyclic N-methyliminodiacetic acid boronates.","Organic letters","2010","12","10","2314","2317","10.1021/ol100671v","","","0.71073","MoKα","","0.05","0.0375","","","0.0944","0.1016","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1502973","6.437","0.0005","7.1968","0.0006","22.2006","0.0017","90","","91.305","0.005","90","","1028.19","0.14","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-pyrazinyl MIDA boronate","","","- C9 H10 B N3 O4 -","- C9 H10 B N3 O4 -","- C36 H40 B4 N12 O16 -","4","1","","Dick, Graham R.; Knapp, David M.; Gillis, Eric P.; Burke, Martin D.","General method for synthesis of 2-heterocyclic N-methyliminodiacetic acid boronates.","Organic letters","2010","12","10","2314","2317","10.1021/ol100671v","","","0.71073","MoKα","","0.0459","0.0325","","","0.0738","0.0802","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502974","6.715","0.005","17.086","0.005","16.786","0.005","90","0.005","95.45","0.005","90","0.005","1917.2","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Wan, Changfeng; Zhang, Jintang; Wang, Sujing; Fan, Jinmin; Wang, Zhiyong","Facile synthesis of polysubstituted oxazoles via a copper-catalyzed tandem oxidative cyclization.","Organic letters","2010","12","10","2338","2341","10.1021/ol100688c","","","0.71073","MoKα","","0.1063","0.0384","","","0.0558","0.0595","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502975","8.276","0.008","20.8","0.02","9.536","0.009","90","","90","","90","","1642","3","156","2","156","2","","","","","","","","2","C c m 21","C 2c -2c","36","","","","- C24 H8 -","- C24 H8 -","- C96 H32 -","4","0.5","","Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves","Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.","Organic letters","2010","12","10","2346","2349","10.1021/ol1006967","","","0.71073","MoKα","","0.0874","0.0434","","","0.0883","0.1049","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502976","12.4522","0.0009","12.4742","0.0009","19.6932","0.0015","90","","90","","90","","3059","0.4","100","2","100","2","","","","","","","","3","C c c a :2","-C 2a 2ac","68","","","","- C36 H24 O8 -","- C36 H24 O8 -","- C144 H96 O32 -","4","0.25","","Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves","Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.","Organic letters","2010","12","10","2346","2349","10.1021/ol1006967","","","0.71073","MoKα","","0.0412","0.0352","","","0.0892","0.0947","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502977","7.1356","0.0009","7.5011","0.0009","11.3348","0.0014","83.015","0.002","89.82","0.001","79.081","0.002","591.17","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32.3 H16 O4 -","- C32.3 H16 O4 -","- C32.3 H16 O4 -","1","0.5","","Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves","Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.","Organic letters","2010","12","10","2346","2349","10.1021/ol1006967","","","0.71073","MoKα","","0.0521","0.0442","","","0.1134","0.1197","","","","","","1.047","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502978","10.4772","0.0017","10.4772","0.0017","19.925","0.004","90","","90","","120","","1894.2","0.6","100","2","100","2","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- C18 H6 -","- C18 H6 -","- C108 H36 -","6","1","","Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves","Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.","Organic letters","2010","12","10","2346","2349","10.1021/ol1006967","","","0.71073","MoKα","","0.0605","0.0392","","","0.1191","0.1284","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502979","14.0215","0.0004","14.0215","0.0004","8.8612","0.0003","90","","90","","90","","1742.13","0.09","100","2","100","2","","","","","","","","4","P 42 b c","P 4c -2ab","106","","4-Azi-1-fluoroadamantane","","- C10 H13 F N2 -","- C10 H13 F N2 -","- C80 H104 F8 N16 -","8","1","","Knoll, Wolfgang; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","2H-Azirines from a concerted addition of alkylcarbenes to nitrile groups.","Organic letters","2010","12","10","2366","2369","10.1021/ol100703r","","","0.71073","MoKα","","0.036","0.0298","","","0.0802","0.0847","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502980","6.4202","0.0003","27.8217","0.0011","6.469","0.0002","90","","97.081","0.002","90","","1146.69","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-trans-Cyanoethenyl)-5'-fluoro-spiro[2-H-azirine-2,2'- tricyclo[3.3.1.1^3',7'^]decane","","- C14 H15 F N2 -","- C14 H15 F N2 -","- C56 H60 F4 N8 -","4","1","","Knoll, Wolfgang; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","2H-Azirines from a concerted addition of alkylcarbenes to nitrile groups.","Organic letters","2010","12","10","2366","2369","10.1021/ol100703r","","","0.71073","MoKα","","0.0503","0.0417","","","0.1065","0.1112","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502981","15.213","0.003","14.512","0.003","25.763","0.005","90","","104.71","0.03","90","","5501","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 F18 N2 O5 -","- C58 H46 F18 N2 O5 -","- C232 H184 F72 N8 O20 -","4","1","","Li, Yan; Li, Cheng; Yue, Wan; Jiang, Wei; Kopecek, Ralf; Qu, Jianqiang; Wang, Zhaohui","Direct functionalization of polycyclic aromatics via radical perfluoroalkylation.","Organic letters","2010","12","10","2374","2377","10.1021/ol1007197","","","0.71073","MoKα","","0.1654","0.0945","","","0.1938","0.2339","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502982","19.0062","0.0012","11.4277","0.0013","10.594","0.002","90","","105.056","0.008","90","","2222","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H9 F17 -","- C24 H9 F17 -","- C96 H36 F68 -","4","1","","Li, Yan; Li, Cheng; Yue, Wan; Jiang, Wei; Kopecek, Ralf; Qu, Jianqiang; Wang, Zhaohui","Direct functionalization of polycyclic aromatics via radical perfluoroalkylation.","Organic letters","2010","12","10","2374","2377","10.1021/ol1007197","","","1.54186","CuKα","","0.1164","0.0855","","","0.1953","0.2132","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502983","8.0518","0.0006","15.3345","0.0012","8.7652","0.0007","90","","96.317","0.002","90","","1075.67","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 N S2 -","- C11 H11 N S2 -","- C44 H44 N4 S8 -","4","1","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.0334","0.0313","","","0.0811","0.0825","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502984","12.615","0.003","6.3425","0.0013","14.48","0.003","90","","113.24","0.006","90","","1064.5","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N S2 -","- C11 H11 N S2 -","- C44 H44 N4 S8 -","4","1","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.03","0.0288","","","0.0703","0.0711","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502985","16.1903","0.0019","9.7742","0.0009","13.6344","0.0016","90","","105.714","0.007","90","","2077","0.4","100","2","100","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 S4 -","- C22 H20 N2 S4 -","- C88 H80 N8 S16 -","4","0.5","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.0758","0.0599","","","0.1447","0.1575","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502986","9.5582","0.0016","11.926","0.002","18.283","0.003","90","","92.333","0.009","90","","2082.4","0.6","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 S4 -","- C22 H20 N2 S4 -","- C88 H80 N8 S16 -","4","1","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.0701","0.0456","","","0.1089","0.1203","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502987","18.067","0.004","19.602","0.004","24.107","0.004","90","","105.061","0.005","90","","8244","3","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Mo2 N4 O8 S8 -","- C52 H40 Mo2 N4 O8 S8 -","- C208 H160 Mo8 N16 O32 S32 -","4","0.5","","Gontier, Elodie; Bellec, Nathalie; Brignou, Pierre; Gohier, Arnaud; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Pyridyldithiafulvenes as precursors of coordination-driven self-assembled redox active macrocycle.","Organic letters","2010","12","10","2386","2389","10.1021/ol1007422","","x-ray","0.71073","MoKα","","0.0909","0.0544","","","0.1244","0.1363","","","","","","0.922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502988","8.2205","0.0007","12.0272","0.001","11.6896","0.0009","90","","105.839","0.001","90","","1111.87","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 B12 F12 N8 -","- C8 H14 B12 F12 N8 -","- C16 H28 B24 F24 N16 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Ammon, Herman L.; Peryshkov, Dmitry V.; Strauss, Steven H.","Bridged heterocyclium dicationic closo-icosahedral perfluoroborane, borane, and carborane salts via aqueous, open-air benchtop synthesis.","Organic letters","2010","12","12","2714","2717","10.1021/ol100752y","","","0.71073","MoKα","","0.0726","0.0483","","","0.1388","0.1559","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502989","8.3183","0.0002","13.3108","0.0003","10.9935","0.0003","90","","110.847","0.001","90","","1137.55","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 B12 F12 N8 -","- C8 H14 B12 F12 N8 -","- C16 H28 B24 F24 N16 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Ammon, Herman L.; Peryshkov, Dmitry V.; Strauss, Steven H.","Bridged heterocyclium dicationic closo-icosahedral perfluoroborane, borane, and carborane salts via aqueous, open-air benchtop synthesis.","Organic letters","2010","12","12","2714","2717","10.1021/ol100752y","","","0.71073","MoKα","","0.0539","0.0385","","","0.1023","0.1129","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502990","17.066","0.0013","14.6477","0.0012","17.8123","0.0012","90","","90","","90","","4452.7","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 B12 F12 N8 -","- C8 H12 B12 F12 N8 -","- C64 H96 B96 F96 N64 -","8","1","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Ammon, Herman L.; Peryshkov, Dmitry V.; Strauss, Steven H.","Bridged heterocyclium dicationic closo-icosahedral perfluoroborane, borane, and carborane salts via aqueous, open-air benchtop synthesis.","Organic letters","2010","12","12","2714","2717","10.1021/ol100752y","","","1.54178","CuKα","","0.063","0.0468","","","0.1313","0.1444","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502991","34.5215","0.001","6.185","0.0002","16.8548","0.0005","90","","103.311","0.002","90","","3502.08","0.19","150","2","150","2","","","","","","","Mairi Rudkin","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C168 H152 N8 O32 -","8","1","","Gourdet, Benoit; Rudkin, Mairi E.; Lam, Hon Wai","Rhodium-catalyzed annulation of ynamides with bifunctional arylboron reagents.","Organic letters","2010","12","11","2554","2557","10.1021/ol100769p","","","0.71073","MoKα","","0.0539","0.0426","","","0.0982","0.1036","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502992","9.27962","0.00019","11.269","0.0003","12.779","0.0003","79.8174","0.0018","85.4258","0.0016","80.7897","0.0018","1296.5","0.05","100","2","100","2","","","","","","","Benoit Gourdet","6","P -1","-P 1","2","","","","- C27 H32 Cl N O5 Si -","- C27 H32 Cl N O5 Si -","- C54 H64 Cl2 N2 O10 Si2 -","2","1","","Gourdet, Benoit; Rudkin, Mairi E.; Lam, Hon Wai","Rhodium-catalyzed annulation of ynamides with bifunctional arylboron reagents.","Organic letters","2010","12","11","2554","2557","10.1021/ol100769p","","","1.5418","CuKα","","0.0424","0.041","","","0.1142","0.1157","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502993","9.269","0.001","5.8773","0.0007","15.1007","0.0018","90","","101.95","0.006","90","","804.81","0.16","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C34 H44 N4 O6 -","2","1","","Zeng, Xiaofei; Ye, Kehan; Lu, Min; Chua, Pei Juan; Tan, Bin; Zhong, Guofu","Chiral Brønsted acid catalyzed enantioselective addition of alpha-isocyanoacetamides to aldehydes.","Organic letters","2010","12","10","2414","2417","10.1021/ol1007789","","","0.71073","MoKα","","0.0568","0.0421","","","0.1094","0.1264","","","","","","1.091","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502994","9.6941","0.0003","14.7085","0.0004","21.8771","0.0006","90","","90","","90","","3119.36","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N O6 -","- C16 H16 Cl N O6 -","- C128 H128 Cl8 N8 O48 -","8","2","","Tan, Bin; Lu, Yunpeng; Zeng, Xiaofei; Chua, Pei Juan; Zhong, Guofu","Facile domino access to chiral bicyclo[3.2.1]octanes and discovery of a new catalytic activation mode.","Organic letters","2010","12","12","2682","2685","10.1021/ol1007795","","","0.71073","MoKα","","0.036","0.0286","","","0.0837","0.1025","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502995","9.3739","0.0001","10.249","0.0001","16.2713","0.0002","90","","90","","90","","1563.23","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Yao, Weijun; Pan, Lianjie; Wu, Yihua; Ma, Cheng","Asymmetric synthesis of spiro-3,4-dihydropyrans via a domino organocatalytic sequence.","Organic letters","2010","12","10","2422","2425","10.1021/ol1007873","","","1.54184","CuKα","","0.0292","0.0278","","","0.0715","0.0725","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502996","15.1272","0.0005","5.4965","0.0002","16.83","0.0008","90","","114.777","0.002","90","","1270.54","0.09","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 F N4 O4 -","- C12 H9 F N4 O4 -","- C48 H36 F4 N16 O16 -","4","1","","Haddoub, Rose; Touil, Mounia; Raimundo, Jean-Manuel; Siri, Olivier","Unprecedented tunable tetraazamacrocycles.","Organic letters","2010","12","12","2722","2725","10.1021/ol100793g","","x-ray","0.71073","MoKα","","0.1268","0.0678","","","0.1486","0.1898","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502997","12.422","0.003","15.87","0.003","23.192","0.005","90","","90.39","0.03","90","","4571.9","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 F12 Mo3 P2 Pd S4 -","- C33 H50 F12 Mo3 P2 Pd S4 -","- C132 H200 F48 Mo12 P8 Pd4 S16 -","4","1","","Tao, Yinsong; Wang, Bo; Wang, Baomin; Qu, Lihong; Qu, Jingping","Highly efficient and regioselective allylation with allylic alcohols catalyzed by [Mo(3)S(4)Pd(eta(3)-allyl)] clusters.","Organic letters","2010","12","12","2726","2729","10.1021/ol100805c","","","0.71073","MoKα","","0.08","0.0605","","","0.1829","0.2012","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502998","11.4328","0.0006","21.3073","0.0011","20.1076","0.001","90","","95.32","0.003","90","","4877.2","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H54 F12 Mo3 P2 Pd S4 -","- C39 H54 F12 Mo3 P2 Pd S4 -","- C156 H216 F48 Mo12 P8 Pd4 S16 -","4","1","","Tao, Yinsong; Wang, Bo; Wang, Baomin; Qu, Lihong; Qu, Jingping","Highly efficient and regioselective allylation with allylic alcohols catalyzed by [Mo(3)S(4)Pd(eta(3)-allyl)] clusters.","Organic letters","2010","12","12","2726","2729","10.1021/ol100805c","","","0.71073","MoKα","","0.0583","0.038","","","0.0937","0.1064","","","","","","0.997","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502999","15.829","0.002","7.502","0.0012","16.492","0.003","90","","95.853","0.003","90","","1948.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","","Jiang, Min; Shi, Min","Lewis acid catalyzed cycloaddition of methylenecyclopropanes with salicylaldehydes.","Organic letters","2010","12","11","2606","2609","10.1021/ol100814a","","","0.71073","MoKα","","0.0866","0.0593","","","0.1714","0.1821","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503000","9.4459","0.0009","11.0752","0.001","18.8988","0.0018","90","","100.572","0.002","90","","1943.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","","Jiang, Min; Shi, Min","Lewis acid catalyzed cycloaddition of methylenecyclopropanes with salicylaldehydes.","Organic letters","2010","12","11","2606","2609","10.1021/ol100814a","","","0.71073","MoKα","","0.0645","0.0479","","","0.1174","0.1271","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503001","8.9418","0.0002","12.138","0.0002","29.4256","0.0007","90","","90","","90","","3193.72","0.12","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Br N2 O5 -","- C29 H25 Br N2 O5 -","- C116 H100 Br4 N8 O20 -","4","1","","Liao, Yu-Hua; Liu, Xiong-Li; Wu, Zhi-Jun; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly diastereo- and enantioselective Michael additions of 3-substituted oxindoles to maleimides catalyzed by chiral bifunctional thiourea-tertiary amine.","Organic letters","2010","12","13","2896","2899","10.1021/ol100822k","","","0.71073","MoKα","","0.0691","0.0383","","","0.096","0.099","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503002","9.6608","0.0009","7.7675","0.0007","20.3906","0.0019","90","","91.435","0.003","90","","1529.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","VM-iodolactone","sarpong12","","- C16 H18 I N O3 -","- C16 H18 I N O3 -","- C64 H72 I4 N4 O12 -","4","1","","Bisai, Vishnumaya; Sarpong, Richmond","Methoxypyridines in the synthesis of Lycopodium alkaloids: total synthesis of (+/-)-lycoposerramine R.","Organic letters","2010","12","11","2551","2553","10.1021/ol100823t","","","1.54178","CuKα","","0.0199","0.0196","","","0.0509","0.051","","","","","","1.116","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1503003","16.7347","0.0005","8.7664","0.0003","17.2571","0.0005","90","","117.845","0.001","90","","2238.54","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C52 H60 O8 -","- C52 H60 O8 -","- C104 H120 O16 -","2","1","","Ajayi, Kehinde; Thakur, Vinay V.; Lapo, Robert C.; Knapp, Spencer","Intramolecular alpha-glucosaminidation: synthesis of mycothiol.","Organic letters","2010","12","11","2630","2633","10.1021/ol1008334","","","1.54178","CuKα","","0.0523","0.0475","","","0.1061","0.1079","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503004","12.684","0.004","12.99","0.004","13.048","0.004","66.395","0.004","83.47","0.004","67.558","0.004","1818.8","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 F6 N13 O P -","- C30 H34 F6 N13 O P -","- C60 H68 F12 N26 O2 P2 -","2","1","","Arunachalam, M.; Ahamed, B. Nisar; Ghosh, Pradyut","Binding of ammonium hexafluorophosphate and cation-induced isolation of unusual conformers of a hexapodal receptor.","Organic letters","2010","12","12","2742","2745","10.1021/ol100842q","","","0.71073","MoKα","","0.0627","0.0487","","","0.1448","0.1571","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503005","12.126","0.003","21.131","0.005","30.52","0.007","90","","90","","90","","7820","3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H42 Cl2 Cu N12 O14 -","- C30 H38 Cl2 Cu N12 O14 -","- C240 H304 Cl16 Cu8 N96 O112 -","8","1","","Arunachalam, M.; Ahamed, B. Nisar; Ghosh, Pradyut","Binding of ammonium hexafluorophosphate and cation-induced isolation of unusual conformers of a hexapodal receptor.","Organic letters","2010","12","12","2742","2745","10.1021/ol100842q","","","0.71073","MoKα","","0.0994","0.0648","","","0.146","0.1613","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503006","10.5152","0.0005","11.0902","0.0006","17.2952","0.0009","79.471","0.001","77.749","0.001","76.882","0.001","1900.24","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cd Cl2 N12 O13 -","- C30 H38 Cd Cl2 N12 O13 -","- C60 H76 Cd2 Cl4 N24 O26 -","2","1","","Arunachalam, M.; Ahamed, B. Nisar; Ghosh, Pradyut","Binding of ammonium hexafluorophosphate and cation-induced isolation of unusual conformers of a hexapodal receptor.","Organic letters","2010","12","12","2742","2745","10.1021/ol100842q","","","0.71073","MoKα","","0.0395","0.0329","","","0.0844","0.0885","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503007","12.6815","0.0007","6.7504","0.0004","19.5058","0.0006","90","","96.25","0.003","90","","1659.87","0.14","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Bryan, Christopher S.; Lautens, Mark","A tandem catalytic approach to methyleneindenes: mechanistic insights into gem-dibromoolefin reactivity.","Organic letters","2010","12","12","2754","2757","10.1021/ol100844v","","","0.71073","MoKα","","0.0869","0.0612","","","0.1549","0.1772","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503008","7.7467","0.0006","8.755","0.0007","25.2638","0.0017","92.894","0.005","93.713","0.005","108.481","0.004","1617.1","0.2","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","2","","Bryan, Christopher S.; Lautens, Mark","A tandem catalytic approach to methyleneindenes: mechanistic insights into gem-dibromoolefin reactivity.","Organic letters","2010","12","12","2754","2757","10.1021/ol100844v","","","0.71073","MoKa","","0.1254","0.0639","","","0.1466","0.1809","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503009","6.3188","0.001","19.093","0.003","25.261","0.004","90","","90","","90","","3047.6","0.8","184","2","184","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O5 S2 -","- C31 H29 N O5 S2 -","- C124 H116 N4 O20 S8 -","4","1","","Jiang, Kun; Jia, Zhi-Jun; Yin, Xiang; Wu, Li; Chen, Ying-Chun","Asymmetric quadruple aminocatalytic domino reactions to fused carbocycles incorporating a spirooxindole motif.","Organic letters","2010","12","12","2766","2769","10.1021/ol100857s","","","0.71073","MoKα","","0.1704","0.0967","","","0.2466","0.292","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503010","15.134","0.004","7.946","0.0018","23.633","0.005","90","","91.625","0.004","90","","2840.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N O3 -","- C34 H33 N O3 -","- C136 H132 N4 O12 -","4","1","","Bariwal, Jitender B.; Ermolat'ev, Denis S.; Glasnov, Toma N.; Van Hecke, Kristof; Mehta, Vaibhav P.; Van Meervelt, Luc; Kappe, C. Oliver; Van der Eycken, Erik V.","Diversity-oriented synthesis of dibenzoazocines and dibenzoazepines via a microwave-assisted intramolecular A(3)-coupling reaction.","Organic letters","2010","12","12","2774","2777","10.1021/ol1008729","","","1.54178","CuKα","","0.0723","0.0464","","","0.0945","0.1064","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503011","8.3323","0.0007","11.9758","0.001","10.5285","0.0015","90","","100.916","0.004","90","","1031.59","0.19","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 N O2 S -","- C25 H25 N O2 S -","- C50 H50 N2 O4 S2 -","2","1","","Bariwal, Jitender B.; Ermolat'ev, Denis S.; Glasnov, Toma N.; Van Hecke, Kristof; Mehta, Vaibhav P.; Van Meervelt, Luc; Kappe, C. Oliver; Van der Eycken, Erik V.","Diversity-oriented synthesis of dibenzoazocines and dibenzoazepines via a microwave-assisted intramolecular A(3)-coupling reaction.","Organic letters","2010","12","12","2774","2777","10.1021/ol1008729","","","1.54178","CuKα","","0.0669","0.0554","","","0.1325","0.1731","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503012","6.454","0.005","14.297","0.012","16.313","0.015","90","","90","","90","","1505","2","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C68 H64 O12 S4 -","4","1","","Woods, Philip A.; Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Bragg, Ryan A.; Smith, Andrew D.","Isothiourea-mediated stereoselective C-acylation of silyl ketene acetals.","Organic letters","2010","12","11","2660","2663","10.1021/ol1008747","","","0.71073","MoKα","","0.1621","0.1384","","","0.2697","0.2918","","","","","","1.18","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503013","11.4008","0.0004","13.3756","0.0005","21.1753","0.0008","82.9872","0.0014","89.1283","0.0012","83.934","0.002","3187","0.2","173","","173","","","","","","","","LOC ETH Zurich","3","P -1","-P 1","2","","","","- C86 H68 O6 -","- C86 H68 O6 -","- C172 H136 O12 -","2","1","","Kissel, Patrick; van Heijst, Jeroen; Enning, Raoul; Stemmer, Andreas; Schlüter, A Dieter; Sakamoto, Junji","Macrocyclic amphiphiles with 1,8-anthrylene fluorophores: synthesis and attempts toward two-dimensional organization.","Organic letters","2010","12","12","2778","2781","10.1021/ol100877g","","","0.71073","MoKα","","0.1347","0.0796","","","0.1884","0.2217","","","","","","1.168","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503014","11.311","0.002","21.467","0.004","21.439","0.004","90","","103.77","0.03","90","","5056.1","1.7","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C53 H66 Cl4 O10 -","- C53 H66 Cl4 O10 -","- C212 H264 Cl16 O40 -","4","0.5","","Zhang, Zibin; Xia, Binyuan; Han, Chengyou; Yu, Yihua; Huang, Feihe","Syntheses of copillar[5]arenes by co-oligomerization of different monomers.","Organic letters","2010","12","15","3285","3287","10.1021/ol100883k","","","0.71073","MoKα","","0.061","0.0574","","","0.1586","0.161","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503015","12.187","0.002","14.65","0.003","22.05","0.004","87.84","0.03","87.6","0.03","72.39","0.03","3747.7","1.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C81 H124 O10 -","- C81 H124 O10 -","- C162 H248 O20 -","2","1","","Zhang, Zibin; Xia, Binyuan; Han, Chengyou; Yu, Yihua; Huang, Feihe","Syntheses of copillar[5]arenes by co-oligomerization of different monomers.","Organic letters","2010","12","15","3285","3287","10.1021/ol100883k","","","0.71073","MoKα","","0.0962","0.0601","","","0.159","0.1861","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503016","12.1826","0.0002","13.2648","0.0002","19.6464","0.0003","73.314","0.002","83.977","0.001","76.654","0.002","2956.49","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H90 O10 -","- C65 H90 O10 -","- C130 H180 O20 -","2","1","","Zhang, Zibin; Xia, Binyuan; Han, Chengyou; Yu, Yihua; Huang, Feihe","Syntheses of copillar[5]arenes by co-oligomerization of different monomers.","Organic letters","2010","12","15","3285","3287","10.1021/ol100883k","","","0.71073","MoKα","","0.0874","0.0757","","","0.1644","0.1685","","","","","","1.093","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"1503017","10.805","0.007","21.875","0.014","11.405","0.008","90","","95.354","0.011","90","","2684","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N O6 -","- C29 H27 N O6 -","- C116 H108 N4 O24 -","4","1","","Ye, Yang; Wang, Hua; Fan, Renhua","Stereoselective construction of highly functionalized azetidines via a [2 + 2]-cycloaddition.","Organic letters","2010","12","12","2802","2805","10.1021/ol100885f","","","0.71073","MoKα","","0.1424","0.0649","","","0.1653","0.1928","","","","","","0.802","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503018","9.1592","0.0003","11.2121","0.0003","17.3903","0.0004","90","","90","","90","","1785.88","0.09","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N3 O4 -","- C18 H16 Br N3 O4 -","- C72 H64 Br4 N12 O16 -","4","1","","Chen, Wen-Bing; Wu, Zhi-Jun; Pei, Qing-Lan; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly enantioselective construction of spiro[4H-pyran-3,3'-oxindoles] through a domino Knoevenagel/Michael/cyclization sequence catalyzed by cupreine.","Organic letters","2010","12","14","3132","3135","10.1021/ol1009224","","","0.71073","MoKα","","0.0534","0.0283","","","0.0497","0.0513","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503019","8.4603","0.0003","10.6883","0.0003","14.7189","0.0005","90","","95.992","0.002","90","","1323.7","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H47 Br O3 Si -","- C24 H47 Br O3 Si -","- C48 H94 Br2 O6 Si2 -","2","1","","Li, Hao; Loh, Teck-Peng","A facile method for the synthesis of highly substituted six-membered rings: Mukaiyama-Aldol-Prins cascade reaction.","Organic letters","2010","12","12","2679","2681","10.1021/ol100937r","","","0.71073","MoKα","","0.0569","0.0361","","","0.0793","0.1187","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503020","7.3374","0.0001","7.4795","0.0001","25.3435","0.0005","90","","90","","90","","1390.85","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1'R,2'S,3a'R,4'S,7a'S)-1'-hydroxy-3a',4'-dimethyl-4-methylenedecahydro-2H-spiro[furan-3,2'-inden]-2-one","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Phillips, Eric M.; Roberts, John M.; Scheidt, Karl A.","Catalytic enantioselective total syntheses of bakkenolides I, J, and S: application of a carbene-catalyzed desymmetrization.","Organic letters","2010","12","12","2830","2833","10.1021/ol100938j","","","0.71073","MoKα","","0.0412","0.0361","","","0.0946","0.0975","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503021","10.8049","0.0002","17.5738","0.0003","21.5909","0.0004","90","","90","","90","","4099.75","0.13","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 Cl N2 O12 S2 -","- C41 H39 Cl N2 O12 S2 -","- C164 H156 Cl4 N8 O48 S8 -","4","1","","Mascitti, Vincent; Préville, Cathy","Stereoselective synthesis of a dioxa-bicyclo[3.2.1]octane SGLT2 inhibitor.","Organic letters","2010","12","13","2940","2943","10.1021/ol100940w","","","1.54178","CuKα","","0.0341","0.0314","","","0.0859","0.0887","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503022","18.025","0.004","12.343","0.003","12.143","0.002","90","","120.46","0.03","90","","2328.7","1.1","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C30 H29 N -","- C30 H29 N -","- C120 H116 N4 -","4","1","","Wang, Yuxing; Liao, Qian; Xi, Chanjuan","Copper-catalyzed amination of alkenyl halides: efficient method for the synthesis of enamines.","Organic letters","2010","12","13","2951","2953","10.1021/ol1009416","","","0.71073","MoKα","","0.0417","0.041","","","0.1152","0.1159","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503023","8.578","0.008","13.005","0.012","17.753","0.018","90","","100.882","0.011","90","","1945","3","100.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Fukui, Hiroki; Fukushi, Yukiharu","NMR determinations of the absolute configuration of alpha-chiral primary amines.","Organic letters","2010","12","12","2856","2859","10.1021/ol100951s","","","0.7107","MoKα","","","0.091","","","","0.1889","","","","","","1.143","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503024","6.8545","0.0019","15.086","0.004","25.353","0.007","90","","90","","90","","2621.7","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H46 O4 Si2 -","- C21 H46 O4 Si2 -","- C84 H184 O16 Si8 -","4","1","","Paudyal, Mahesh P.; Rath, Nigam P.; Spilling, Christopher D.","A formal synthesis of the C1-C9 fragment of amphidinolide C employing the Tamaru reaction.","Organic letters","2010","12","13","2954","2957","10.1021/ol100959a","","","0.71073","MoKα","","0.1681","0.0772","","","0.1759","0.2151","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503025","18.6734","0.0005","8.9202","0.0007","11.2248","0.0006","90","","90","","90","","1869.72","0.18","150","1","150","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Candito, David A.; Lautens, Mark","Exploiting the chemistry of strained rings: synthesis of indoles via domino reaction of aryl iodides with 2H-azirines.","Organic letters","2010","12","15","3312","3315","10.1021/ol100975b","","","0.71073","MoKα","","0.0966","0.0479","","","0.1","0.1204","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503026","3.842","0.008","7.434","0.002","15.223","0.006","90","","90.34","0.01","90","","434.8","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,8-dichlorobenzo[1,2-c;4,5-c']bis[1,2,5]thiadiazole","","- C6 Cl2 N4 S2 -","- C6 Cl2 N4 S2 -","- C12 Cl4 N8 S4 -","2","0.5","","Tam, Teck Lip; Li, Hairong; Wei, Fengxia; Tan, Ke Jie; Kloc, Christian; Lam, Yeng Ming; Mhaisalkar, Subodh G.; Grimsdale, Andrew C.","One-pot synthesis of 4,8-dibromobenzo[1,2-c;4,5-c']bis[1,2,5]thiadiazole.","Organic letters","2010","12","15","3340","3343","10.1021/ol100989v","","","0.71073","MoKα","","0.0292","0.0246","","","0.0659","0.0674","","","","1.86","1.86","1.58","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503027","11.5513","0.0015","14.519","0.002","14.9112","0.0015","90","","93.411","0.01","90","","2496.4","0.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B N2 O2 -","- C11 H19 B N2 O2 -","- C88 H152 B8 N16 O16 -","8","2","","Solovyev, Andrey; Ueng, Shau-Hua; Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Curran, Dennis P.","Estimated rate constants for hydrogen abstraction from N-heterocyclic carbene-borane complexes by an alkyl radical.","Organic letters","2010","12","13","2998","3001","10.1021/ol101014q","","","0.71073","MoKα","","0.1131","0.0715","","0.1982","0.1681","0.1981","","","","","","0.9959","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503028","10.567","0.005","10.864","0.004","10.851","0.009","90","","117.492","0.006","90","","1105","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 B N2 -","- C9 H19 B N2 -","- C36 H76 B4 N8 -","4","1","","Solovyev, Andrey; Ueng, Shau-Hua; Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Curran, Dennis P.","Estimated rate constants for hydrogen abstraction from N-heterocyclic carbene-borane complexes by an alkyl radical.","Organic letters","2010","12","13","2998","3001","10.1021/ol101014q","","","0.71073","MoKα","","0.1004","0.0512","","","0.1195","0.1376","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503029","12.0628","0.0017","11.1517","0.0009","12.1983","0.0016","90","","109.424","0.009","90","","1547.5","0.3","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","Solovyev, Andrey; Ueng, Shau-Hua; Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacôte, Emmanuel; Curran, Dennis P.","Estimated rate constants for hydrogen abstraction from N-heterocyclic carbene-borane complexes by an alkyl radical.","Organic letters","2010","12","13","2998","3001","10.1021/ol101014q","","","0.71073","MoKα","","0.1381","0.0604","","0.1681","0.1374","0.1681","","","","","","0.9022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503030","13.4028","0.0002","13.4028","0.0002","41.9587","0.0014","90","","90","","120","","6527.5","0.3","150","2","150","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C41 H55 N4 O11.5 -","- C41 H50 N4 O9 -","- C246 H300 N24 O54 -","6","1","","Fairweather, Kelly A.; Sayyadi, Nima; Luck, Ian J.; Clegg, Jack K.; Jolliffe, Katrina A.","Synthesis of all-L cyclic tetrapeptides using pseudoprolines as removable turn inducers.","Organic letters","2010","12","14","3136","3139","10.1021/ol101018w","","","0.71073","MoKα","","0.0641","0.0536","","","0.1462","0.1523","","","","","","1.084","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"1503031","7.3154","0.0011","15.339","0.002","21.853","0.003","90","","91.224","0.003","90","","2451.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H41 N O4 Si -","- C24 H41 N O4 Si -","- C96 H164 N4 O16 Si4 -","4","1","","Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.","A synthesis of the carbocyclic core of maoecrystal V.","Organic letters","2010","12","13","3010","3013","10.1021/ol101025r","","","0.71073","MoKα","","0.1436","0.0645","","","0.1338","0.1599","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503032","15.8878","0.0005","11.8265","0.0004","13.325","0.0004","90","","104.477","0.002","90","","2424.23","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 N O5 Si -","- C24 H41 N O5 Si -","- C96 H164 N4 O20 Si4 -","4","1","","Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.","A synthesis of the carbocyclic core of maoecrystal V.","Organic letters","2010","12","13","3010","3013","10.1021/ol101025r","","","1.54178","CuKα","","0.0635","0.0463","","","0.1342","0.1692","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503033","10.329","0.003","12.915","0.004","35.149","0.014","90","","95.424","0.01","90","","4668","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 O3 Si -","- C24 H40 O3 Si -","- C192 H320 O24 Si8 -","8","2","","Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.","A synthesis of the carbocyclic core of maoecrystal V.","Organic letters","2010","12","13","3010","3013","10.1021/ol101025r","","","1.54178","CuKα","","0.0553","0.0481","","","0.1262","0.1304","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503034","11.2417","0.0002","12.5001","0.0002","12.3596","0.0002","90","","111.39","0.001","90","","1617.17","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.","A synthesis of the carbocyclic core of maoecrystal V.","Organic letters","2010","12","13","3010","3013","10.1021/ol101025r","","","0.71073","MoKα","","0.0625","0.0544","","","0.1595","0.1631","","","","","","1.169","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503035","20.0329","0.0005","6.5664","0.0002","17.1418","0.0004","90","","90","","90","","2254.9","0.1","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H40 O3 Si -","- C24 H40 O3 Si -","- C96 H160 O12 Si4 -","4","1","","Lazarski, Kiel E.; Hu, Dennis X.; Stern, Charlotte L.; Thomson, Regan J.","A synthesis of the carbocyclic core of maoecrystal V.","Organic letters","2010","12","13","3010","3013","10.1021/ol101025r","","","1.54178","CuKα","","0.0289","0.0287","","","0.0762","0.0765","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503036","11.5178","0.0017","9.26","0.0014","18.695","0.003","90","","95.335","0.003","90","","1985.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O7 -","- C22 H23 N O7 -","- C88 H92 N4 O28 -","4","1","","Chattopadhyay, Kalicharan; Jana, Ranjan; Day, Victor W.; Douglas, Justin T.; Tunge, Jon A.","Mechanistic origin of the stereodivergence in decarboxylative allylation.","Organic letters","2010","12","13","3042","3045","10.1021/ol101042x","","","0.71073","MoKα","","0.0725","0.0569","","","0.129","0.1379","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503037","8.8899","0.0014","13.526","0.002","15.808","0.003","76.043","0.003","82.036","0.003","75.272","0.003","1778.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C84 H88 O20 -","4","2","","Chattopadhyay, Kalicharan; Jana, Ranjan; Day, Victor W.; Douglas, Justin T.; Tunge, Jon A.","Mechanistic origin of the stereodivergence in decarboxylative allylation.","Organic letters","2010","12","13","3042","3045","10.1021/ol101042x","","","0.71073","MoKα","","0.0764","0.059","","","0.1218","0.1298","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503038","11.535","0.004","15.772","0.005","20.813","0.007","81.708","0.012","89.14","0.02","85.925","0.019","3737","2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 Cl8 O6 S8 -","- C68 H56 O6 S8 -","- C136 H112 O12 S16 -","2","1","","Shao, Min; Dongare, Prateek; Dawe, Louise N.; Thompson, David W.; Zhao, Yuming","Biscrown-annulated TTFAQ-dianthracene hybrid: synthesis, structure, and metal ion sensing.","Organic letters","2010","12","13","3050","3053","10.1021/ol1010467","","","0.71075","MoKα","","0.1112","0.0959","","","0.2788","0.3022","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503039","16.143","0.003","6.4594","0.0013","17.674","0.004","90","","116.29","0.03","90","","1652.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N3 O3 -","- C18 H21 N3 O3 -","- C72 H84 N12 O12 -","4","1","","Chu, Wei-Jun; Yang, Yong; Chen, Chuan-Feng","Multiple hydrogen-bond-mediated molecular duplexes based on the self-complementary amidourea motif.","Organic letters","2010","12","14","3156","3159","10.1021/ol101068n","","","1.54178","CuKα","","0.0511","0.0432","","","0.1041","0.1083","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503040","8.6711","0.0009","8.765","0.0009","24.82","0.003","97.279","0.002","92.24","0.002","117.315","0.002","1652.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H50 N2 O3 -","- C39 H50 N2 O3 -","- C78 H100 N4 O6 -","2","1","","Curiel, David; Más-Montoya, Miriam; Uruvakili, Anasuyama; Orenes, Raúl A; Pallamreddy, Haranath; Molina, Pedro","Synthesis and characterization of new carbazolocarbazoles: toward pi-extended N-fused heteroacenes","Organic letters","2010","12","14","3164","3167","10.1021/ol101076m","","","0.71073","MoKα","","0.0974","0.0702","","","0.1945","0.2128","","","","","","1.059","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1503041","3.8217","0.0008","19.331","0.004","16.505","0.003","90","","92.7","0.03","90","","1218","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Moustafa, Mahmoud M Abd Rabo; Pagenkopf, Brian L.","Synthesis of 5-azaindoles via a cycloaddition reaction between nitriles and donor-acceptor cyclopropanes.","Organic letters","2010","12","14","3168","3171","10.1021/ol101078z","","","0.71073","MoKα","","0.0804","0.0461","","","0.1046","0.1208","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503042","12.2495","0.0014","9.5744","0.0011","17.716","0.002","90","","103.227","0.003","90","","2022.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O5 -","- C25 H19 N O5 -","- C100 H76 N4 O20 -","4","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.0462","0.0379","","","0.0947","0.1011","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503043","33.018","0.0015","11.8272","0.0007","9.8005","0.0004","90","","103.131","0.003","90","","3727.1","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 Cl N2 O3 -","- C23 H13 Cl N2 O3 -","- C184 H104 Cl8 N16 O24 -","8","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.0774","0.0586","","","0.1378","0.1471","","","","","","1.504","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503044","12.4771","0.001","12.5044","0.001","12.6807","0.001","113.793","0.003","99.156","0.004","114.617","0.004","1513.1","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H43 O2 P -","- C34 H43 O2 P -","- C68 H86 O4 P2 -","2","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.0793","0.059","","","0.155","0.1751","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503045","8.2518","0.0005","8.748","0.0005","20.7225","0.0013","84.633","0.004","84.557","0.003","82.321","0.004","1470.83","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 N O5 P -","- C30 H42 N O5 P -","- C60 H84 N2 O10 P2 -","2","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.0919","0.0546","","","0.1382","0.1628","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503046","13.0677","0.0003","13.0609","0.0003","15.1264","0.0005","90","","100.924","0.001","90","","2534.93","0.12","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 N O P -","- C28 H38 N O P -","- C112 H152 N4 O4 P4 -","4","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.1147","0.0614","","","0.1367","0.1685","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503047","23.91","0.0007","10.4217","0.0003","28.342","0.0008","90","","108.506","0.002","90","","6697.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 Cl O3 P -","- C34 H44 Cl O3 P -","- C272 H352 Cl8 O24 P8 -","8","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.1163","0.0561","","","0.1336","0.1623","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503048","9.8049","0.0008","11.3545","0.0009","12.1899","0.001","105.88","0.004","93.794","0.004","100.857","0.004","1271.95","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H18 Br2 O2 -","- C29 H18 Br2 O2 -","- C58 H36 Br4 O4 -","2","1","","Kao, Tzu-Ting; Syu, Siang-en; Jhang, Yi-Wun; Lin, Wenwei","Preparation of tetrasubstituted furans via intramolecular Wittig reactions with phosphorus ylides as intermediates.","Organic letters","2010","12","13","3066","3069","10.1021/ol101080q","","","0.71073","MoKα","","0.0843","0.0531","","","0.1604","0.1894","","","","","","0.677","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503049","8.0218","0.0008","14.6605","0.0014","18.8312","0.0018","90","","96.776","0.002","90","","2199.1","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N6 O3 -","- C22 H24 N6 O3 -","- C88 H96 N24 O12 -","4","2","","Yan, Wuming; Wang, Qiaoyi; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Iron-catalyzed C-O bond activation for the synthesis of propargyl-1,2,3-triazoles and 1,1-bis-triazoles.","Organic letters","2010","12","15","3308","3311","10.1021/ol101082v","","","0.71073","MoKα","","0.1346","0.0628","","","0.1339","0.1678","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503050","15.3847","0.0012","5.6909","0.0004","40.749","0.003","90","","96.166","0.001","90","","3547","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C184 H136 N24 -","8","2","","Yan, Wuming; Wang, Qiaoyi; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Iron-catalyzed C-O bond activation for the synthesis of propargyl-1,2,3-triazoles and 1,1-bis-triazoles.","Organic letters","2010","12","15","3308","3311","10.1021/ol101082v","","","0.71073","MoKα","","0.0933","0.0541","","","0.1308","0.1519","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503051","18.133","0.004","12.922","0.003","9.6356","0.0019","90","","102.83","0.03","90","","2201.4","0.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C108 H100 N4 O12 S4 -","4","1","","Li, Changkun; Zhang, Hang; Feng, Jiajie; Zhang, Yan; Wang, Jianbo","Rh(I)-catalyzed carbonylative carbocyclization of tethered ene- and yne-cyclopropenes.","Organic letters","2010","12","13","3082","3085","10.1021/ol101091r","","","0.71073","MoKα","","0.0937","0.0525","","","0.0998","0.1051","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503052","21.763","0.004","10.484","0.002","23.818","0.005","90","","111.79","0.03","90","","5046","2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C240 H232 N8 O24 S8 -","8","1","","Li, Changkun; Zhang, Hang; Feng, Jiajie; Zhang, Yan; Wang, Jianbo","Rh(I)-catalyzed carbonylative carbocyclization of tethered ene- and yne-cyclopropenes.","Organic letters","2010","12","13","3082","3085","10.1021/ol101091r","","","0.71073","MoKα","","0.0834","0.0427","","","0.0584","0.0607","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503053","24.46","0.005","7.3613","0.0015","12.014","0.002","90","","92.99","0.03","90","","2160.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 S -","- C26 H25 N O2 S -","- C104 H100 N4 O8 S4 -","4","1","","Li, Changkun; Zhang, Hang; Feng, Jiajie; Zhang, Yan; Wang, Jianbo","Rh(I)-catalyzed carbonylative carbocyclization of tethered ene- and yne-cyclopropenes.","Organic letters","2010","12","13","3082","3085","10.1021/ol101091r","","","0.71073","MoKα","","0.1132","0.046","","","0.0799","0.0839","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503054","13.092","0.008","12.645","0.008","23.224","0.016","90","","106.336","0.009","90","","3689","4","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H67 Br P2 Pd -","- C36 H67 Br P2 Pd -","- C144 H268 Br4 P8 Pd4 -","4","1","","Li, Hongbo; Grasa, Gabriela A.; Colacot, Thomas J.","A highly efficient, practical, and general route for the synthesis of (R3P)2Pd(0): structural evidence on the reduction mechanism of Pd(II) to Pd(0).","Organic letters","2010","12","15","3332","3335","10.1021/ol101106z","","","0.71073","MoKα","","0.0345","0.0274","","","0.0699","0.0727","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503055","10.5941","0.0016","6.5221","0.0009","15.431","0.002","90","","104.263","0.002","90","","1033.4","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Br2 O2 Pd2 -","- C18 H30 Br2 O2 Pd2 -","- C36 H60 Br4 O4 Pd4 -","2","0.5","","Li, Hongbo; Grasa, Gabriela A.; Colacot, Thomas J.","A highly efficient, practical, and general route for the synthesis of (R3P)2Pd(0): structural evidence on the reduction mechanism of Pd(II) to Pd(0).","Organic letters","2010","12","15","3332","3335","10.1021/ol101106z","","","0.71073","MoKα","","0.0502","0.0447","","","0.1192","0.124","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503056","27.553","0.018","8.908","0.006","17.38","0.012","90","","125.364","0.009","90","","3479","4","138","2","138","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 O4 P -","- C20 H19 O4 P -","- C160 H152 O32 P8 -","8","1","","Zhang, Dong; Celaje, Jeff A.; Agua, Alon; Doan, Chad; Stewart, Timothy; Bau, Robert; Selke, Matthias","Photooxidation of mixed aryl and biarylphosphines.","Organic letters","2010","12","13","3100","3103","10.1021/ol101122u","","","0.71073","MoKα","","0.096","0.064","","","0.1649","0.1898","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503057","9.336","0.002","12.036","0.003","15.354","0.004","90","","101.625","0.004","90","","1689.9","0.7","155","2","155","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 O3 P -","- C20 H19 O3 P -","- C80 H76 O12 P4 -","4","1","","Zhang, Dong; Celaje, Jeff A.; Agua, Alon; Doan, Chad; Stewart, Timothy; Bau, Robert; Selke, Matthias","Photooxidation of mixed aryl and biarylphosphines.","Organic letters","2010","12","13","3100","3103","10.1021/ol101122u","","","0.71073","MoKα","","0.0623","0.0463","","","0.1211","0.1293","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503058","14.141","0.002","10.6057","0.0017","18.01","0.003","90","","109.354","0.007","90","","2548.4","0.7","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H50 Fe2 O2 -","- C72 H50 Fe2 O2 -","- C144 H100 Fe4 O4 -","2","0.5","","Morisaki, Yasuhiro; Sawamura, Toshiyuki; Murakami, Takuya; Chujo, Yoshiki","Synthesis of anthracene-stacked oligomers and polymer.","Organic letters","2010","12","14","3188","3191","10.1021/ol1011295","","","0.71075","MoKα","","0.1215","0.0569","","","0.1095","0.1307","","","","","","0.933","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503059","16.5169","0.0009","5.7641","0.0003","50.954","0.003","90","","90","","90","","4851.1","0.5","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3R,3aS,3a1R,4S,6aR,9aS)-tert-butyl 4-(3,5-dimethoxyphenyl)-9a-hydroxy- 3-methyl-2,3,3a,3a1,4,6a,7,8,9,9a-decahydro-1H-benzo[de]quinoline-1-carboxylate","","- C26 H37 N O5 -","- C26 H37 N O5 -","- C208 H296 N8 O40 -","8","2","","Burke, Jason P.; Sabat, Michal; Iovan, Diana A.; Myers, William H.; Chruma, Jason J.","Exploring the original proposed biosynthesis of (+)-symbioimine: remote exocyclic stereocontrol in a type I IMDA reaction.","Organic letters","2010","12","14","3192","3195","10.1021/ol101141a","","","0.71073","MoKα","","0.1501","0.0503","","","0.075","0.0959","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503060","9.757","0.008","29.99","0.02","11.97","0.009","90","","98.61","0.019","90","","3463","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H20 N4 O7 -","- C16 H20 N4 O7 -","- C128 H160 N32 O56 -","8","4","","Medeiros, Matthew R.; Narayan, Radha S.; McDougal, Nolan T.; Schaus, Scott E.; Porco, Jr, John A","Skeletal diversity via cationic rearrangements of substituted dihydropyrans.","Organic letters","2010","12","14","3222","3225","10.1021/ol101144k","","","1.54178","CuKα","","0.0242","0.0238","","","0.0628","0.0631","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503061","11.9147","0.0015","20.442","0.003","18.076","0.002","90","","97.6","0.004","90","","4363.9","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Triazacalix[3]pyrrole","","","- C21 H32 N6 O -","- C21 H32 N6 O -","- C168 H256 N48 O8 -","8","2","","Mani, Ganesan; Jana, Debasish; Kumar, Rajnish; Ghorai, Debasish","Azatripyrrolic and azatetrapyrrolic macrocycles from the Mannich reaction of pyrrole: receptors for anions.","Organic letters","2010","12","14","3212","3215","10.1021/ol101159q","","","0.71073","MoKα","","0.15","0.0981","","","0.2832","0.3145","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503062","12.9325","0.0018","14.018","0.0018","17.516","0.002","90","","109.805","0.004","90","","2987.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetraazacalix[4]pyrrole(Methyl)","","","- C28 H42 N8 O -","- C28 H42 N8 O -","- C112 H168 N32 O4 -","4","1","","Mani, Ganesan; Jana, Debasish; Kumar, Rajnish; Ghorai, Debasish","Azatripyrrolic and azatetrapyrrolic macrocycles from the Mannich reaction of pyrrole: receptors for anions.","Organic letters","2010","12","14","3212","3215","10.1021/ol101159q","","","0.71073","MoKα","","0.1906","0.0626","","","0.1001","0.131","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503063","17.429","0.003","13.793","0.002","15.399","0.002","90","","114.644","0.004","90","","3364.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetraazacalix[4]pyrrole(Et)","","","- C32 H50 N8 O -","- C32 H50 N8 O -","- C128 H200 N32 O4 -","4","1","","Mani, Ganesan; Jana, Debasish; Kumar, Rajnish; Ghorai, Debasish","Azatripyrrolic and azatetrapyrrolic macrocycles from the Mannich reaction of pyrrole: receptors for anions.","Organic letters","2010","12","14","3212","3215","10.1021/ol101159q","","","0.71073","MoKα","","0.0906","0.0522","","","0.1173","0.1385","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503064","9.706","0.001","11.437","0.001","12.864","0.001","92.632","0.002","108.562","0.002","103.893","0.002","1302.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","in manuscript 8a","3-[(E)-3-(4-Methoxyphenyl)-1-phenyl-3-pyrroliden-1-yl-prop-2-en-(E)-yliden]-1,3-dihydroindol-2-one","","- C29 H27.33 Cl2.67 N2 O2 -","- C29 H27.33 Cl2.67 N2 O2 -","- C58 H54.66 Cl5.34 N4 O4 -","2","1","","D'Souza, Daniel M; Muschelknautz, Christian; Rominger, Frank; Müller, Thomas J J","Unusual solid-state luminescent push-pull indolones: a general one-pot three-component approach.","Organic letters","2010","12","15","3364","3367","10.1021/ol101165m","","","0.71073","MoKα","","0.0709","0.0519","","","0.1384","0.1511","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503065","19.1627","0.0007","9.8124","0.0004","19.8246","0.0008","90","","97.067","0.001","90","","3699.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","in manuscript 8k","4-[(E)-1-[Hexyl-(4-methoxybenzyl)-amino]-3-[1-methansulfonyl-2-oxo-1,2-dihydroindol-(3E)-yliden]-3-(4-methoxyphenyl)-propenyl]-benzonitrile","","- C40 H41 N3 O5 S -","- C40 H41 N3 O5 S -","- C160 H164 N12 O20 S4 -","4","1","","D'Souza, Daniel M; Muschelknautz, Christian; Rominger, Frank; Müller, Thomas J J","Unusual solid-state luminescent push-pull indolones: a general one-pot three-component approach.","Organic letters","2010","12","15","3364","3367","10.1021/ol101165m","","","0.71073","MoKα","","0.0766","0.0457","","","0.1128","0.131","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503066","9.8525","0.0006","12.4298","0.0008","13.0648","0.0009","71.504","0.001","77.486","0.001","75.275","0.001","1451.26","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","in manuscript 8n","3-[(E)-1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-3-morpholin-4-yl-prop-2-en-(E)-yliden]-1-methansulfonyl-1,3-dihydroindol-2-one","","- C30 H29 Cl3 N2 O5 S -","- C30 H29 Cl3 N2 O5 S -","- C60 H58 Cl6 N4 O10 S2 -","2","1","","D'Souza, Daniel M; Muschelknautz, Christian; Rominger, Frank; Müller, Thomas J J","Unusual solid-state luminescent push-pull indolones: a general one-pot three-component approach.","Organic letters","2010","12","15","3364","3367","10.1021/ol101165m","","","0.71073","MoKα","","0.0395","0.0334","","","0.0883","0.0927","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503067","9.682","0.0003","9.9137","0.0004","19.0085","0.0007","90","","90","","90","","1824.52","0.11","153.1","","153.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","","Xu, Yingjie; Matsunaga, Shigeki; Shibasaki, Masakatsu","syn-Selective catalytic asymmetric 1,4-addition of alpha-ketoanilides to nitroalkenes under dinuclear nickel catalysis.","Organic letters","2010","12","14","3246","3249","10.1021/ol101185p","","","1.54187","CuKα","","","0.0311","","","","0.08","","","","","","1.109","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503068","6.24","0.003","7.706","0.003","12.861","0.005","90","","98.015","0.007","90","","612.4","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 Br O -","- C14 H15 Br O -","- C28 H30 Br2 O2 -","2","1","","Yang, Hua; Carter, Rich G.","Synthesis of all-carbon, quaternary center-containing cyclohexenones through an organocatalyzed, multicomponent coupling.","Organic letters","2010","12","13","3108","3111","10.1021/ol1011955","","","0.71073","MoKα","","0.0382","0.0327","","","0.0638","0.0688","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503069","6.508","0.002","10.191","0.003","12.222","0.004","91.608","0.006","103.611","0.005","101.668","0.005","769.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 Cl O -","- C19 H17 Cl O -","- C38 H34 Cl2 O2 -","2","1","","Yang, Hua; Carter, Rich G.","Synthesis of all-carbon, quaternary center-containing cyclohexenones through an organocatalyzed, multicomponent coupling.","Organic letters","2010","12","13","3108","3111","10.1021/ol1011955","","","0.71073","MoKα","","0.0525","0.0408","","","0.0977","0.1065","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503070","10.8594","0.0005","21.0813","0.0008","23.1923","0.001","90","","90","","90","","5309.4","0.4","296.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H52 Cl2 N2 O2 P2 Ru -","- C53 H52 Cl2 N2 O2 P2 Ru -","- C212 H208 Cl8 N8 O8 P8 Ru4 -","4","1","","Arai, Noriyoshi; Akashi, Masaya; Sugizaki, Satoshi; Ooka, Hirohito; Inoue, Tsutomu; Ohkuma, Takeshi","Asymmetric hydrogenation of bicyclic ketones catalyzed by BINAP/IPHAN-Ru(II) complex.","Organic letters","2010","12","15","3380","3383","10.1021/ol101200z","","","0.71075","MoKα","","","0.0492","","","","0.1513","","","","","","0.961","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503071","8.673","0.004","10.421","0.005","17.737","0.008","100.899","0.005","94.817","0.005","114.075","0.006","1413.8","1.1","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C11.5 H14.5 B Cl1.5 N3 O2 -","- C11.5 H14.5 B Cl1.5 N3 O2 -","- C46 H58 B4 Cl6 N12 O8 -","4","2","","Ito, Hiroshi; Yumura, Kyohei; Saigo, Kazuhiko","Synthesis, characterization, and binding property of isoelectronic analogues of nucleobases, B(6)-substituted 5-aza-6-borauracils and -thymines.","Organic letters","2010","12","15","3386","3389","10.1021/ol1012058","","","0.7107","MoKα","","0.0988","0.0854","","","0.2533","0.2686","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503072","8.789","0.005","12.196","0.005","12.799","0.005","83.32","0.005","86.166","0.005","71.603","0.005","1292.3","1","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 B N3 O2 -","- C12 H16 B N3 O2 -","- C48 H64 B4 N12 O8 -","4","2","","Ito, Hiroshi; Yumura, Kyohei; Saigo, Kazuhiko","Synthesis, characterization, and binding property of isoelectronic analogues of nucleobases, B(6)-substituted 5-aza-6-borauracils and -thymines.","Organic letters","2010","12","15","3386","3389","10.1021/ol1012058","","","0.71069","MoKα","","0.0517","0.0454","","","0.132","0.1384","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503073","8.135","0.004","11.106","0.005","14.144","0.006","68.629","0.018","74.897","0.019","77.76","0.02","1139.1","0.9","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 B Cl3 N6 O2 -","- C18 H24 B Cl3 N6 O2 -","- C36 H48 B2 Cl6 N12 O4 -","2","1","","Ito, Hiroshi; Yumura, Kyohei; Saigo, Kazuhiko","Synthesis, characterization, and binding property of isoelectronic analogues of nucleobases, B(6)-substituted 5-aza-6-borauracils and -thymines.","Organic letters","2010","12","15","3386","3389","10.1021/ol1012058","","","0.7107","MoKα","","0.0835","0.0669","","","0.1657","0.1725","","","","","","0.801","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503074","6.8758","0.0004","10.8208","0.0007","12.6521","0.0006","108.628","0.002","94.419","0.002","101.34","0.002","864.64","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H25 Br2 In O2 -","- C13 H25 Br2 In O2 -","- C26 H50 Br4 In2 O4 -","2","1","","Nishimoto, Yoshihiro; Ueda, Hiroki; Inamoto, Yoshihiro; Yasuda, Makoto; Baba, Akio","Regioselective carboindation of simple alkenes with indium tribromide and ketene silyl acetals.","Organic letters","2010","12","15","3390","3393","10.1021/ol1012108","","","0.71075","MoKα","","0.0852","0.0794","","","0.1762","0.1805","","","","","","1.065","","","","has coordinates","288191","2023-12-08","16:39:51",""
"1503075","8.9488","0.0005","17.4208","0.0008","10.2343","0.0006","90","","110.248","0.002","90","","1496.88","0.14","123.1","","123.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Br4 In2 O4 -","- C22 H38 Br4 In2 O4 -","- C44 H76 Br8 In4 O8 -","2","0.5","","Nishimoto, Yoshihiro; Ueda, Hiroki; Inamoto, Yoshihiro; Yasuda, Makoto; Baba, Akio","Regioselective carboindation of simple alkenes with indium tribromide and ketene silyl acetals.","Organic letters","2010","12","15","3390","3393","10.1021/ol1012108","","","0.71075","MoKα","","","0.0581","","","","0.0687","","","","","","1.146","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503076","9.73374","0.00019","10.3541","0.0002","15.0615","0.0003","90","","82.338","0.0011","90","","1504.41","0.05","123.1","","123.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H23 N O -","- C17 H23 N O -","- C68 H92 N4 O4 -","4","1","","Nishimoto, Yoshihiro; Ueda, Hiroki; Inamoto, Yoshihiro; Yasuda, Makoto; Baba, Akio","Regioselective carboindation of simple alkenes with indium tribromide and ketene silyl acetals.","Organic letters","2010","12","15","3390","3393","10.1021/ol1012108","","","1.54187","CuKα","","","0.069","","","","0.0893","","","","","","0.943","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503077","7.387","0.001","11.854","0.001","15.835","0.002","90","","90","","90","","1386.6","0.3","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","guaianolide","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Navickas, Vaidotas; Ushakov, Dmitry B.; Maier, Martin E.; Ströbele, Markus; Meyer, H-Jürgen","Synthesis of the guaianolide ring system via cycloaddition of a bicyclic carbonyl ylide with allyl propiolate.","Organic letters","2010","12","15","3418","3421","10.1021/ol1012185","","","0.71073","MoKα","","0.0526","0.0405","","","0.0801","0.0833","","","","","","0.937","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503078","11.6103","0.0004","9.3464","0.0003","21.5764","0.0008","90","","104.928","0.001","90","","2262.33","0.14","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C112 H128 O16 -","8","2","","Butler, Jeffrey D.; Conrad, Wayne E.; Lodewyk, Michael W.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Synthesis of substituted chromanones: an organocatalytic aldol/oxa-Michael reaction.","Organic letters","2010","12","15","3410","3413","10.1021/ol101221c","","","1.54178","CuKα","","0.0372","0.0353","","","0.0922","0.0937","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503079","6.4749","0.0002","8.5245","0.0002","23.9058","0.0006","90","","90","","90","","1319.49","0.06","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O -","- C16 H22 O -","- C64 H88 O4 -","4","1","","Butler, Jeffrey D.; Conrad, Wayne E.; Lodewyk, Michael W.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Synthesis of substituted chromanones: an organocatalytic aldol/oxa-Michael reaction.","Organic letters","2010","12","15","3410","3413","10.1021/ol101221c","","","1.54178","CuKα","","0.0336","0.0335","","","0.09","0.09","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503080","6.7284","0.0011","19.087","0.003","10.4396","0.0017","90","","94.175","0.009","90","","1337.1","0.4","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H6 Cl O6 P W -","- C10 H6 Cl O6 P W -","- C40 H24 Cl4 O24 P4 W4 -","4","2","","Mao, Yanli; Mathey, Francois","From furans to phosphinines.","Organic letters","2010","12","15","3384","3385","10.1021/ol1012229","","","0.71073","MoKα","","0.0835","0.0746","","","0.1808","0.1913","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503081","10.0533","0.0004","10.6263","0.0004","13.1213","0.0005","66.685","0.002","78.952","0.001","84.021","0.001","1262.8","0.09","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 O13 P2 W2 -","- C20 H12 O13 P2 W2 -","- C40 H24 O26 P4 W4 -","2","1","","Mao, Yanli; Mathey, Francois","From furans to phosphinines.","Organic letters","2010","12","15","3384","3385","10.1021/ol1012229","","","0.71073","MoKα","","0.0303","0.026","","","0.0623","0.064","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503082","15.679","0.009","16.496","0.01","8.969","0.005","90","","95.185","0.011","90","","2310","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F6 N2 O3 -","- C25 H24 F6 N2 O3 -","- C100 H96 F24 N8 O12 -","4","1","","Prosser, Anthony R.; Banning, Joseph E.; Rubina, Marina; Rubin, Michael","Formal nucleophilic substitution of bromocyclopropanes with amides en route to conformationally constrained β-amino acid derivatives.","Organic letters","2010","12","18","3968","3971","10.1021/ol101228k","","","0.71073","MoKα","","0.1127","0.0893","","","0.2258","0.2443","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503083","8.3995","0.0011","12.2643","0.0016","17.383","0.002","90","","90","","90","","1790.7","0.4","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Ignatenko, Vasily A.; Deligonul, Nihal; Viswanathan, Rajesh","Branch-selective synthesis of oxindole and indene scaffolds: transition metal-controlled intramolecular aryl amidation leading to c3 reverse-prenylated oxindoles.","Organic letters","2010","12","16","3594","3597","10.1021/ol1012372","","","0.71073","MoKα","","0.0493","0.0385","","","0.0831","0.0867","","","","","","1.343","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503084","8.2499","0.0009","8.2499","0.0009","42.596","0.01","90","","90","","90","","2899.1","0.8","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C32 H50 N2 O4 -","- C32 H50 N2 O4 -","- C128 H200 N8 O16 -","4","1","","Yang, Yu-Rong; Lai, Zeng-Wei; Shen, Liang; Huang, Jiu-Zhong; Wu, Xing-De; Yin, Jun-Lin; Wei, Kun","Total synthesis of (-)-8-deoxyserratinine via an efficient Helquist annulation and double N-alkylation reaction.","Organic letters","2010","12","15","3430","3433","10.1021/ol1012444","","","0.71073","MoKα","","0.2421","0.0703","","","0.1091","0.1577","","","","","","0.914","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503085","9.977","0.002","5.5033","0.0011","13.198","0.003","90","","108.25","0.03","90","","688.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C32 H26 Br2 O4 -","2","1","","Chen, Zhengwang; Li, Jinghao; Jiang, Huanfeng; Zhu, Shifa; Li, Yibiao; Qi, Chaorong","Silver-catalyzed difunctionalization of terminal alkynes: highly regio- and stereoselective synthesis of (Z)-beta-haloenol acetates.","Organic letters","2010","12","14","3262","3265","10.1021/ol101251n","","","0.71073","MoKα","","0.1777","0.0495","","","0.0961","0.1643","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503086","12.8408","0.0005","15.1873","0.0006","18.453","0.0009","90","","97.9023","0.0015","90","","3564.5","0.3","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 Ni O P -","- C44 H49 Ni O P -","- C176 H196 Ni4 O4 P4 -","4","1","","Ogoshi, Sensuke; Nishimura, Akira; Ohashi, Masato","Nickel-catalyzed [2 + 2 + 2] cycloaddition of two enones and an alkyne.","Organic letters","2010","12","15","3450","3452","10.1021/ol101264r","","","0.71075","MoKα","","","0.0527","","","","0.132","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503087","10.2808","0.0003","15.2707","0.0005","12.1045","0.0004","90","","95.07","0.002","90","","1892.91","0.1","123","2","123","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H26 O2 -","- C24 H26 O2 -","- C96 H104 O8 -","4","1","","Ogoshi, Sensuke; Nishimura, Akira; Ohashi, Masato","Nickel-catalyzed [2 + 2 + 2] cycloaddition of two enones and an alkyne.","Organic letters","2010","12","15","3450","3452","10.1021/ol101264r","","","1.54186","CuKα","","0.0752","0.0509","","","0.1148","0.1421","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503088","6.08838","0.00012","37.5923","0.0007","9.11131","0.00017","90","","114.271","0.0012","90","","1901.04","0.07","123.1","","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 O2 -","- C24 H26 O2 -","- C96 H104 O8 -","4","1","","Ogoshi, Sensuke; Nishimura, Akira; Ohashi, Masato","Nickel-catalyzed [2 + 2 + 2] cycloaddition of two enones and an alkyne.","Organic letters","2010","12","15","3450","3452","10.1021/ol101264r","","","1.54187","CuKα","","","0.0416","","","","0.1048","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503089","21.4551","0.0014","28.4412","0.0019","8.9866","0.0006","90","","90","","90","","5483.7","0.6","100","1","100","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C95 H139 Cl9 N16 O22 -","- C95 H139 Cl9 N16 O22 -","- C190 H278 Cl18 N32 O44 -","2","0.5","","Fernandes, Carlos; Faure, Sophie; Pereira, Elisabeth; Théry, Vincent; Declerck, Valérie; Guillot, Régis; Aitken, David J.","12-Helix folding of cyclobutane beta-amino acid oligomers.","Organic letters","2010","12","16","3606","3609","10.1021/ol101267u","","x-ray","0.71073","MoKα","","0.0789","0.0637","","","0.1682","0.1808","","","","","","1.022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503090","15.444","0.004","7.4809","0.0017","14.862","0.003","90","","116.866","0.004","90","","1531.7","0.6","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C21 H12 N2 O2 -","- C21 H12 N2 O2 -","- C84 H48 N8 O8 -","4","1","","Saha, Sukdeb; Ghosh, Amrita; Mahato, Prasenjit; Mishra, Sandhya; Mishra, Sanjiv K.; Suresh, E.; Das, Satyabrata; Das, Amitava","Specific recognition and sensing of CN- in sodium cyanide solution.","Organic letters","2010","12","15","3406","3409","10.1021/ol101281x","","","0.71073","MoKα","","0.1114","0.0934","","","0.172","0.1798","","","","","","1.308","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503091","27.672","0.005","10.248","0.002","13.417","0.003","90","","90","","90","","3804.8","1.3","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C25 H16 Fe N2 O2 -","- C25 H16 Fe N2 O2 -","- C200 H128 Fe8 N16 O16 -","8","1","","Saha, Sukdeb; Ghosh, Amrita; Mahato, Prasenjit; Mishra, Sandhya; Mishra, Sanjiv K.; Suresh, E.; Das, Satyabrata; Das, Amitava","Specific recognition and sensing of CN- in sodium cyanide solution.","Organic letters","2010","12","15","3406","3409","10.1021/ol101281x","","","0.71073","MoKα","","0.0466","0.0382","","","0.1032","0.1105","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503092","15.2284","0.0007","17.6487","0.0008","17.8733","0.0009","90","","90","","90","","4803.7","0.4","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 F3 N O2 S -","- C26 H22 F3 N O2 S -","- C208 H176 F24 N8 O16 S8 -","8","1","","Minami, Yasunori; Kuniyasu, Hitoshi; Sanagawa, Atsushi; Kambe, Nobuaki","Pd-catalyzed regioselective iminothiolation of alkynes: a remarkable effect of the CF3 group of iminosulfides.","Organic letters","2010","12","17","3744","3747","10.1021/ol101289k","","","1.54187","CuKα","","0.079","0.0661","","","0.1704","0.1885","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503093","12.393","0.003","5.8186","0.0012","14.691","0.003","90","","111.21","0.03","90","","987.6","0.4","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H24 O -","- C26 H24 O -","- C52 H48 O2 -","2","1","","Chen, Zili; Zhang, Yu-Xin; Wang, Ya-Hui; Zhu, Li-Li; Liu, Heng; Li, Xiao-Xiao; Guo, Lin","Gold catalyzed diastereoselective cascade allylation/enyne cycloisomerization to construct densely functionalized oxygen heterocycles.","Organic letters","2010","12","15","3468","3471","10.1021/ol1012923","","","0.71073","MoKα","","0.0655","0.0441","","","0.0852","0.0959","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503094","23.7529","0.0009","6.5856","0.0003","17.3617","0.0007","90","","90.515","0.002","90","","2715.73","0.19","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","1S(R), 2R(S), 4R(S), 5S(R), 8R(S), 9S(R), 11S(R), 12R(S)- pentacyclo[10.2.2.2^5,8^.0^2,11^.0^4,9^]octadeca-6,13-diene-3,10-dione","","- C18 H20 O2 -","- C18 H20 O2 -","- C144 H160 O16 -","8","2","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0532","0.0442","","","0.1318","0.1423","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503095","23.8832","0.0002","23.8832","0.0002","6.3231","0.0001","90","","90","","120","","3123.53","0.06","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C162 H180 O18 -","9","0.5","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0492","0.0424","","","0.1566","0.1683","","","","","","1.359","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503096","10.9259","0.0015","11.4009","0.0016","14.825","0.003","100.201","0.008","96.264","0.008","115.471","0.005","1604.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","1,3-chlorohydrine","10-chlorotetracyclo[5.3.1.1^9,11^.0^1,6^]dodecan-12-ol","","- C12 H17 Cl O -","- C12 H17 Cl O -","- C72 H102 Cl6 O6 -","6","3","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.1013","0.0318","","","0.0939","0.1119","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503097","22.0572","0.0003","22.0572","0.0003","11.2664","0.0002","90","","90","","120","","4746.97","0.12","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","none","R(S)-2-chlorotetracyclo[7.2.1.0^3,8^.0^4,12^]dodecan-4-ol","","- C12 H17 Cl O -","- C12 H17 Cl O -","- C216 H306 Cl18 O18 -","18","1","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0291","0.0277","","","0.1395","0.1505","","","","","","0.712","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503098","11.5914","0.0007","14.8542","0.0009","21.2577","0.0012","90","","96.95","0.003","90","","3633.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","2-chlorotetracyclo[7.2.2.0^3,8^.0^3,10^]tridecan-11-ol","","- C13 H19 Cl O -","- C13 H18.3333 Cl O -","- C156 H220 Cl12 O12 -","12","3","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0622","0.0466","","","0.1369","0.1521","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503099","19.5539","0.0005","6.3547","0.0002","12.0615","0.0003","90","","100.778","0.002","90","","1472.31","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","test","test","","- C18 H21 Cl O2 -","- C18 H21 Cl O2 -","- C72 H84 Cl4 O8 -","4","1","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.1244","0.0689","","","0.1644","0.2094","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503100","18.9939","0.0003","7.0672","0.0001","21.2043","0.0004","90","","90","","90","","2846.33","0.08","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 Cl O2 -","- C18 H21 Cl O2 -","- C144 H168 Cl8 O16 -","8","1","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0325","0.0316","","","0.0895","0.0909","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503101","6.3057","0.0001","10.0701","0.0001","11.3997","0.0001","79.458","0.001","81.737","0.001","77.069","0.001","689.603","0.015","100","2","100","2","","","","","","","","3","P -1","-P 1","2","spirohemiacetal","spiro[13-hydroxy-3,12-dioxatetracyclo[5.2.2^5,8^.0^5,6^]tridecane- 4,5'-bicyclo[2.2.2]oct[2]ene]","","- C18 H22 O1.5 -","- C18 H22 O3 -","- C36 H44 O6 -","2","1","","Valiulin, Roman A.; Arisco, Teresa M.; Kutateladze, Andrei G.","Strained to the limit: when a cyclobutyl moiety becomes a thermodynamic sink in a protolytic ring-opening of photogenerated oxetanes.","Organic letters","2010","12","15","3398","3401","10.1021/ol101297b","","","0.71073","MoKα","","0.0417","0.0396","","","0.1138","0.1182","","","","","","0.614","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503102","10.613","0.003","10.756","0.003","33.591","0.008","90","","90","","90","","3834.5","1.8","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H55 Cl2 N O10 -","- C36 H51 Cl2 N O10 -","- C144 H204 Cl8 N4 O40 -","4","1","","Igarashi, Yasuhiro; Kim, Youngju; In, Yasuko; Ishida, Toshimasa; Kan, Yukiko; Fujita, Tsuyoshi; Iwashita, Takashi; Tabata, Hirokazu; Onaka, Hiroyasu; Furumai, Tamotsu","Alchivemycin A, a bioactive polycyclic polyketide with an unprecedented skeleton from Streptomyces sp.","Organic letters","2010","12","15","3402","3405","10.1021/ol1012982","","","0.71073","MoKα","","0.1058","0.087","","","0.2069","0.2197","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503103","9.5151","0.0016","9.9721","0.0017","10.8051","0.0018","86.882","0.002","89.898","0.002","75.105","0.002","989.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 F3 O -","- C24 H23 F3 O -","- C48 H46 F6 O2 -","2","1","","Yang, Chun-Ming; Jeganmohan, Masilamani; Parthasarathy, Kanniyappan; Cheng, Chien-Hong","Highly selective nickel-catalyzed three-component coupling of alkynes with enones and alkenyl boronic acids: a novel route to substituted 1,3-dienes","Organic Letters","2010","12","16","3610","3613","10.1021/ol101319f","","","0.71073","MoKα","","0.0669","0.0481","","","0.121","0.1329","","","","","","1.03","","","","has coordinates","218634","2020-10-21","18:00:00",""
"1503104","5.3565","0.0001","7.6392","0.0002","10.099","0.0002","76.068","0.001","85.27","0.001","86.338","0.001","399.308","0.015","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C19 H20 O4 -","1","1","","Yang, Chun-Ming; Jeganmohan, Masilamani; Parthasarathy, Kanniyappan; Cheng, Chien-Hong","Highly selective nickel-catalyzed three-component coupling of alkynes with enones and alkenyl boronic acids: a novel route to substituted 1,3-dienes","Organic Letters","2010","12","16","3610","3613","10.1021/ol101319f","","","0.71073","MoKα","","0.0322","0.0295","","","0.074","0.0757","","","","","","1.06","","","","has coordinates","218634","2020-10-21","18:00:00",""
"1503105","13.0998","0.0002","6.0571","0.0001","11.6096","0.0001","90","","98.514","0.001","90","","911.03","0.02","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 Cl F O2 -","- C11 H5 Cl F O2 -","- C44 H20 Cl4 F4 O8 -","4","1","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu","Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.","Organic letters","2010","12","17","3756","3759","10.1021/ol101338m","","","0.71073","MoKα","","0.0369","0.0308","","","0.093","0.1019","","","","","","0.439","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503106","9.124","0.0003","12.5563","0.0005","15.4232","0.0005","108.753","0.003","100.834","0.003","98.211","0.003","1603.59","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H34 F2 O4 -","- C58 H34 F2 O4 -","- C58 H34 F2 O4 -","1","0.5","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu","Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.","Organic letters","2010","12","17","3756","3759","10.1021/ol101338m","","","1.54184","CuKα","","0.1221","0.1104","","","0.3098","0.3192","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503107","37.353","0.006","15.704","0.002","7.5165","0.0011","90","","90","","90","","4409.1","1.1","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C56 H36 F2 N2 O5 -","- C56 H32 F2 N2 O5 -","- C224 H128 F8 N8 O20 -","4","0.5","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu","Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.","Organic letters","2010","12","17","3756","3759","10.1021/ol101338m","","","1.54248","CuKα","","0.1199","0.0716","","","0.167","0.1948","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503108","12.0725","0.0005","22.6806","0.001","32.2434","0.0014","84.168","0.004","85.204","0.004","74.958","0.004","8466.9","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H45 F N3 O12 S2 -","- C78 H45 F N3 O12 S2 -","- C312 H180 F4 N12 O48 S8 -","4","2","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu","Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.","Organic letters","2010","12","17","3756","3759","10.1021/ol101338m","","","1.54184","CuKα","","0.1952","0.1487","","","0.3563","0.3702","","","","","","1.841","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503109","8.572","0.003","9.6617","0.0015","13.723","0.002","93.667","0.013","92.869","0.018","96.67","0.017","1124.6","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H54 F2 N6 O8 -","- C48 H54 F2 N6 O8 -","- C48 H54 F2 N6 O8 -","1","0.5","","Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; White, Andrew J. P.; Drew, Michael G. B.; Gan, Yu","Bis(hydroxy-isoindolinone)s: synthesis, stereochemistry, polymer chemistry, and supramolecular assembly.","Organic letters","2010","12","17","3756","3759","10.1021/ol101338m","","","0.71073","MoKα","","0.0967","0.0586","","","0.1835","0.1964","","","","","","0.944","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503110","7.4222","0.0015","9.2295","0.0018","13.544","0.003","85","0.03","74.87","0.03","84.77","0.03","890","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C36 H48 O10 -","2","1","","Patel, Paresma R.; Boger, Dale L.","Intramolecular Diels-Alder reactions of cyclopropenone ketals.","Organic letters","2010","12","15","3540","3543","10.1021/ol101375a","","","0.71073","MoKα","","0.1396","0.0805","","","0.1532","0.1776","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503111","19.271","0.004","9.716","0.0019","17.52","0.004","90","","117.04","0.03","90","","2921.8","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","2","","Patel, Paresma R.; Boger, Dale L.","Intramolecular Diels-Alder reactions of cyclopropenone ketals.","Organic letters","2010","12","15","3540","3543","10.1021/ol101375a","","","0.71073","MoKα","","0.0732","0.0491","","","0.1098","0.1213","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503112","8.2637","0.0011","12.0452","0.0017","13.7503","0.0019","76.768","0.003","80.817","0.003","69.691","0.003","1244.7","0.3","223.1","","223.3","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 N3 O6 -","- C30 H21 N3 O6 -","- C60 H42 N6 O12 -","2","1","","Jones, Ian M.; Hamilton, Andrew D.","Designed molecular switches: controlling the conformation of benzamido-diphenylacetylenes.","Organic letters","2010","12","16","3651","3653","10.1021/ol101397y","","","0.71075","MoKα","","","0.0603","","","","0.145","","","","","","1.032","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503113","9.211","0.002","10.794","0.002","11.994","0.004","106.031","0.005","96.445","0.005","112.428","0.003","1027.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 Br2 O2 -","- C22 H28 Br2 O2 -","- C44 H56 Br4 O4 -","2","1","","Shenvi, Ryan A.; Corey, E. J.","Synthetic access to bent polycycles by cation-pi cyclization.","Organic letters","2010","12","15","3548","3551","10.1021/ol101410g","","","0.71073","MoKα","","0.0444","0.0316","","","0.0698","0.0739","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503114","19.335","0.002","7.4272","0.001","20.267","0.003","90","","104.272","0.002","90","","2820.6","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H68 Br4 O7 -","- C58 H68 Br4 O7 -","- C116 H136 Br8 O14 -","2","1","","Shenvi, Ryan A.; Corey, E. J.","Synthetic access to bent polycycles by cation-pi cyclization.","Organic letters","2010","12","15","3548","3551","10.1021/ol101410g","","","0.71073","MoKα","","0.0924","0.0559","","","0.1243","0.1317","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503115","13.6877","0.001","9.8076","0.0007","15.7743","0.0011","90","","90.763","0.003","90","","2117.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","","Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Fleming, Steven A.; Sieburth, Scott McN","Enyne [4 + 4] photocycloaddition: bridged 1,2,5-cyclooctatrienes.","Organic letters","2010","12","15","3296","3299","10.1021/ol1014174","","","0.71073","MoKα","","0.1239","0.0647","","","0.1582","0.1875","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503116","8.274","0.0009","10.2749","0.0011","23.741","0.003","90","","90","","90","","2018.3","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","10026a","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Li, Hongyan; Hsung, Richard P.; DeKorver, Kyle A.; Wei, Yonggang","Copper-catalyzed Ficini [2 + 2] cycloaddition of ynamides.","Organic letters","2010","12","17","3780","3783","10.1021/ol101418d","","","0.71073","MoKα","","0.0504","0.0371","","","0.0838","0.0911","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503117","5.7619","0.0001","19.3032","0.0002","29.1369","0.0005","90","","90","","90","","3240.7","0.09","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 Cl3 N2 O6 S -","- C33 H33 Cl3 N2 O6 S -","- C132 H132 Cl12 N8 O24 S4 -","4","1","","Li, Meiling; Dixon, Darren J.","Stereoselective spirolactam synthesis via palladium catalyzed arylative allene carbocyclization cascades.","Organic letters","2010","12","17","3784","3787","10.1021/ol101425y","","","0.71073","MoKα","","0.088","0.0517","","0.133","0.1024","0.133","","","","","","0.9472","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503118","8.8667","0.0018","9.048","0.0018","11.101","0.002","105.71","0.03","98.61","0.03","96.29","0.03","837.1","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Xu, Silong; Zou, Wen; Wu, Guiping; Song, Haibin; He, Zhengjie","Stereoselective synthesis of 1,2,3,4-tetrasubstituted dienes from allenoates and aldehydes: an observation of phosphine-induced chemoselectivity.","Organic letters","2010","12","15","3556","3559","10.1021/ol101429z","","","0.71073","MoKα","","0.0852","0.0618","","","0.1422","0.1508","","","","","","0.613","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503119","14.985","0.003","7.503","0.0014","15.386","0.003","90","","108.888","0.011","90","","1636.7","0.6","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Xu, Silong; Zou, Wen; Wu, Guiping; Song, Haibin; He, Zhengjie","Stereoselective synthesis of 1,2,3,4-tetrasubstituted dienes from allenoates and aldehydes: an observation of phosphine-induced chemoselectivity.","Organic letters","2010","12","15","3556","3559","10.1021/ol101429z","","","1.54187","CuKα","","0.0569","0.0523","","","0.1324","0.1479","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503120","21.328","0.003","21.328","0.003","29.108","0.006","90","","90","","120","","11467","3","293","2","293","2","","","","","","","synthesis","4","P 31","P 31","144","","Boc-(Leu-Leu-Ac5c[OMe])2-OMe","","- C44 H78 N6 O11 -","- C44 H78 N6 O11 -","- C396 H702 N54 O99 -","9","3","","Nagano, Masanobu; Doi, Mitsunobu; Kurihara, Masaaki; Suemune, Hiroshi; Tanaka, Masakazu","Stabilized alpha-helix-catalyzed enantioselective epoxidation of alpha,beta-unsaturated ketones.","Organic letters","2010","12","15","3564","3566","10.1021/ol101435w","","","0.71073","MoKα","","0.1047","0.0951","","","0.2649","0.2788","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503121","12.247","0.002","15.641","0.003","77.051","0.015","90","","90","","90","","14760","5","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-{L-Leu-L-Leu-[(1S,3S)-Ac5c(OM)]}3-OMe","","- C63 H115 N9 O17 -","- C63 H115 N9 O17 -","- C504 H920 N72 O136 -","8","2","","Nagano, Masanobu; Doi, Mitsunobu; Kurihara, Masaaki; Suemune, Hiroshi; Tanaka, Masakazu","Stabilized alpha-helix-catalyzed enantioselective epoxidation of alpha,beta-unsaturated ketones.","Organic letters","2010","12","15","3564","3566","10.1021/ol101435w","","","0.71073","MoKα","","0.0948","0.083","","","0.219","0.2274","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503122","11.2535","0.0009","11.6895","0.0009","19.1693","0.0015","86.46","0.001","80.779","0.001","87.428","0.001","2482.8","0.3","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","H2N-{L-Leu-L-Leu-[(S,S)-Ac5c(dOM)]}4-OMe","","- C84 H151 N13 O22 -","- C84 H151 N13 O22 -","- C84 H151 N13 O22 -","1","1","","Nagano, Masanobu; Doi, Mitsunobu; Kurihara, Masaaki; Suemune, Hiroshi; Tanaka, Masakazu","Stabilized alpha-helix-catalyzed enantioselective epoxidation of alpha,beta-unsaturated ketones.","Organic letters","2010","12","15","3564","3566","10.1021/ol101435w","","","0.71073","MoKα","","0.0885","0.0793","","","0.2193","0.2311","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503123","13.5739","0.0016","15.7377","0.0017","11.1867","0.0013","90","","101.209","0.002","90","","2344.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O6 S -","- C24 H24 N2 O6 S -","- C96 H96 N8 O24 S4 -","4","1","","Zhu, Zhi-Bin; Shi, Min","Ruthenium-catalyzed tandem ring-opening/ring-closing/cross-metathesis of 1,6-cyclopropene-ynes and olefins for the construction of the 3-pyrroline skeleton.","Organic letters","2010","12","20","4462","4465","10.1021/ol101455c","","","0.71073","MoKα","","0.0889","0.064","","","0.1604","0.1749","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503124","8.925","0.005","13.408","0.007","17.122","0.009","90","","91.162","0.007","90","","2048.5","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C88 H112 N16 O8 -","8","2","","Wei, Ying; Liu, Jing; Lin, Shaoxia; Ding, Hongqian; Liang, Fushun; Zhao, Baozhong","Acetoacetanilides as masked isocyanates: facile and efficient synthesis of unsymmetrically substituted ureas","Organic Letters","2010","12","19","4220","4223","10.1021/ol101474f","","","0.71069","MoKα","","0.274","0.079","","","0.1798","0.2817","","","","","","0.922","","","","has coordinates","218614","2020-10-21","18:00:00",""
"1503125","11.309","0.002","11.587","0.002","16.784","0.004","87.93","0.003","80.536","0.003","86.22","0.003","2164","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Br N3 O4 -","- C23 H20 Br N3 O4 -","- C92 H80 Br4 N12 O16 -","4","2","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.0843","0.0656","","","0.2006","0.2093","","","","","","1.117","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503126","14.308","0.002","14.59","0.002","19.733","0.003","101.072","0.002","100.8","0.002","110.784","0.002","3630.1","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22.66667 H19.66667 Cl2 N3 O4.66667 -","- C22 H17 Cl2 N3 O4 -","- C132 H102 Cl12 N18 O24 -","6","3","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.103","0.0547","","","0.1494","0.1669","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503127","11.9281","0.0015","10.2727","0.0013","22.909","0.003","90","","109.026","0.005","90","","2653.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl N3 O4 -","- C26 H20 Cl N3 O4 -","- C104 H80 Cl4 N12 O16 -","4","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.0708","0.0487","","","0.1434","0.1568","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503128","10.6943","0.0013","25.494","0.003","8.9322","0.0011","90","","103.349","0.002","90","","2369.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cl N2 O6 -","- C25 H25 Cl N2 O6 -","- C100 H100 Cl4 N8 O24 -","4","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.0848","0.0531","","","0.1172","0.1364","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503129","10.8467","0.0019","16.631","0.003","17.796","0.003","112.348","0.002","97.654","0.002","105.826","0.002","2753.5","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 Br N2 O7 -","- C27 H29 Br N2 O7 -","- C108 H116 Br4 N8 O28 -","4","2","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.1505","0.0676","","","0.168","0.2107","","","","","","1.008","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503130","10.3872","0.0014","11.3862","0.0015","11.9876","0.0016","69.288","0.001","72.049","0.001","85.319","0.002","1261","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cl N2 O6 -","- C28 H25 Cl N2 O6 -","- C56 H50 Cl2 N4 O12 -","2","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.0436","0.0389","","","0.1132","0.1181","","","","","","1.075","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503131","7.9609","0.0011","11.5503","0.0016","15.081","0.002","78.065","0.002","83.794","0.002","89.496","0.002","1348.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 Cl N2 O5 -","- C29 H33 Cl N2 O5 -","- C58 H66 Cl2 N4 O10 -","2","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.058","0.0434","","","0.1268","0.147","","","","","","1.051","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503132","10.8157","0.0015","12.2522","0.0017","12.6256","0.0017","101.082","0.002","110.327","0.002","109.908","0.002","1380.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 Cl2 N2 O5 -","- C28 H30 Cl2 N2 O5 -","- C56 H60 Cl4 N4 O10 -","2","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.0513","0.0443","","","0.1159","0.1217","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503133","11.156","0.008","26.984","0.018","11.394","0.008","90","","110.121","0.009","90","","3221","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N3 O5 -","- C23 H22 Cl N3 O5 -","- C92 H88 Cl4 N12 O20 -","4","1","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.1372","0.0763","","","0.154","0.1656","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503134","6.207","0.004","11.28","0.01","19.29","0.01","90.298","0.008","95.025","0.008","99.589","0.008","1326.3","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Cl2 N6 O14 -","- C54 H58 Cl2 N6 O14 -","- C54 H58 Cl2 N6 O14 -","1","0.5","","Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo","Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate.","Organic letters","2010","12","16","3678","3681","10.1021/ol101475b","","","0.71073","MoKα","","0.1513","0.0976","","","0.2522","0.2804","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503135","9.799","0.002","11.072","0.002","13.689","0.003","70.157","0.004","78.535","0.004","70.146","0.004","1308.1","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H22 O4 -","- C36 H22 O4 -","- C72 H44 O8 -","2","1","","Gong, Jian; Xie, Fuchun; Chen, Hong; Hu, Youhong","An efficient approach to functionalized benzo[a]xanthones through reactions of 2-methyl-3-(1-alkynyl)chromones with electron-deficient chromone-fused dienes.","Organic letters","2010","12","17","3848","3851","10.1021/ol101496w","","","0.71073","MoKα","","0.074","0.0568","","","0.1458","0.1571","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503136","7.0113","0.0015","11.773","0.003","17.526","0.004","88.586","0.004","84.72","0.004","81.072","0.004","1423","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H28 O7 -","- C35 H20 O7 -","- C70 H40 O14 -","2","1","","Gong, Jian; Xie, Fuchun; Chen, Hong; Hu, Youhong","An efficient approach to functionalized benzo[a]xanthones through reactions of 2-methyl-3-(1-alkynyl)chromones with electron-deficient chromone-fused dienes.","Organic letters","2010","12","17","3848","3851","10.1021/ol101496w","","","0.71073","MoKα","","0.159","0.0816","","","0.2065","0.2377","","","","","","0.875","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503137","11.0204","0.0005","8.2388","0.0005","12.1197","0.0006","90","","90","","90","","1100.41","0.1","100","2","100","2","","","","","","","synthesis as described","3","P c a 21","P 2c -2ac","29","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","","Cordes, Jens; Harms, Klaus; Koert, Ulrich","Synthesis of the isoquinocycline-pyrrolopyrrole substructure.","Organic letters","2010","12","17","3808","3811","10.1021/ol101500k","","x-ray","0.71073","MoKα","","0.0247","0.0235","","","0.0587","0.0591","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503138","16.3448","0.001","7.0192","0.0003","23.9179","0.0015","90","","98.978","0.005","90","","2710.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H35 N O5.5 Si -","- C21 H29 N O5 Si -","- C84 H116 N4 O20 Si4 -","4","1","","Cordes, Jens; Harms, Klaus; Koert, Ulrich","Synthesis of the isoquinocycline-pyrrolopyrrole substructure.","Organic letters","2010","12","17","3808","3811","10.1021/ol101500k","","x-ray","0.71073","MoKα","","0.1153","0.0665","","","0.1436","0.1585","","","","","","0.913","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503139","35.8162","0.0015","35.8162","0.0015","12.6101","0.0005","90","","90","","120","","14009","1","100","2","100","2","","","","","","","synthesis as described","6","R -3 :H","-R 3","148","","","","- C31 H40 N2 O5 S Si -","- C31 H40 N2 O5 S Si -","- C558 H720 N36 O90 S18 Si18 -","18","1","","Cordes, Jens; Harms, Klaus; Koert, Ulrich","Synthesis of the isoquinocycline-pyrrolopyrrole substructure.","Organic letters","2010","12","17","3808","3811","10.1021/ol101500k","","x-ray","0.71073","MoKα","","0.07","0.033","","","0.0601","0.0644","","","","","","0.742","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503140","19.0772","0.0007","6.9067","0.0003","9.685","0.0003","90","","90","","90","","1276.1","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","dimethylphenyl squaramide","3-(4-(N,N-dimethylamino)phenylamino)-4-hydroxycyclobut-3-ene-1,2-dione","","- C12 H16.72 N2 O5.36 -","- C12 H12 N2 O5.362 -","- C48 H48 N8 O21.448 -","4","0.5","","Sanna, Elena; Martínez, Luis; Rotger, Carmen; Blasco, Salvador; González, Jorge; García-España, Enrique; Costa, Antoni","Squaramide-based reagent for selective chromogenic sensing of Cu(II) through a zwitterion radical.","Organic letters","2010","12","17","3840","3843","10.1021/ol101514y","","","0.71073","MoKα","","0.1343","0.0622","","","0.1699","0.2044","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503141","10.1519","0.0005","10.3366","0.0006","18.7036","0.0009","90","","99.174","0.003","90","","1937.58","0.18","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cl3 N O6 S -","- C14 H18 Cl3 N O6 S -","- C56 H72 Cl12 N4 O24 S4 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","0.71073","MoKα","","0.0498","0.0461","","","0.1122","0.1164","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503142","11.4476","0.0005","17.433","0.0007","12.0145","0.0005","90","","104.311","0.002","90","","2323.28","0.17","173","1","173","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Cl3 N O7 P S -","- C16 H25 Cl3 N O7 P S -","- C64 H100 Cl12 N4 O28 P4 S4 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","0.71073","MoKα","","0.0353","0.0328","","","0.088","0.09","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503143","11.6761","0.0004","20.3879","0.0007","9.3747","0.0003","90","","90","","90","","2231.66","0.13","293","1","293","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H20 Cl3 N O6 S2 -","- C18 H20 Cl3 N O6 S2 -","- C72 H80 Cl12 N4 O24 S8 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","1.5418","CuKα","","0.0513","0.0482","","","0.1238","0.127","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503144","9.1997","0.0004","19.5983","0.0008","9.8197","0.0004","90","","95.769","0.002","90","","1761.51","0.13","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cl3 N2 O6 S -","- C12 H15 Cl3 N2 O6 S -","- C48 H60 Cl12 N8 O24 S4 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","0.71073","MoKα","","0.0601","0.0434","","","0.0949","0.1032","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503145","22.6616","0.0014","6.417","0.0003","13.3006","0.0008","90","","90","","90","","1934.17","0.19","173","1","173","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H18 Cl3 N O6 S -","- C14 H18 Cl3 N O6 S -","- C56 H72 Cl12 N4 O24 S4 -","4","1","","Nörder, Anike; Herrmann, Pavel; Herdtweck, Eberhard; Bach, Thorsten","Acyclic stereocontrol in the catalytic C-H amination of benzylic methylene groups.","Organic letters","2010","12","16","3690","3692","10.1021/ol101517v","","","0.71073","MoKα","","0.0188","0.0186","","","0.0512","0.0515","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503146","11.595","0.0019","12.1153","0.0019","13.243","0.002","73.015","0.002","77.927","0.002","74.042","0.002","1693.8","0.5","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H51 F2 N4 O6 -","- C34 H51 F2 N4 O6 -","- C68 H102 F4 N8 O12 -","2","1","","Zeika, Olaf; Li, Yongjun; Jockusch, Steffen; Parkin, Gerard; Sattler, Aaron; Sattler, Wesley; Turro, Nicholas J.","Synthesis of polynitroxides based on nucleophilic aromatic substitution.","Organic letters","2010","12","16","3696","3699","10.1021/ol101529u","","","0.71073","MoKα","","0.0715","0.0447","","","0.1044","0.1174","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503147","10.7868","0.0007","11.377","0.0007","12.9981","0.0008","90","","90","","90","","1595.15","0.17","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F4 N2 O2 -","- C16 H17 F4 N2 O2 -","- C64 H68 F16 N8 O8 -","4","1","","Zeika, Olaf; Li, Yongjun; Jockusch, Steffen; Parkin, Gerard; Sattler, Aaron; Sattler, Wesley; Turro, Nicholas J.","Synthesis of polynitroxides based on nucleophilic aromatic substitution.","Organic letters","2010","12","16","3696","3699","10.1021/ol101529u","","","0.71073","MoKα","","0.0419","0.0337","","","0.0871","0.0923","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503148","16.1428","0.001","7.6731","0.0005","20.8194","0.0013","90","","98.721","0.001","90","","2549","0.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 F3 N3 O4 -","- C25 H34 F3 N3 O4 -","- C100 H136 F12 N12 O16 -","4","1","","Zeika, Olaf; Li, Yongjun; Jockusch, Steffen; Parkin, Gerard; Sattler, Aaron; Sattler, Wesley; Turro, Nicholas J.","Synthesis of polynitroxides based on nucleophilic aromatic substitution.","Organic letters","2010","12","16","3696","3699","10.1021/ol101529u","","","0.71073","MoKα","","0.0484","0.0401","","","0.1108","0.1184","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503149","28.068","0.002","11.6716","0.001","16.1222","0.0014","90","","124.007","0.001","90","","4378.3","0.6","125","2","125","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H68 N6 O8 -","- C42 H68 N6 O8 -","- C168 H272 N24 O32 -","4","0.5","","Zeika, Olaf; Li, Yongjun; Jockusch, Steffen; Parkin, Gerard; Sattler, Aaron; Sattler, Wesley; Turro, Nicholas J.","Synthesis of polynitroxides based on nucleophilic aromatic substitution.","Organic letters","2010","12","16","3696","3699","10.1021/ol101529u","","","0.71073","MoKα","","0.0558","0.0412","","","0.1046","0.1145","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503150","6.8149","0.001","14.637","0.002","14.679","0.002","90","","90","","90","","1464.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C68 H60 Br4 O8 -","4","1","","Shao, Cheng; Yu, Hong-Jie; Wu, Nuo-Yi; Feng, Chen-Guo; Lin, Guo-Qiang","C1-symmetric dicyclopentadienes as new chiral diene ligands for asymmetric rhodium-catalyzed arylation of N-tosylarylimines.","Organic letters","2010","12","17","3820","3823","10.1021/ol101531r","","","0.71073","MoKα","","0.0725","0.037","","","0.0739","0.0812","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503151","13.5681","0.0003","8.1292","0.0001","15.1521","0.0003","90","","107.156","0.002","90","","1596.88","0.05","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","2","","Yu, Jie; Chen, Wei-Jie; Gong, Liu-Zhu","Kinetic resolution of racemic 2,3-allenoates by organocatalytic asymmetric 1,3-dipolar cycloaddition.","Organic letters","2010","12","18","4050","4053","10.1021/ol101544c","","","1.54184","CuKα","","0.0699","0.0639","","","0.17","0.1756","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503152","19.0234","0.001","10.3429","0.0004","14.4289","0.0008","90","","112.754","0.006","90","","2618","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O0 S -","- C16 H12 N2 S -","- C128 H96 N16 S8 -","8","1","","Xu, Hui; Zhang, Yin; Huang, Jianqiang; Chen, Wanzhi","Copper-catalyzed synthesis of N-fused heterocycles through regioselective 1,2-aminothiolation of 1,1-dibromoalkenes.","Organic letters","2010","12","16","3704","3707","10.1021/ol101563f","","","0.71073","MoKα","","0.069","0.0368","","","0.0765","0.0824","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503153","8.7689","0.0003","24.7018","0.0006","9.0693","0.0004","90","","112.788","0.005","90","","1811.14","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Br N2 O0 S -","- C17 H23 Br N2 S -","- C68 H92 Br4 N8 S4 -","4","1","","Xu, Hui; Zhang, Yin; Huang, Jianqiang; Chen, Wanzhi","Copper-catalyzed synthesis of N-fused heterocycles through regioselective 1,2-aminothiolation of 1,1-dibromoalkenes.","Organic letters","2010","12","16","3704","3707","10.1021/ol101563f","","","1.54184","CuKα","","0.0561","0.0418","","","0.1122","0.1219","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503154","5.7679","0.0007","8.2804","0.001","12.9064","0.0016","74.09","0.002","88.512","0.002","85.529","0.002","590.99","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl N2 O -","- C14 H11 Cl N2 O -","- C28 H22 Cl2 N4 O2 -","2","1","","Urgaonkar, Sameer; Cortese, Joseph F.; Barker, Robert H.; Cromwell, Mandy; Serrano, Adelfa E.; Wirth, Dyann F.; Clardy, Jon; Mazitschek, Ralph","A concise silylamine approach to 2-amino-3-hydroxy-indoles with potent in vivo antimalaria activity.","Organic letters","2010","12","18","3998","4001","10.1021/ol101566h","","","0.71073","MoKα","","0.0358","0.0333","","","0.0893","0.0914","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503155","11.937","0.004","14.935","0.004","19.399","0.007","90","","90","","90","","3458.4","1.9","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H37 N4 Ni O4 -","- C42 H37 N4 Ni O4 -","- C168 H148 N16 Ni4 O16 -","4","1","","Dong, Zhenzhen; Plampin, 3rd, James N; Yap, Glenn P. A.; Fox, Joseph M.","Minimalist end groups for control of absolute helicity in salen- and salophen-based metallofoldamers.","Organic letters","2010","12","18","4002","4005","10.1021/ol101583v","","","0.71073","MoKα","","0.0458","0.0403","","","0.0985","0.1032","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503156","12.3092","0.0019","12.3128","0.0019","12.973","0.002","90.061","0.002","102.664","0.002","98.557","0.002","1895.9","0.5","120","2","120","2","","","","","","","","6","P 1","P 1","1","","","","- C43 H44 Cl2 N4 Ni O4 -","- C43 H44 Cl2 N4 Ni O4 -","- C86 H88 Cl4 N8 Ni2 O8 -","2","2","","Dong, Zhenzhen; Plampin, 3rd, James N; Yap, Glenn P. A.; Fox, Joseph M.","Minimalist end groups for control of absolute helicity in salen- and salophen-based metallofoldamers.","Organic letters","2010","12","18","4002","4005","10.1021/ol101583v","","","0.71073","MoKα","","0.0465","0.0441","","","0.1056","0.1088","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503157","7.6795","0.0002","8.1287","0.0002","21.2564","0.0005","90","","99.965","0.001","90","","1306.9","0.06","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H33 N3 O5 S Si -","- C21 H33 N3 O5 S Si -","- C42 H66 N6 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Joullié, Madeleine M","Ring opening of a trisubstituted aziridine with amines: regio- and stereoselective formation of substituted 1,2-diamines.","Organic letters","2010","12","19","4244","4247","10.1021/ol101584z","","","0.71073","MoKα","","0.0299","0.0288","","","0.0776","0.0784","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503158","31.131","0.003","7.805","0.0007","22.844","0.002","90","","110.163","0.004","90","","5210.4","0.8","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H35 N3 O6 S Si -","- C22 H35 N3 O6 S Si -","- C176 H280 N24 O48 S8 Si8 -","8","2","","Kelley, Brandon T.; Joullié, Madeleine M","Ring opening of a trisubstituted aziridine with amines: regio- and stereoselective formation of substituted 1,2-diamines.","Organic letters","2010","12","19","4244","4247","10.1021/ol101584z","","","0.71073","MoKα","","0.0288","0.0249","","","0.0677","0.076","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503159","7.2155","0.0004","7.3686","0.0004","21.8244","0.0011","90","","91.207","0.003","90","","1160.11","0.11","158","1","158","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 N2 O5 S Si -","- C19 H28 N2 O5 S Si -","- C38 H56 N4 O10 S2 Si2 -","2","1","","Kelley, Brandon T.; Joullié, Madeleine M","Ring opening of a trisubstituted aziridine with amines: regio- and stereoselective formation of substituted 1,2-diamines.","Organic letters","2010","12","19","4244","4247","10.1021/ol101584z","","","0.71073","MoKα","","0.058","0.0432","","","0.1026","0.1108","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503160","10.513","0.001","21.209","0.002","19.5593","0.0019","90","","90.309","0.002","90","","4361.1","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C208 H176 N16 O32 -","8","2","","Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Shu, Wen-Ming; Zhang, Dong-Xue; Cao, Li-Ping; She, Neng-Fang; Wu, An-Xin","An efficient synthesis of hydantoins via sustainable integration of coupled domino processes.","Organic letters","2010","12","18","4026","4029","10.1021/ol1015948","","","0.71073","MoKα","","0.0885","0.0727","","","0.1637","0.1724","","","","","","1.148","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503161","11.301","0.0018","17.774","0.003","22.517","0.004","90","","90","","90","","4522.9","1.3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H23 N2 O4.5 -","- C27 H23 N2 O4.5 -","- C216 H184 N16 O36 -","8","1","","Gao, Meng; Yang, Yan; Wu, Yan-Dong; Deng, Cong; Shu, Wen-Ming; Zhang, Dong-Xue; Cao, Li-Ping; She, Neng-Fang; Wu, An-Xin","An efficient synthesis of hydantoins via sustainable integration of coupled domino processes.","Organic letters","2010","12","18","4026","4029","10.1021/ol1015948","","","0.71073","MoKα","","0.1653","0.0659","","","0.1253","0.1499","","","","","","0.947","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503162","20.312","0.0009","9.5308","0.0004","26.2849","0.0012","90","","107.355","0.001","90","","4856.8","0.4","85","2","85","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C124 H106 N8 O9 -","- C124 H106 N8 O9 -","- C248 H212 N16 O18 -","2","1","","Wiedner, Susan D.; Vedejs, Edwin","Aziridinomitosanes via lactam cyclization.","Organic letters","2010","12","18","4030","4033","10.1021/ol101595u","","","0.71073","MoKα","","0.041","0.0368","","","0.0913","0.0943","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503163","12.8063","0.0005","13.3599","0.0005","48.7876","0.0019","90","","90","","90","","8347.1","0.6","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N2 O7.5 -","- C46 H45 N2 O7.5 -","- C368 H360 N16 O60 -","8","2","","Wiedner, Susan D.; Vedejs, Edwin","Aziridinomitosanes via lactam cyclization.","Organic letters","2010","12","18","4030","4033","10.1021/ol101595u","","","0.71073","MoKα","","0.0667","0.062","","","0.1791","0.1833","","","","","","1.146","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503164","6.897","0.005","11.772","0.008","20.837","0.014","78.683","0.013","88.669","0.013","73.136","0.013","1586.5","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","diazacalix[2]diethyldipyrrolylmethane","","","- C32 H50 N6 O2 -","- C32 H50 N6 O2 -","- C64 H100 N12 O4 -","2","1","","Mani, Ganesan; Guchhait, Tapas; Kumar, Rajnish; Kumar, Shanish","Macrocyclic and acyclic molecules synthesized from dipyrrolylmethanes: receptors for anions.","Organic letters","2010","12","17","3910","3913","10.1021/ol101598e","","","0.71073","MoKα","","0.1402","0.0693","","","0.1396","0.169","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503165","17.106","0.004","16.317","0.004","11.461","0.004","90","","90","","90","","3199","1.6","200","2","200","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C32 H48 N6 O4 S -","- C32 H48 N6 O4 S -","- C128 H192 N24 O16 S4 -","4","0.5","","Mani, Ganesan; Guchhait, Tapas; Kumar, Rajnish; Kumar, Shanish","Macrocyclic and acyclic molecules synthesized from dipyrrolylmethanes: receptors for anions.","Organic letters","2010","12","17","3910","3913","10.1021/ol101598e","","","0.71073","MoKα","","0.1874","0.0724","","","0.1006","0.1287","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503166","19.123","0.004","13.758","0.003","11.749","0.002","90","","106.098","0.005","90","","2969.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N4 O7 S -","- C28 H42 N4 O7 S -","- C112 H168 N16 O28 S4 -","4","1","","Mani, Ganesan; Guchhait, Tapas; Kumar, Rajnish; Kumar, Shanish","Macrocyclic and acyclic molecules synthesized from dipyrrolylmethanes: receptors for anions.","Organic letters","2010","12","17","3910","3913","10.1021/ol101598e","","","0.71073","MoKα","","0.1455","0.0598","","","0.1418","0.1779","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503167","9.1204","0.0004","11.6853","0.0004","14.1079","0.0006","90","","90","","90","","1503.54","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","","Zhao, Fu-Wei; Sun, Qian-Yun; Yang, Fu-Mei; Hu, Guang-Wan; Luo, Ji-Feng; Tang, Gui-Hua; Wang, Yue-Hu; Long, Chun-Lin","Palhinine A, a novel alkaloid from Palhinhaea cernua.","Organic letters","2010","12","17","3922","3925","10.1021/ol101602n","","","1.54178","CuKα","","0.0327","0.0318","","","0.0906","0.0918","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503168","9.941","0.003","10.774","0.003","11.867","0.003","77.103","0.003","66.061","0.003","65.409","0.003","1054","0.5","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","","McCormack, Michael P.; Shalumova, Tamila; Tanski, Joseph M.; Waters, Stephen P.","Development of a 2-aza-Cope-[3 + 2] dipolar cycloaddition strategy for the synthesis of quaternary proline scaffolds.","Organic letters","2010","12","17","3906","3909","10.1021/ol101606v","","","0.71073","MoKα","","0.0405","0.0343","","","0.0829","0.0869","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503169","8.0436","0.0016","10.604","0.002","11.289","0.002","110.89","0.03","95.92","0.03","99.62","0.03","873","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C46 H38 N2 O4 -","2","1","","Yang, Luo; Lei, Chuan-Hu; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Highly efficient and expedient synthesis of 5-hydroxy-1H-pyrrol-2-(5H)-ones from FeCl3-catalyzed tandem intramolecular enaminic addition of tertiary enamides to ketones and 1,3-hydroxy rearrangement.","Organic letters","2010","12","17","3918","3921","10.1021/ol101607z","","","0.71073","MoKα","","0.072","0.056","","","0.1337","0.1451","","","","","","1.359","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503170","8.5467","0.0017","10.49","0.002","21.228","0.004","90","","101.57","0.03","90","","1864.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Yang, Luo; Lei, Chuan-Hu; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Highly efficient and expedient synthesis of 5-hydroxy-1H-pyrrol-2-(5H)-ones from FeCl3-catalyzed tandem intramolecular enaminic addition of tertiary enamides to ketones and 1,3-hydroxy rearrangement.","Organic letters","2010","12","17","3918","3921","10.1021/ol101607z","","","0.71073","MoKα","","0.0781","0.0535","","","0.1277","0.1373","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503171","9.276","0.001","22.735","0.003","11.894","0.0015","90","","110.871","0.005","90","","2343.7","0.5","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br N O3 P S -","- C25 H23 Br N O3 P S -","- C100 H92 Br4 N4 O12 P4 S4 -","4","1","","Xie, Peizhong; Huang, You; Chen, Ruyu","Phosphine-catalyzed domino reaction: highly stereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allylic carbonates.","Organic letters","2010","12","17","3768","3771","10.1021/ol101611v","","","0.71075","MoKα","","0.0375","0.0296","","","0.0695","0.0724","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503172","10.26","0.001","8.486","0.001","30.754","0.003","90","","90","","90","","2677.6","0.5","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N O3 P S -","- C31 H27 Br N O3 P S -","- C124 H108 Br4 N4 O12 P4 S4 -","4","1","","Xie, Peizhong; Huang, You; Chen, Ruyu","Phosphine-catalyzed domino reaction: highly stereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allylic carbonates.","Organic letters","2010","12","17","3768","3771","10.1021/ol101611v","","","0.71075","MoKα","","0.0637","0.0538","","","0.094","0.101","","","","","","0.842","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503173","8.39","0.004","28.706","0.012","20.46","0.009","90","","93.631","0.006","90","","4918","4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyridoCF3BF2","trifluoromethylpyridomethene","","- C13 H7 B F5 N3 -","- C13 H7 B F5 N3 -","- C208 H112 B16 F80 N48 -","16","4","","Kubota, Yasuhiro; Tsuzuki, Toshihiro; Funabiki, Kazumasa; Ebihara, Masahiro; Matsui, Masaki","Synthesis and fluorescence properties of a pyridomethene-BF2 complex.","Organic letters","2010","12","18","4010","4013","10.1021/ol101612z","","","0.7107","MoKα","","0.2027","0.099","","","0.1525","0.1805","","","","","","1.195","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503174","6.855","0.002","18.051","0.004","17.675","0.003","90","","100.818","0.01","90","","2148.2","0.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pyridomethene BF2 complex","","","- C12 H8 B F2 N3 -","- C12 H8 B F2 N3 -","- C96 H64 B8 F16 N24 -","8","2","","Kubota, Yasuhiro; Tsuzuki, Toshihiro; Funabiki, Kazumasa; Ebihara, Masahiro; Matsui, Masaki","Synthesis and fluorescence properties of a pyridomethene-BF2 complex.","Organic letters","2010","12","18","4010","4013","10.1021/ol101612z","","","0.7107","MoKα","","0.1696","0.1661","","","0.3985","0.4001","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503175","8.07","0.003","10.917","0.005","17.772","0.008","90","","90.891","0.008","90","","1565.5","1.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Octanoyldithieno[3,2-b:2',3'-d]pyrrole","N-Octanoyldithieno[3,2-b:2',3'-d]pyrrole","","- C16 H19 N O S2 -","- C16 H19 N O S2 -","- C64 H76 N4 O4 S8 -","4","1","","Evenson, Sean J.; Rasmussen, Seth C.","N-acyldithieno[3,2-b:2',3'-d]pyrroles: second generation dithieno[3,2-b:2',3'-d]pyrrole building blocks with stabilized energy levels.","Organic letters","2010","12","18","4054","4057","10.1021/ol101647f","","","0.71073","MoKα","","0.0733","0.043","","","0.1134","0.1325","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503176","11.802","0.003","11.154","0.003","10.384","0.003","90","","109.858","0.006","90","","1285.7","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Benzoyldithieno[3,2-b:2',3'-d]pyrrole","N-Benzoyldithieno[3,2-b:2',3'-d]pyrrole","","- C15 H9 N O S2 -","- C15 H9 N O S2 -","- C60 H36 N4 O4 S8 -","4","1","","Evenson, Sean J.; Rasmussen, Seth C.","N-acyldithieno[3,2-b:2',3'-d]pyrroles: second generation dithieno[3,2-b:2',3'-d]pyrrole building blocks with stabilized energy levels.","Organic letters","2010","12","18","4054","4057","10.1021/ol101647f","","","0.71073","MoKα","","0.0588","0.0422","","","0.1151","0.1293","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503177","8.321","0.003","8.994","0.003","9.073","0.003","95.102","0.005","93.093","0.005","92.926","0.005","674.3","0.4","273","2","293","2","","","","","","","","5","P -1","-P 1","2","N-Cyclohexanoyldithieno[3,2-b:2',3'-d]pyrrole","N-Cyclohexanoyldithieno[3,2-b:2',3'-d]pyrrole","","- C15 H15 N O S2 -","- C15 H15 N O S2 -","- C30 H30 N2 O2 S4 -","2","1","","Evenson, Sean J.; Rasmussen, Seth C.","N-acyldithieno[3,2-b:2',3'-d]pyrroles: second generation dithieno[3,2-b:2',3'-d]pyrrole building blocks with stabilized energy levels.","Organic letters","2010","12","18","4054","4057","10.1021/ol101647f","","","0.71073","MoKα","","0.0491","0.0451","","","0.134","0.1392","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503178","18.7232","0.0004","6.9539","0.0002","14.145","0.0004","90","","120.22","0.0013","90","","1591.39","0.08","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H19 Br N2 O -","- C18 H19 Br N2 O -","- C72 H76 Br4 N8 O4 -","4","1","","Holloway, Chloe A.; Muratore, Michael E.; Storer, R. Lan; Dixon, Darren J.","Direct enantioselective Brønsted acid catalyzed N-acyliminium cyclization cascades of tryptamines and ketoacids.","Organic letters","2010","12","21","4720","4723","10.1021/ol101651t","","","0.71073","MoKα","","0.0546","0.0386","","0.0812","0.073","0.0812","","","","","","0.9334","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503179","5.7927","0.0001","12.1783","0.0002","20.5935","0.0005","90","","94.4916","0.0008","90","","1448.31","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","","Holloway, Chloe A.; Muratore, Michael E.; Storer, R. Lan; Dixon, Darren J.","Direct enantioselective Brønsted acid catalyzed N-acyliminium cyclization cascades of tryptamines and ketoacids.","Organic letters","2010","12","21","4720","4723","10.1021/ol101651t","","","0.71073","MoKα","","0.0964","0.0553","","0.1894","0.1287","0.1894","","","","","","0.9899","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503180","9.956","0.006","20.04","0.01","11.392","0.007","90","","109.09","0.02","90","","2148","2","123.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C20 H35 Cl O2 Si -","- C20 H35 Cl O2 Si -","- C80 H140 Cl4 O8 Si4 -","4","1","","Matsuo, Jun-ichi; Kawano, Mizuki; Okuno, Ryosuke; Ishibashi, Hiroyuki","Titanium(IV) chloride-mediated carbon-carbon bond-forming reaction between 3,3-dialkylcyclobutanones and aldehydes.","Organic letters","2010","12","17","3960","3962","10.1021/ol101653b","","","0.7107","MoKα","","","0.0619","","","","0.0753","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503181","11.4665","0.0013","7.9203","0.0009","19.816","0.002","90","","95.306","0.002","90","","1791.9","0.3","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","An, Guanghui; Zhou, Wei; Zhang, Guangqian; Sun, Hao; Han, Jianlin; Pan, Yi","Palladium-catalyzed tandem diperoxidation/C-H activation resulting in diperoxy-oxindole in air.","Organic letters","2010","12","20","4482","4485","10.1021/ol101664y","","","0.71073","MoKα","","0.0843","0.0563","","","0.1074","0.1123","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503182","10.6109","0.0009","11.3274","0.001","22.798","0.002","90","","90","","90","","2740.2","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N3 O5 S -","- C29 H25 N3 O5 S -","- C116 H100 N12 O20 S4 -","4","1","","Peng, Jing; Huang, Xin; Cui, Hai-Lei; Chen, Ying-Chun","Organocatalytic and electrophilic approach to oxindoles with C3-quaternary stereocenters.","Organic letters","2010","12","19","4260","4263","10.1021/ol101668z","","","0.71073","MoKα","","0.0674","0.0415","","","0.0914","0.1021","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503183","12.4284","0.0017","13.7209","0.0019","13.789","0.002","95.204","0.01","108.784","0.012","101.21","0.011","2153.8","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H34 F6 O2 S2 -","- C53 H34 F6 O2 S2 -","- C106 H68 F12 O4 S4 -","2","1","","Delbaere, Stéphanie; Vermeersch, Gaston; Frigoli, Michel; Mehl, Georg H.","Bridging the visible: the modulation of the absorption by more than 450 nm.","Organic letters","2010","12","18","4090","4093","10.1021/ol101672v","","","0.71073","MoKα","","0.0956","0.0536","","","0.1373","0.1501","","","","","","0.878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503184","4.5421","0.0009","10.033","0.002","37.818","0.008","90","","90","","90","","1723.4","0.6","155","2","155","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Sabala, Rocío; Hernández-García, Luis; Ortiz, Aurelio; Romero, Moisés; Olivo, Horacio F.","Diastereoselective conjugate addition of organocuprates to chiral N-enoyl oxazolidinethiones.","Organic letters","2010","12","19","4268","4270","10.1021/ol101687e","","","0.71073","MoKα","","0.1316","0.0568","","","0.0871","0.1083","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503185","5.437","0.002","16.067","0.006","11.335","0.004","90","","96.72","0.03","90","","983.4","0.6","298","1","298","1","101","2","101","2","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C44 H50 N2 O4 S2 -","2","1","","Sabala, Rocío; Hernández-García, Luis; Ortiz, Aurelio; Romero, Moisés; Olivo, Horacio F.","Diastereoselective conjugate addition of organocuprates to chiral N-enoyl oxazolidinethiones.","Organic letters","2010","12","19","4268","4270","10.1021/ol101687e","","x-ray","0.71073","MoKα","","0.0653","0.0566","","","0.1339","0.1379","","","","","","1.57","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503186","15.361","0.003","14.451","0.004","23.729","0.005","90","","90","","90","","5267","2","123","2","123","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H28 B Cl2 F N2 O -","- C30 H28 B Cl2 F N2 O -","- C240 H224 B8 Cl16 F8 N16 O8 -","8","1","","Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of azomethine imines.","Organic letters","2010","12","18","4106","4109","10.1021/ol101700v","","","0.71075","MoKα","","0.1484","0.0991","","","0.2635","0.2982","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503187","9.71","0.003","16.275","0.005","17.801","0.005","90","","92.955","0.01","90","","2809.4","1.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H15 Cl N2 O -","- C16 H15 Cl N2 O -","- C128 H120 Cl8 N16 O8 -","8","4","","Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of azomethine imines.","Organic letters","2010","12","18","4106","4109","10.1021/ol101700v","","","0.71075","MoKα","","0.0954","0.0693","","","0.1729","0.1897","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503188","10.266","0.003","16.834","0.007","11.491","0.006","90","","114.101","0.015","90","","1812.7","1.3","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Shintani, Ryo; Soh, Ying-Teck; Hayashi, Tamio","Rhodium-catalyzed asymmetric arylation of azomethine imines.","Organic letters","2010","12","18","4106","4109","10.1021/ol101700v","","","0.71075","MoKα","","0.0708","0.0534","","","0.1412","0.1528","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503189","10.1003","0.0006","17.6993","0.001","10.2661","0.0006","90","","115.709","0.006","90","","1653.58","0.19","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N O -","- C23 H15 N O -","- C92 H60 N4 O4 -","4","1","","Schönhaber, Jan; Frank, Walter; Müller, Thomas J J","Insertion-coupling-cycloisomerization domino synthesis and cation-induced halochromic fluorescence of 2,4-diarylpyrano[2,3-b]indoles.","Organic letters","2010","12","18","4122","4125","10.1021/ol101709p","","","0.71073","MoKα","","0.0409","0.0297","","","0.0653","0.0664","","","","","","1.249","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503190","10.293","0.002","15.245","0.004","21.665","0.005","87.02","0.006","86.029","0.006","79.479","0.006","3331.7","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H63 Cl9 O2 -","- C75 H63 Cl9 O2 -","- C150 H126 Cl18 O4 -","2","1","","Zhang, Xiaojie; Li, Jinling; Qu, Hemi; Chi, Chunyan; Wu, Jishan","Fused bispentacenequinone and its unexpected Michael addition.","Organic letters","2010","12","17","3946","3949","10.1021/ol101720e","","","0.71073","MoKα","","0.1679","0.0985","","","0.2767","0.3352","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503191","7.112","0.0009","15.443","0.002","8.5355","0.0011","90","","102.864","0.002","90","","913.9","0.2","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0504","0.0383","","","0.1018","0.1106","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503192","4.6951","0.0008","9.7328","0.0016","22.307","0.004","90","","94.848","0.002","90","","1015.7","0.3","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0579","0.0411","","","0.111","0.1215","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503193","8.0748","0.0007","9.2016","0.0008","15.5271","0.0013","90","","100.084","0.001","90","","1135.86","0.17","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0423","0.0353","","","0.093","0.0972","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503194","9.128","0.0011","10.3355","0.0012","10.6415","0.0013","76.61","0.001","68.814","0.001","82.929","0.001","909.78","0.19","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 O8 -","- C22 H16 O8 -","- C44 H32 O16 -","2","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0419","0.037","","","0.0948","0.0987","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503195","11.4827","0.0009","11.0568","0.0009","16.4519","0.0013","90","","106.924","0.001","90","","1998.3","0.3","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 O8 -","- C24 H20 O8 -","- C96 H80 O32 -","4","0.5","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0513","0.0405","","","0.107","0.1136","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503196","6.5748","0.0007","8.8652","0.001","10.7627","0.0012","69.163","0.001","82.406","0.001","82.35","0.001","578.64","0.11","173","","173","","","","","","","","","3","P 1","P 1","1","","","","- C26 H24 O8 -","- C26 H24 O8 -","- C26 H24 O8 -","1","1","","Sakamoto, Masami; Yagishita, Fumitoshi; Kanehiro, Masayuki; Kasashima, Yoshio; Mino, Takashi; Fujita, Tsutomu","Exclusive photodimerization reactions of chromone-2-carboxylic esters depending on reaction media.","Organic letters","2010","12","20","4435","4437","10.1021/ol101734k","","","0.71073","MoKα","","0.0422","0.0355","","","0.0949","0.1","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503197","8.2353","0.0005","13.2297","0.0016","28.508","0.003","90","","90","","90","","3106","0.5","200","2","200","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C136 H152 N8 O40 -","8","1","","Miege, Frédéric; Meyer, Christophe; Cossy, Janine","Synthesis of 3-oxa- and 3-azabicyclo[4.1.0]heptanes by gold-catalyzed cycloisomerization of cyclopropenes.","Organic letters","2010","12","18","4144","4147","10.1021/ol101741f","","","0.71073","MoKα","","0.1494","0.0731","","","0.1882","0.2253","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503198","15.196","0.003","11.833","0.003","16.715","0.004","90","","107.475","0.004","90","","2866.9","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","compound 7a","4,16-dimethoxy-10,12,22,24-tetranitro-2,8,14,20-tetraazacalix[4]arene","","- C29 H26 N8 O11 -","- C29 H26 N8 O11 -","- C116 H104 N32 O44 -","4","1","","Katz, Jeffrey L.; Tschaen, Brittany A.","Synthesis of inherently chiral azacalix[4]arenes and diazadioxacalix[4]arenes.","Organic letters","2010","12","19","4300","4303","10.1021/ol1017454","","","0.71073","MoKα","","0.0668","0.0532","","","0.1491","0.1603","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503199","7.504","0.004","13.407","0.009","13.408","0.008","110.09","0.02","104","0.02","104.77","0.02","1141.5","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 B N3 O S3 -","- C28 H18 B N3 O S3 -","- C56 H36 B2 N6 O2 S6 -","2","1","","Hayashi, Shin-ya; Inokuma, Yasuhide; Osuka, Atsuhiro","meso-Tris(oligo-2,5-thienylene)-substituted subporphyrins.","Organic letters","2010","12","18","4148","4151","10.1021/ol101746d","","","0.71075","MoKα","","0.0548","0.0424","","","0.12","0.1296","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503200","28.04","0.04","7.483","0.012","26.42","0.05","90","","101.36","0.07","90","","5435","16","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H15 B Br3 N3 O S3 -","- C28 H15 B Br3 N3 O S3 -","- C224 H120 B8 Br24 N24 O8 S24 -","8","1","","Hayashi, Shin-ya; Inokuma, Yasuhide; Osuka, Atsuhiro","meso-Tris(oligo-2,5-thienylene)-substituted subporphyrins.","Organic letters","2010","12","18","4148","4151","10.1021/ol101746d","","","0.71075","MoKα","","0.0671","0.0423","","","0.09","0.0998","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503201","14.9","0.004","18.725","0.006","19.242","0.006","113.171","0.009","111.245","0.009","95.232","0.01","4426","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 B N3 O S9 -","- C52 H30 B N3 O S9 -","- C208 H120 B4 N12 O4 S36 -","4","2","","Hayashi, Shin-ya; Inokuma, Yasuhide; Osuka, Atsuhiro","meso-Tris(oligo-2,5-thienylene)-substituted subporphyrins.","Organic letters","2010","12","18","4148","4151","10.1021/ol101746d","","","0.71075","MoKα","","0.1722","0.0941","","","0.2219","0.2731","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503202","9.156","0.002","10.791","0.003","20.165","0.006","86.746","0.01","84.069","0.009","79.233","0.01","1945.4","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Br F3 O3 -","- C21 H18 Br F3 O3 -","- C84 H72 Br4 F12 O12 -","4","2","","Wang, Tong; Ye, Song","Diastereoselective synthesis of 6-trifluoromethyl-5,6-dihydropyrans via phosphine-catalyzed [4 + 2] annulation of α-benzylallenoates with ketones.","Organic letters","2010","12","18","4168","4171","10.1021/ol101762z","","","0.71073","MoKα","","0.0751","0.0627","","","0.1077","0.1138","","","","","","1.17","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503203","15.103","0.003","6.0078","0.0012","21.747","0.004","90","","90","","90","","1973.2","0.7","571","2","571","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Cl O2 -","- C12 H9 Cl O2 -","- C96 H72 Cl8 O16 -","8","1","","Huo, Fang-Jun; Sun, Yuan-Qiang; Su, Jing; Yang, Yu-Tao; Yin, Cai-Xia; Chao, Jian-Bin","Chromene ""lock"", thiol ""key"", and mercury(II) ion ""hand"": a single molecular machine recognition system.","Organic letters","2010","12","21","4756","4759","10.1021/ol101771j","","","0.71073","MoKα","","0.0494","0.0442","","","0.1012","0.1037","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503204","10.676","0.0018","18.951","0.003","19.394","0.003","85.406","0.002","74.527","0.002","74.304","0.002","3640.5","1","97","2","97","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H74.44 Cl2 N8 O0.22 -","- C94.9304 H74 Cl1.8608 N8 O0.221 -","- C189.861 H148 Cl3.7216 N16 O0.442 -","2","1","","Hatano, Sayaka; Sakai, Ken; Abe, Jiro","Unprecedented radical-radical reaction of a [2.2]paracyclophane derivative containing an imidazolyl radical moiety.","Organic letters","2010","12","18","4152","4155","10.1021/ol1017933","","","0.71073","MoKα","","0.0771","0.056","","","0.1314","0.145","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503205","6.6549","0.0005","13.8696","0.0011","21.4953","0.0018","90","","90","","90","","1984","0.3","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Br2 N O4 -","- C20 H25 Br2 N O4 -","- C80 H100 Br8 N4 O16 -","4","1","","Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN","Tetraquinanes via [4 + 4] photocycloaddition/transannular ring closure.","Organic letters","2010","12","20","4510","4512","10.1021/ol101802s","","","0.71069","MoKα","","0.0462","0.0392","","","0.0843","0.0907","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503206","7.4039","0.0005","13.4534","0.001","17.6386","0.0013","90","","90","","90","","1756.9","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN","Tetraquinanes via [4 + 4] photocycloaddition/transannular ring closure.","Organic letters","2010","12","20","4510","4512","10.1021/ol101802s","","","0.71069","MoKα","","0.0401","0.037","","","0.085","0.0886","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503207","8.573","0.0004","9.9838","0.0004","16.5361","0.0007","90","","90","","90","","1415.34","0.11","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br2 Cl3 N O2 -","- C10 H10 Br2 Cl3 N O2 -","- C40 H40 Br8 Cl12 N4 O8 -","4","1","","Bae, Ju-Yeon; Lee, Hyo-Jun; Youn, Seok-Ho; Kwon, Su-Hyun; Cho, Chang-Woo","Organocatalytic asymmetric synthesis of chiral pyrrolizines by cascade conjugate addition-aldol reactions.","Organic letters","2010","12","19","4352","4355","10.1021/ol101811c","","","0.71073","MoKα","","0.0716","0.0384","","","0.0586","0.0857","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503208","9.9559","0.0003","13.4641","0.0003","21.4149","0.0006","90","","90","","90","","2870.61","0.13","150","1","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C144 H160 O16 -","8","1","","Ramadhar, Timothy R.; Kawakami, Jun-ichi; Lough, Alan J.; Batey, Robert A.","Stereocontrolled synthesis of contiguous C(sp3)-C(aryl) bonds by lanthanide(III)-catalyzed domino aryl-Claisen [3,3]-sigmatropic rearrangements.","Organic letters","2010","12","20","4446","4449","10.1021/ol1018147","","","0.71073","MoKα","","0.1078","0.056","","","0.1325","0.1615","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503209","16.3276","0.0009","9.2926","0.0006","11.4092","0.0006","90","","108.846","0.004","90","","1638.27","0.17","150","1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C72 H64 N8 O24 -","4","0.5","","Ramadhar, Timothy R.; Kawakami, Jun-ichi; Lough, Alan J.; Batey, Robert A.","Stereocontrolled synthesis of contiguous C(sp3)-C(aryl) bonds by lanthanide(III)-catalyzed domino aryl-Claisen [3,3]-sigmatropic rearrangements.","Organic letters","2010","12","20","4446","4449","10.1021/ol1018147","","","0.71073","MoKα","","0.091","0.0547","","","0.1347","0.1595","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503210","9.745","0.003","10.404","0.003","11.659","0.004","69.894","0.005","67.4","0.006","87.178","0.005","1020.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 Br O5 -","- C22 H27 Br O5 -","- C44 H54 Br2 O10 -","2","1","","Jones, Brian D.; La Clair, James J.; Moore, Curtis E.; Rheingold, Arnold L.; Burkart, Michael D.","Convergent route to the spirohexenolide macrocycle.","Organic letters","2010","12","20","4516","4519","10.1021/ol1018163","","","0.71073","MoKα","","0.0717","0.0594","","","0.1469","0.1568","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503211","20.834","0.005","12.224","0.003","8.784","0.002","90","","93.811","0.004","90","","2232.1","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C104 H128 O20 -","4","1","","Jones, Brian D.; La Clair, James J.; Moore, Curtis E.; Rheingold, Arnold L.; Burkart, Michael D.","Convergent route to the spirohexenolide macrocycle.","Organic letters","2010","12","20","4516","4519","10.1021/ol1018163","","","0.71073","MoKα","","0.1306","0.058","","","0.1119","0.1378","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503212","3.8045","0.0001","14.624","0.0004","18.5827","0.0005","90","","92.86","0.02","90","","1032.6","0.05","153","2","153","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N2 S -","- C14 H8 N2 S -","- C56 H32 N8 S4 -","4","1","","Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.","Synthesis of π-extended thiadiazole (oxides) and their electronic properties.","Organic letters","2010","12","20","4520","4523","10.1021/ol1018213","","x-ray","1.54178","CuKα","","0.1525","0.0672","","","0.1888","0.2657","","","","","","1.105","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503213","6.9578","0.0004","17.055","0.0008","10.133","0.0008","90","","112.64","0.05","90","","1109.8","0.4","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","phenSO2","","","- C14 H8 N2 O2 S -","- C14 H8 N2 O2 S -","- C56 H32 N8 O8 S4 -","4","1","","Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.","Synthesis of π-extended thiadiazole (oxides) and their electronic properties.","Organic letters","2010","12","20","4520","4523","10.1021/ol1018213","","","0.7107","MoKα","","0.0547","0.0478","","","0.1449","0.1596","","","","","","1.166","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503214","17.1841","0.0009","3.8524","0.0002","34.3919","0.0017","90","","95.801","0.0015","90","","2265.1","0.2","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","pyrS","","","- C16 H8 N2 S -","- C16 H8 N2 S -","- C128 H64 N16 S8 -","8","2","","Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.","Synthesis of π-extended thiadiazole (oxides) and their electronic properties.","Organic letters","2010","12","20","4520","4523","10.1021/ol1018213","","","0.7107","MoKα","","0.1201","0.0986","","","0.2663","0.2817","","","","","","1.224","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503215","14.6637","0.0004","11.904","0.0003","7.2169","0.0002","90","","115.913","0.001","90","","1133.1","0.05","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","EB038","","","- C16 H8 N2 O S -","- C16 H8 N2 O S -","- C64 H32 N8 O4 S4 -","4","0.5","","Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.","Synthesis of π-extended thiadiazole (oxides) and their electronic properties.","Organic letters","2010","12","20","4520","4523","10.1021/ol1018213","","","1.54178","CuKα","","0.0357","0.0334","","","0.0984","0.1004","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503216","11.4588","0.0006","15.8146","0.0006","6.8807","0.0003","90","","102.5","0.003","90","","1217.34","0.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","pyrSO2","","","- C16 H8 N2 O2 S -","- C16 H8 N2 O2 S -","- C64 H32 N8 O8 S4 -","4","1","","Linder, Thomas; Badiola, Eider; Baumgartner, Thomas; Sutherland, Todd C.","Synthesis of π-extended thiadiazole (oxides) and their electronic properties.","Organic letters","2010","12","20","4520","4523","10.1021/ol1018213","","","0.7107","MoKα","","0.1479","0.1121","","","0.3073","0.3323","","","","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503217","7.63","0.002","11.254","0.003","12.992","0.004","104.415","0.005","104.272","0.005","99.48","0.005","1016.3","0.5","108","2","108","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br2 N4 O S -","- C21 H18 Br2 N4 O S -","- C42 H36 Br4 N8 O2 S2 -","2","1","","Feldman, Ken S.; Nuriye, Ahmed Yimam","Extending Pummerer reaction chemistry: application to the assembly of the pentacyclic core of dibromopalau'amine.","Organic letters","2010","12","20","4532","4535","10.1021/ol1018322","","","0.71073","MoKα","","0.0911","0.0707","","","0.1605","0.172","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503218","55.9475","0.0011","44.3294","0.0018","12.4822","0.0002","90","","90","","90","","30957.3","1.5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C78 H110 Cl2 N O10 -","- C78 H110 Cl2 N O10 -","- C1248 H1760 Cl32 N16 O160 -","16","1","","Han, Chengyou; Ma, Fengying; Zhang, Zibin; Xia, Binyuan; Yu, Yihua; Huang, Feihe","DIBPillar[n]arenes (n = 5, 6): syntheses, X-ray crystal structures, and complexation with n-octyltriethyl ammonium hexafluorophosphate.","Organic letters","2010","12","19","4360","4363","10.1021/ol1018344","","","1.54184","CuKα","","0.0977","0.0863","","","0.2438","0.2582","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503219","13.7506","0.0003","18.3037","0.0004","19.5207","0.0004","78.89","0.002","78.46","0.002","78.098","0.002","4651.17","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C189 H264 N4 O24 -","- C188.98 H264 N4 O24 -","- C188.98 H264 N4 O24 -","1","0.5","","Han, Chengyou; Ma, Fengying; Zhang, Zibin; Xia, Binyuan; Yu, Yihua; Huang, Feihe","DIBPillar[n]arenes (n = 5, 6): syntheses, X-ray crystal structures, and complexation with n-octyltriethyl ammonium hexafluorophosphate.","Organic letters","2010","12","19","4360","4363","10.1021/ol1018344","","","0.71073","MoKα","","0.111","0.0999","","","0.288","0.3003","","","","","","1.143","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503220","9.174","0.004","17.881","0.008","10.373","0.004","90","","97.844","0.008","90","","1685.7","1.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Fujiwara, Kyohei; Kurahashi, Takuya; Matsubara, Seijiro","Decarbonylative cycloaddition of phthalimides with 1,3-dienes.","Organic letters","2010","12","20","4548","4551","10.1021/ol101842y","","","0.71073","MoKα","","0.1267","0.0574","","","0.133","0.1659","","","","","","0.913","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503221","9.6129","0.001","15.9","0.0016","12.4424","0.0013","90","","109.191","0.002","90","","1796.1","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C84 H100 N12 O4 -","4","1","","Fujiwara, Kyohei; Kurahashi, Takuya; Matsubara, Seijiro","Decarbonylative cycloaddition of phthalimides with 1,3-dienes.","Organic letters","2010","12","20","4548","4551","10.1021/ol101842y","","","0.71073","MoKα","","0.0611","0.0479","","","0.1304","0.1411","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503222","10.6196","0.0011","11.847","0.0012","13.843","0.0015","91.696","0.002","104.085","0.002","97.966","0.002","1669.3","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N3 O -","- C19 H21 N3 O -","- C76 H84 N12 O4 -","4","2","","Fujiwara, Kyohei; Kurahashi, Takuya; Matsubara, Seijiro","Decarbonylative cycloaddition of phthalimides with 1,3-dienes.","Organic letters","2010","12","20","4548","4551","10.1021/ol101842y","","","0.71073","MoKα","","0.0743","0.052","","","0.1354","0.1502","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503223","7.272","0.003","12.692","0.005","17.264","0.007","97.762","0.011","100.795","0.009","101.825","0.009","1506.9","1.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 O4 -","- C38 H34 O4 -","- C76 H68 O8 -","2","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.2725","0.0765","","","0.1652","0.2645","","","","","","0.849","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503224","22.952","0.003","7.0269","0.0009","23.009","0.003","90","","112.606","0.007","90","","3425.8","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 O4 -","- C42 H42 O4 -","- C168 H168 O16 -","4","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.1169","0.0523","","","0.1116","0.1366","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503225","15.644","0.005","29.507","0.01","9.359","0.003","90","","92.468","0.007","90","","4316","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 O4 -","- C50 H58 O4 -","- C200 H232 O16 -","4","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.1797","0.0662","","","0.1414","0.1894","","","","","","0.941","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503226","9.1618","0.0017","15.607","0.003","17.154","0.004","101.382","0.01","91.325","0.011","92.182","0.01","2401.7","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H66 O4 -","- C54 H66 O4 -","- C108 H132 O8 -","2","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.2117","0.0804","","","0.2001","0.2615","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503227","5.8496","0.0003","14.2422","0.0007","15.3416","0.0008","92.896","0.003","98.283","0.003","98.842","0.003","1246.31","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H37 O2 -","- C29 H37 O2 -","- C58 H74 O4 -","2","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.1543","0.0628","","","0.1274","0.1644","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503228","9.247","0.008","15.35","0.013","19.998","0.018","78.927","0.011","87.884","0.011","86.674","0.011","2780","4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C62 H77 O4 -","- C62 H77 O4 -","- C124 H154 O8 -","2","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.201","0.0878","","","0.2306","0.2956","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503229","12.763","0.005","13.447","0.005","14.34","0.005","65.731","0.007","66.619","0.007","62.46","0.006","1923.2","1.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H50 O4 -","- C46 H50 O4 -","- C92 H100 O8 -","2","1","","An, Peng; Shi, Zi-Fa; Dou, Wei; Cao, Xiao-Ping; Zhang, Hao-Li","Synthesis of 1,4-bis[2,2-bis(4-alkoxyphenyl)vinyl]benzenes and side chain modulation of their solid-state emission.","Organic letters","2010","12","19","4364","4367","10.1021/ol101847w","","","0.71073","MoKα","","0.2525","0.0746","","","0.1133","0.1579","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503230","6.999","0.009","12.277","0.015","17.34","0.02","93.43","0.02","91.45","0.02","106.06","0.02","1428","3","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3,4-dimethyl-1-(4-nitrophenyl)penta-1,3-dien-2-yl acetate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","2","","Seraya, Elaine; Slack, Eric; Ariafard, Alireza; Yates, Brian F.; Hyland, Christopher J. T.","Experimental and theoretical investigation into the gold-catalyzed reactivity of cyclopropenylmethyl acetates.","Organic letters","2010","12","21","4768","4771","10.1021/ol101862u","","","0.71073","MoKα","","0.0844","0.0748","","","0.1997","0.2097","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503231","16.092","","13.971","","12.527","","90","","90","","90","","2816.34","","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H46 N4 O3 -","- C29 H46 N4 O3 -","- C116 H184 N16 O12 -","4","1","","Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W.","Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes.","Organic letters","2010","12","20","4592","4595","10.1021/ol101898y","","","0.71073","MoKα","","0.0542","0.0458","","","0.1132","0.1197","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503232","16.1444","0.0012","14.8471","0.001","12.468","0.0007","90","","90","","90","","2988.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H44 Cl2 N4 O3 -","- C29 H44 Cl2 N4 O3 -","- C116 H176 Cl8 N16 O12 -","4","1","","Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W.","Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes.","Organic letters","2010","12","20","4592","4595","10.1021/ol101898y","","","0.71073","MoKα","","0.0705","0.0504","","","0.1101","0.1198","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503233","15.8418","0.001","14.3022","0.0007","13.0883","0.0006","90","","90","","90","","2965.5","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H45 Br2 N3 O -","- C29 H45 Br2 N3 O -","- C116 H180 Br8 N12 O4 -","4","1","","Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W.","Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes.","Organic letters","2010","12","20","4592","4595","10.1021/ol101898y","","","0.71073","MoKα","","0.1044","0.0604","","","0.1428","0.1621","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503234","9.59","0.0019","16.381","0.003","32.198","0.006","90","","96.45","0.03","90","","5026.1","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C232 H264 N4 O27 P4 -","- C232 H264 N4 O27 P4 -","- C232 H264 N4 O27 P4 -","1","0.5","","Herbert, Simon A.; Arnott, Gareth E.","Synthesis of inherently chiral calix[4]arenes: stereocontrol through ligand choice.","Organic letters","2010","12","20","4600","4603","10.1021/ol101909f","","","0.71073","MoKα","","0.0836","0.0565","","","0.1167","0.1339","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503235","5.616","0.005","11.22","0.003","27.785","0.009","90","","90","","90","","1750.8","1.7","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl N O3 -","- C18 H26 Cl N O3 -","- C72 H104 Cl4 N4 O12 -","4","1","","Thamapipol, Sirinporn; Bernardinelli, Gérald; Besnard, Céline; Kündig, E Peter","Chiral ruthenium Lewis acid catalyzed intramolecular Diels-Alder reactions.","Organic letters","2010","12","24","5604","5607","10.1021/ol1019103","","","0.71073","MoKα","","0.0351","0.0302","","0.0789","0.0768","0.0789","","","","","","0.9952","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503236","8.2656","0.0011","8.4095","0.0011","32.003","0.004","90","","90","","90","","2224.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Br N2 O3 -","- C25 H23 Br N2 O3 -","- C100 H92 Br4 N8 O12 -","4","1","","Fang, Huihui; Wu, Xiaoyu; Nie, Linlin; Dai, Xiaoyang; Chen, Jie; Cao, Weiguo; Zhao, Gang","Diastereoselective syntheses of indoloquinolizidines by a Pictet-Spengler/lactamization cascade.","Organic letters","2010","12","23","5366","5369","10.1021/ol101922h","","","0.71073","MoKα","","0.0721","0.0457","","","0.0954","0.1013","","","","","","0.87","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503237","15.456","0.004","6.4033","0.0015","16.86","0.004","90","","105.23","0.006","90","","1610","0.7","233","2","233","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H42 N4 -","- C44 H42 N4 -","- C88 H84 N8 -","2","0.5","","Roznyatovskiy, Vladimir; Lynch, Vincent; Sessler, Jonathan L.","Dinaphthoporphycenes.","Organic letters","2010","12","19","4424","4427","10.1021/ol101931y","","","0.71069","MoKα","","0.0902","0.0552","","","0.1219","0.1396","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503238","7.881","0.007","9.856","0.009","12.446","0.011","101.219","0.015","90.086","0.014","104.921","0.015","914.9","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C46 H38 N2 O4 -","2","1","","Hong, Deng; Chen, Zhengbo; Lin, Xufeng; Wang, Yanguang","Synthesis of substituted indoles from 2-azidoacrylates and ortho-silyl aryltriflates.","Organic letters","2010","12","20","4608","4611","10.1021/ol101934v","","","0.71073","MoKα","","0.067","0.0542","","","0.1497","0.1583","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503239","15.8403","0.0012","9.3434","0.0007","22.2175","0.0016","90","","99.239","0.002","90","","3245.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C168 H136 N8 O16 -","8","2","","Hong, Deng; Chen, Zhengbo; Lin, Xufeng; Wang, Yanguang","Synthesis of substituted indoles from 2-azidoacrylates and ortho-silyl aryltriflates.","Organic letters","2010","12","20","4608","4611","10.1021/ol101934v","","","0.71073","MoKα","","0.1044","0.0599","","","0.1386","0.1529","","","","","","0.856","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503240","6.7647","0.0003","17.5609","0.0008","13.1322","0.0006","90","","90.811","0.004","90","","1559.87","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Hong, Deng; Chen, Zhengbo; Lin, Xufeng; Wang, Yanguang","Synthesis of substituted indoles from 2-azidoacrylates and ortho-silyl aryltriflates.","Organic letters","2010","12","20","4608","4611","10.1021/ol101934v","","","0.71073","MoKα","","0.0616","0.0354","","","0.0858","0.0913","","","","","","0.903","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503241","9.3013","0.0008","17.9217","0.0015","18.9114","0.0016","90","","101.888","0.001","90","","3084.8","0.5","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","(R,R)-1,2-Bis(tert-butylmethylphosphino)benzene(1,5-cyclooctadiene)rhodium(I) hexafluoroantiomonate","","","- C52 H88 F12 O2 P4 Rh2 Sb2 -","- C52 H88 F12 O2 P4 Rh2 Sb2 -","- C104 H176 F24 O4 P8 Rh4 Sb4 -","2","1","","Tamura, Ken; Sugiya, Masashi; Yoshida, Kazuhiro; Yanagisawa, Akira; Imamoto, Tsuneo","Enantiopure 1,2-bis(tert-butylmethylphosphino)benzene as a highly efficient ligand in rhodium-catalyzed asymmetric hydrogenation.","Organic letters","2010","12","19","4400","4403","10.1021/ol101936w","","","0.71073","MoKα","","0.0585","0.0409","","","0.1067","0.126","","","","","","0.792","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503242","10.2408","0.0002","19.6871","0.0004","19.3546","0.0003","90","","91.221","0.002","90","","3901.23","0.13","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C184 H176 N16 O32 -","8","2","","Presset, Marc; Coquerel, Yoann; Rodriguez, Jean","Periselectivity switch of acylketenes in cycloadditions with 1-azadienes: microwave-assisted diastereoselective domino three-component synthesis of α-spiro-δ-lactams.","Organic letters","2010","12","18","4212","4215","10.1021/ol101938r","","x-ray","0.71073","MoKα","","0.1289","0.0718","","","0.1942","0.2491","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503243","14.506","0.0014","12.0613","0.0012","25.6865","0.0018","90","","113.7","0.004","90","","4115.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br N O4 -","- C22 H22 Br N O4 -","- C176 H176 Br8 N8 O32 -","8","2","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou","Sequential organocatalytic Stetter and Michael-Aldol condensation reaction: asymmetric synthesis of fully substituted cyclopentenes via a [1 + 2 + 2] annulation strategy.","Organic letters","2010","12","21","4812","4815","10.1021/ol101969t","","","0.71073","MoKα","","0.0885","0.0515","","","0.1137","0.1315","","","","","","1.022","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503244","13.1062","0.0013","13.1062","0.0013","23.513","0.005","90","","90","","120","","3497.8","0.9","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C48 H52 Br2 N2 O12 -","- C48 H52 Br2 N2 O12 -","- C144 H156 Br6 N6 O36 -","3","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou","Sequential organocatalytic Stetter and Michael-Aldol condensation reaction: asymmetric synthesis of fully substituted cyclopentenes via a [1 + 2 + 2] annulation strategy.","Organic letters","2010","12","21","4812","4815","10.1021/ol101969t","","","0.71073","MoKα","","0.0266","0.0258","","","0.0614","0.0618","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503245","21.376","0.005","9.2038","0.0018","17.855","0.004","90","","100.141","0.004","90","","3457.9","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C176 H160 N16 O8 -","8","1","","Chen, Zhiyuan; Wu, Jie","Efficient generation of biologically active H-pyrazolo[5,1-a]isoquinolines via multicomponent reaction.","Organic letters","2010","12","21","4856","4859","10.1021/ol101988q","","","0.71073","MoKα","","0.1062","0.057","","","0.1374","0.1596","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503246","25.683","0.003","12.1372","0.0013","11.0178","0.0012","90","","90","","90","","3434.5","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C152 H152 Br8 O16 -","8","1","","Tang, Xiang-Ying; Wei, Yin; Shi, Min","Thermally induced electrocyclic reaction of methylenecyclopropane methylene diketone derivatives: a facile method for the synthesis of spiro[2.5]octa-3,5-dienes.","Organic letters","2010","12","22","5120","5123","10.1021/ol102002f","","","0.71073","MoKα","","0.122","0.0488","","","0.1294","0.1556","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503247","12.076","0.0008","15.9699","0.001","28.376","0.0015","90","","90","","90","","5472.4","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H71 Co N7 O14 -","- C54 H69 Co N7 O14 -","- C216 H276 Co4 N28 O56 -","4","1","","ó Proinsias, Keith; Sessler, Jonathan L.; Kurcoń, Sylwester; Gryko, Dorota","New hydrophobic vitamin B12 derivatives via ring-opening reactions of c-lactone.","Organic letters","2010","12","20","4674","4677","10.1021/ol102008n","","","1.54178","CuKα","","0.1054","0.06","","","0.1351","0.1613","","","","","","0.978","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503248","12.966","0.005","8.566","0.003","14.31","0.005","90","","90.27","0.006","90","","1589.3","1","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H8 F16 -","- C48 H8 F16 -","- C96 H16 F32 -","2","0.5","","Loo, Yueh-Lin; Hiszpanski, Anna M.; Kim, Bumjung; Wei, Sujun; Chiu, Chien-Yang; Steigerwald, Michael L.; Nuckolls, Colin","Unusual molecular conformations in fluorinated, contorted hexabenzocoronenes.","Organic letters","2010","12","21","4840","4843","10.1021/ol102016m","","","0.71073","MoKα","","0.1581","0.0584","","","0.1247","0.1674","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503249","14.74","0.002","13.624","0.002","16.06","0.003","90","","99.116","0.003","90","","3184.4","0.9","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H8 F16 -","- C48 H8 F16 -","- C192 H32 F64 -","4","1","","Loo, Yueh-Lin; Hiszpanski, Anna M.; Kim, Bumjung; Wei, Sujun; Chiu, Chien-Yang; Steigerwald, Michael L.; Nuckolls, Colin","Unusual molecular conformations in fluorinated, contorted hexabenzocoronenes.","Organic letters","2010","12","21","4840","4843","10.1021/ol102016m","","","0.71073","MoKα","","0.1838","0.0606","","","0.1028","0.1382","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503250","14.897","0.0011","9.114","0.0006","16.3705","0.0012","90","","109.832","0.001","90","","2090.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Au Cl N2 -","- C21 H28 Au Cl N2 -","- C84 H112 Au4 Cl4 N8 -","4","1","","Seo, Hwimin; Roberts, Benjamin P.; Abboud, Khalil A.; Merz, Jr, Kenneth M; Hong, Sukwon","Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysis.","Organic letters","2010","12","21","4860","4863","10.1021/ol102018z","","","0.71073","MoKα","","0.0195","0.0188","","","0.0503","0.0506","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503251","10.5907","0.0004","10.5907","0.0004","23.7251","0.001","90","","90","","90","","2661.08","0.18","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H40 Au Cl N2 -","- C33 H40 Au Cl N2 -","- C132 H160 Au4 Cl4 N8 -","4","0.5","","Seo, Hwimin; Roberts, Benjamin P.; Abboud, Khalil A.; Merz, Jr, Kenneth M; Hong, Sukwon","Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysis.","Organic letters","2010","12","21","4860","4863","10.1021/ol102018z","","","0.71073","MoKα","","0.0118","0.0112","","","0.0282","0.0283","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503252","9.298","0.0006","9.6606","0.0006","12.1098","0.0007","90","","99.61","0.001","90","","1072.49","0.11","100","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 Au Cl N2 -","- C9 H16 Au Cl N2 -","- C36 H64 Au4 Cl4 N8 -","4","1","","Seo, Hwimin; Roberts, Benjamin P.; Abboud, Khalil A.; Merz, Jr, Kenneth M; Hong, Sukwon","Novel acyclic diaminocarbene ligands with increased steric demand and their application in gold catalysis.","Organic letters","2010","12","21","4860","4863","10.1021/ol102018z","","","0.71073","MoKα","","0.015","0.0146","","","0.0363","0.0365","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503253","12.3938","0.0003","18.8824","0.0005","5.9739","0.0002","90","","90","","90","","1398.04","0.07","292","2","292","2","","","","","","","see text","5","P n a 21","P 2c -2n","33","","","","- C18 H13 N O Se -","- C18 H13 N O Se -","- C72 H52 N4 O4 Se4 -","4","1","","Balkrishna, Shah Jaimin; Bhakuni, Bhagat Singh; Chopra, Deepak; Kumar, Sangit","Cu-catalyzed efficient synthetic methodology for ebselen and related Se-N heterocycles.","Organic letters","2010","12","23","5394","5397","10.1021/ol102027j","","","0.71073","MoKα","","0.0341","0.0242","","","0.048","0.0491","","","","","","0.886","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503254","10.171","0.002","10.807","0.002","15.41","0.003","96.13","0.03","103.5","0.03","100.83","0.03","1597.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cl N3 O8 -","- C30 H36 Cl N3 O8 -","- C60 H72 Cl2 N6 O16 -","2","1","","Che, Chao; Li, Song; Jiang, Xianlong; Quan, Junmin; Lin, Shuo; Yang, Zhen","One-pot syntheses of chromeno[3,4-c]pyrrole-3,4-diones via Ugi-4CR and intramolecular Michael addition.","Organic letters","2010","12","20","4682","4685","10.1021/ol1020477","","","0.71073","MoKα","","0.1031","0.0522","","","0.1144","0.1228","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503255","18.3907","0.0004","7.8435","0.0002","30.5956","0.0007","90","","92.8504","0.0015","90","","4407.88","0.18","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H51 N3 Si3 -","- C45 H51 N3 Si3 -","- C180 H204 N12 Si12 -","4","1","","Ji, Lei; Fang, Qi; Yuan, Mao-Sen; Liu, Zhi-Qiang; Shen, Yu-Xiang; Chen, Hong-Feng","Switching high two-photon efficiency: from 3,8,13-substituted triindole derivatives to their 2,7,12-isomers.","Organic letters","2010","12","22","5192","5195","10.1021/ol102057t","","","0.71069","MoKα","","0.1162","0.0709","","","0.1702","0.193","","","","","","0.988","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503256","7.8592","0.0001","10.66","0.0002","12.4028","0.0002","90","","104.485","0.001","90","","1006.07","0.03","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br N O -","- C10 H10 Br N O -","- C40 H40 Br4 N4 O4 -","4","1","","Ji, Lei; Fang, Qi; Yuan, Mao-Sen; Liu, Zhi-Qiang; Shen, Yu-Xiang; Chen, Hong-Feng","Switching high two-photon efficiency: from 3,8,13-substituted triindole derivatives to their 2,7,12-isomers.","Organic letters","2010","12","22","5192","5195","10.1021/ol102057t","","","0.71069","MoKα","","0.0497","0.0305","","","0.0711","0.0763","","","","","","0.949","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503257","11.5315","0.0004","8.2693","0.0003","22.9998","0.0007","90","","98.143","0.002","90","","2171.09","0.13","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 B -","- C26 H29 B -","- C104 H116 B4 -","4","1","","Ji, Lei; Fang, Qi; Yuan, Mao-Sen; Liu, Zhi-Qiang; Shen, Yu-Xiang; Chen, Hong-Feng","Switching high two-photon efficiency: from 3,8,13-substituted triindole derivatives to their 2,7,12-isomers.","Organic letters","2010","12","22","5192","5195","10.1021/ol102057t","","","0.71069","MoKα","","0.1263","0.056","","","0.137","0.1576","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503258","7.3454","0.0009","10.6476","0.0013","12.4508","0.0016","94.782","0.002","107.021","0.002","102.586","0.002","897.39","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C42 H56 O10 -","2","1","","Yu, Fangmiao; Li, Guozhi; Gao, Peng; Gong, Hongju; Liu, Yinghua; Wu, Yongming; Cheng, Bin; Zhai, Hongbin","Concise synthesis of the oxapentacyclic core of cortistatin A.","Organic letters","2010","12","22","5135","5137","10.1021/ol102058f","","","0.71073","MoKα","","0.0691","0.0561","","","0.1515","0.1596","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503259","6.3338","0.0002","12.6452","0.0005","19.4647","0.0009","90","","90","","90","","1558.97","0.11","150","","150","","","","","","","","","3","P 21 c n","P -2n 2a","33","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Hopkinson, Matthew N.; Ross, Jonathan E.; Giuffredi, Guy T.; Gee, Antony D.; Gouverneur, Véronique","Gold-catalyzed cascade cyclization-oxidative alkynylation of allenoates.","Organic letters","2010","12","21","4904","4907","10.1021/ol102061k","","","0.71073","MoKα","","0.0383","0.0318","","0.0801","0.0767","0.0801","","","","","","0.9601","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503260","9.8904","0.0002","13.3099","0.0002","13.8982","0.0002","90","","90","","90","","1829.56","0.05","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C96 H80 O16 -","8","1","","Hopkinson, Matthew N.; Ross, Jonathan E.; Giuffredi, Guy T.; Gee, Antony D.; Gouverneur, Véronique","Gold-catalyzed cascade cyclization-oxidative alkynylation of allenoates.","Organic letters","2010","12","21","4904","4907","10.1021/ol102061k","","","0.71073","MoKα","","0.0598","0.0461","","0.1353","0.1249","0.1353","","","","","","0.926","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503261","8.428","0.005","8.919","0.005","9.803","0.005","93.261","0.005","100.551","0.005","95.576","0.005","718.9","0.7","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H34 Cl4 N O P Pd -","- C26 H34 Cl4 N O P Pd -","- C26 H34 Cl4 N O P Pd -","1","1","","Dugal-Tessier, Julien; Dake, Gregory R.; Gates, Derek P.","Chiral phosphaalkene-oxazoline ligands for the palladium-catalyzed asymmetric allylic alkylation.","Organic letters","2010","12","20","4667","4669","10.1021/ol1020652","","","0.71069","MoKα","","0.0224","0.0208","","","0.0457","0.0463","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503262","8.713","0.0002","16.661","0.0004","19.286","0.0005","90","","90","","90","","2799.7","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl2 N O P Pd -","- C27.03 H36.07 Cl2 N O P Pd -","- C108.12 H144.28 Cl8 N4 O4 P4 Pd4 -","4","1","","Dugal-Tessier, Julien; Dake, Gregory R.; Gates, Derek P.","Chiral phosphaalkene-oxazoline ligands for the palladium-catalyzed asymmetric allylic alkylation.","Organic letters","2010","12","20","4667","4669","10.1021/ol1020652","","","0.71069","MoKα","","0.0291","0.0264","","","0.0596","0.0606","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503263","16.2858","0.0003","17.5573","0.0003","26.2012","0.0005","87.426","0.001","74.596","0.001","83.114","0.001","7169.9","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C157.5 H200 Ge N20 O6.5 Si3 -","- C157.5 H190 Ge N20 O6.5 Si3 -","- C315 H380 Ge2 N40 O13 Si6 -","2","1","","Zhao, Zhixin; Cammidge, Andrew N.; Hughes, David L.; Cook, Michael J.","Modular face-to-face assembly of multichromophore arrays that absorb across the complete UV-visible spectrum and into the near-IR.","Organic letters","2010","12","22","5138","5141","10.1021/ol102068d","","","0.71073","MoKα","","0.096","0.0763","","","0.1678","0.1773","","","","","","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503264","9.212","0.004","10.137","0.004","25.14","0.011","90","","90","","90","","2347.6","1.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 N2 O5 -","- C26 H34 N2 O5 -","- C104 H136 N8 O20 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Total synthesis of (-)-nakadomarin A.","Organic letters","2010","12","21","4912","4915","10.1021/ol102079z","","","0.71073","MoKα","","0.1394","0.0936","","","0.131","0.2033","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503265","7.1542","0.001","10.488","0.0014","15.104","0.002","71.185","0.002","82.371","0.002","74.79","0.002","1033.7","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H17 Br2 Cl2 N5 O3 S -","- C14 H17 Br2 Cl2 N5 O3 S -","- C28 H34 Br4 Cl4 N10 O6 S2 -","2","1","","Mukherjee, Sabuj; Sivappa, Rasapalli; Yousufuddin, Muhammed; Lovely, Carl J.","Asymmetric total synthesis of ent-cyclooroidin.","Organic letters","2010","12","21","4940","4943","10.1021/ol1020916","","","0.71073","MoKα","","0.052","0.0369","","","0.1064","0.1332","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503266","7.8779","0.0009","11.7191","0.0014","20.476","0.002","90","","90","","90","","1890.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl O6 -","- C20 H17 Cl O6 -","- C80 H68 Cl4 O24 -","4","1","","Liu, Chunliang; Zhang, Xinshuai; Wang, Rui; Wang, Wei","""One-pot"" access to 4H-chromenes with formation of a chiral quaternary stereogenic center by a highly enantioselective iminium-allenamine involved oxa-Michael-aldol cascade.","Organic letters","2010","12","21","4948","4951","10.1021/ol102096s","","","0.71073","MoKα","","0.0462","0.0356","","","0.08","0.0852","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503267","10.9886","0.0004","14.9452","0.0009","15.3795","0.0006","110.42","0.003","108.303","0.002","100.582","0.003","2121.73","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C107.5 H103.5 N10.5 O8.5 -","- C100 H88 N6 O6 -","- C100 H88 N6 O6 -","1","0.5","","Baumes, Jeffrey M.; Murgu, Ivan; Oliver, Allen; Smith, Bradley D.","Using the rotaxane mechanical bond to enhance chemical reactivity.","Organic letters","2010","12","21","4980","4983","10.1021/ol102132x","","","0.71073","MoKα","","0.0979","0.0574","","","0.1431","0.1577","","","","","","1.046","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503268","35.322","0.003","10.7751","0.0007","29.684","0.002","90","","122.134","0.007","90","","9566.9","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C110 H114 N12 O10 -","- C98 H86 N8 O6 -","- C392 H344 N32 O24 -","4","0.5","","Baumes, Jeffrey M.; Murgu, Ivan; Oliver, Allen; Smith, Bradley D.","Using the rotaxane mechanical bond to enhance chemical reactivity.","Organic letters","2010","12","21","4980","4983","10.1021/ol102132x","","","0.71073","MoKα","","0.0867","0.0533","","","0.1308","0.1426","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503269","20.3817","0.0017","15.3963","0.0013","12.245","0.001","90","","97.456","0.005","90","","3810","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C98 H86 N8 O6 -","- C98 H86 N8 O6 -","- C196 H172 N16 O12 -","2","0.5","","Baumes, Jeffrey M.; Murgu, Ivan; Oliver, Allen; Smith, Bradley D.","Using the rotaxane mechanical bond to enhance chemical reactivity.","Organic letters","2010","12","21","4980","4983","10.1021/ol102132x","","","0.71073","MoKα","","0.1005","0.0518","","","0.1182","0.1476","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503270","11.152","0.0007","20.0693","0.0009","15.1565","0.0008","90","","111.331","0.007","90","","3159.8","0.3","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C120 H168 Cl8 O32 -","8","4","","Genna, Douglas T.; Hencken, Christopher P.; Siegler, Maxime A.; Posner, Gary H.","α-Chloro-β,γ-ethylenic esters: enantiocontrolled synthesis and substitutions.","Organic letters","2010","12","20","4694","4697","10.1021/ol102142a","","","0.71073","MoKα","","0.0539","0.0456","","","0.1115","0.1177","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503271","10.006","0.003","11.099","0.003","11.923","0.003","80.594","0.006","85.493","0.007","89.428","0.007","1302.3","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H22 Cl4 N3 O2 -","- C26 H22 Cl4 N3 O2 -","- C52 H44 Cl8 N6 O4 -","2","2","","Tetlow, Daniel J.; Hennecke, Ulrich; Raftery, James; Waring, Michael J.; Clarke, David S.; Clayden, Jonathan","Sequential double α-arylation of N-allylureas by asymmetric deprotonation and N→C aryl migration.","Organic letters","2010","12","23","5442","5445","10.1021/ol102155h","","","0.71073","MoKα","","0.0993","0.0805","","","0.1775","0.1873","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503272","21.7453","0.0016","18.8909","0.0014","21.9832","0.0016","90","","100.632","0.001","90","","8875.4","1.1","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H31 N O6 Si0 -","- C22 H31 N O6 -","- C352 H496 N16 O96 -","16","2","","Zhang, Bao; Wee, Andrew G. H.","Di- and trisubstituted γ-lactams via Rh(II)-carbenoid reaction of N-Cα-branched, N-bis(trimethylsilyl)methyl α-diazoamides. Synthesis of (±)-α-allokainic acid.","Organic letters","2010","12","23","5386","5389","10.1021/ol1021564","","","0.71073","MoKα","","0.0557","0.0473","","","0.1277","0.1358","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503273","7.1258","0.0005","7.1258","0.0005","59.557","0.005","90","","90","","90","","3024.1","0.4","173","2","173","2","","","","","","","","4","P 41","P 4w","76","","","","- C16 H14 O7 S -","- C16 H14 O7 S -","- C128 H112 O56 S8 -","8","2","","Wang, Yinchao; Niu, Shubin; Liu, Shuchun; Guo, Liangdong; Che, Yongsheng","The first naturally occurring thiepinols and thienol from an endolichenic fungus Coniochaeta sp.","Organic letters","2010","12","21","5081","5083","10.1021/ol102168z","","","0.71073","MoKα","","0.0787","0.0749","","","0.1796","0.1847","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503274","11.1759","0.0002","13.5506","0.0002","15.9913","0.0002","90","","90","","90","","2421.72","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Psiguadials A","","","- C30 H34 O5 -","- C30 H34 O5 -","- C120 H136 O20 -","4","1","","Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai","Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava.","Organic letters","2010","12","21","5040","5043","10.1021/ol102179u","","","1.54178","CuKα","","0.0427","0.0405","","","0.1124","0.1136","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503275","6.5752","0.001","17.504","0.003","10.7096","0.0018","90","","90.862","0.016","90","","1232.5","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","guajadial","","","- C30 H34 O5 -","- C30 H34 O5 -","- C60 H68 O10 -","2","1","","Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai","Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava.","Organic letters","2010","12","21","5040","5043","10.1021/ol102179u","","","1.54178","CuKα","","0.122","0.1093","","","0.3091","0.3317","","","","","","1.472","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503276","6.2378","0.0002","10.0382","0.0003","26.6925","0.001","90","","90","","90","","1671.39","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O5 -","- C16 H18 Br N O5 -","- C64 H72 Br4 N4 O20 -","4","1","","Shi, Zugui; Tan, Bin; Leong, Wendy Wen Yi; Zeng, Xiaofei; Lu, Min; Zhong, Guofu","Catalytic asymmetric formal [4 + 1] annulation leading to optically active cis-isoxazoline N-oxides.","Organic letters","2010","12","23","5402","5405","10.1021/ol102181r","","","0.71073","MoKα","","0.0582","0.0396","","","0.0853","0.1048","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503277","8.90935","0.00016","21.6684","0.0004","11.1899","0.0008","90","","91.493","0.006","90","","2159.49","0.16","153.1","","153.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 Br F3 O2 -","- C24 H20 Br F3 O2 -","- C96 H80 Br4 F12 O8 -","4","2","","Kawai, Hiroyuki; Tachi, Kentaro; Tokunaga, Etsuko; Shiro, Motoo; Shibata, Norio","Cinchona alkaloid-catalyzed asymmetric trifluoromethylation of alkynyl ketones with trimethylsilyl trifluoromethane.","Organic letters","2010","12","22","5104","5107","10.1021/ol102189c","","","1.54187","CuKα","","","0.0372","","","","0.0925","","","","","","1.085","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503278","10.477","0.0016","10.477","0.0016","15.328","0.003","90","","90","","120","","1457.1","0.4","200.1","","200.1","","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- C9.5 H14 N3 -","- C9.5 H9.5 N3 -","- C57 H57 N18 -","6","1","","Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi","Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties.","Organic letters","2010","12","21","5036","5039","10.1021/ol102200v","","","0.71075","MoKα","","","0.0671","","","","0.2081","","","","","","1.126","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503279","12.412","0.007","19.626","0.011","13.146","0.008","90","","106.484","0.006","90","","3071","3","200.1","","200.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H49 Cl2 N7 -","- C28 H49 Cl2 N7 -","- C112 H196 Cl8 N28 -","4","1","","Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi","Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties.","Organic letters","2010","12","21","5036","5039","10.1021/ol102200v","","","0.7107","MoKα","","","0.0849","","","","0.2281","","","","","","1.091","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503280","9.588","0.004","18.682","0.009","11.326","0.007","90","","108.987","0.019","90","","1918.4","1.7","200.1","","200.1","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H16 N6 -","- C25 H16 N6 -","- C100 H64 N24 -","4","1","","Suzuki, Shuichi; Fukui, Kozo; Fuyuhiro, Akira; Sato, Kazunobu; Takui, Takeji; Nakasuji, Kazuhiro; Morita, Yasushi","Hexaazaphenalene derivatives: one-pot synthesis, hydrogen-bonded chiral helix, and fluorescence properties.","Organic letters","2010","12","21","5036","5039","10.1021/ol102200v","","","0.71075","MoKα","","","0.0377","","","","0.109","","","","","","1.067","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503281","7.6363","0.0009","8.386","0.001","10.5061","0.0013","97.126","0.002","97.259","0.002","99.746","0.002","650.45","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl6 Hg3 N4 -","- C20 H14 Cl6 Hg3 N4 -","- C20 H14 Cl6 Hg3 N4 -","1","0.5","","Suresh, Moorthy; Mandal, Amal Kumar; Saha, Sukdeb; Suresh, E.; Mandoli, Amit; Di Liddo, Rosa; Parnigotto, Pier Paolo; Das, Amitava","Azine-based receptor for recognition of Hg2+ ion: crystallographic evidence and imaging application in live cells.","Organic letters","2010","12","23","5406","5409","10.1021/ol102204r","","","0.71073","MoKα","","0.0638","0.0548","","","0.1156","0.1187","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503282","10.6159","0.0003","12.3314","0.0003","13.4921","0.0003","81.7569","0.0015","74.4479","0.0014","81.2906","0.0014","1672.12","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 I N O -","- C18 H20 I N O -","- C72 H80 I4 N4 O4 -","4","2","","Feula, Antonio; Male, Louise; Fossey, John S.","Diastereoselective preparation of azetidines and pyrrolidines.","Organic letters","2010","12","21","5044","5047","10.1021/ol102215e","","","0.71073","MoKα","","0.0444","0.0366","","","0.0983","0.1022","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503283","6.9828","0.0002","9.0924","0.0005","25.8129","0.0012","90","","93.829","0.003","90","","1635.21","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 I N -","- C18 H20 I N -","- C72 H80 I4 N4 -","4","1","","Feula, Antonio; Male, Louise; Fossey, John S.","Diastereoselective preparation of azetidines and pyrrolidines.","Organic letters","2010","12","21","5044","5047","10.1021/ol102215e","","","0.71073","MoKα","","0.0875","0.0503","","","0.1088","0.124","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503284","19.1303","0.0012","27.5958","0.0017","27.5077","0.0017","90","","98.274","0.001","90","","14370.6","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H100 N12 O12 S -","- C66 H97.5 N12 O12 S -","- C528 H780 N96 O96 S8 -","8","2","","Jia, Chuandong; Wu, Biao; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan","Tetraureas versus triureas in sulfate binding.","Organic letters","2010","12","24","5612","5615","10.1021/ol102221x","","","0.71073","MoKα","","0.182","0.0797","","","0.1794","0.2263","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503285","11.3043","0.0004","10.2934","0.0003","10.2398","0.0003","90","","91.053","0.001","90","","1191.3","0.06","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Miao, Lei; Haque, Imranul; Manzoni, Maria R.; Tham, Weng Siong; Chemler, Sherry R.","Diastereo- and enantioselective copper-catalyzed intramolecular carboamination of alkenes for the synthesis of hexahydro-1H-benz[f]indoles.","Organic letters","2010","12","21","4739","4741","10.1021/ol102233g","","","0.71073","MoKα","","0.0419","0.0313","","","0.0794","0.0866","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503286","5.3412","0.0001","10.8365","0.0003","11.3636","0.0003","94.371","0.001","91.027","0.001","91.355","0.001","655.5","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C28 H38 N2 O6 S2 -","2","1","","Miao, Lei; Haque, Imranul; Manzoni, Maria R.; Tham, Weng Siong; Chemler, Sherry R.","Diastereo- and enantioselective copper-catalyzed intramolecular carboamination of alkenes for the synthesis of hexahydro-1H-benz[f]indoles.","Organic letters","2010","12","21","4739","4741","10.1021/ol102233g","","","0.71073","MoKα","","0.0339","0.029","","","0.0762","0.0809","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503287","10.1023","0.0004","10.2563","0.0006","12.5612","0.0006","78.656","0.004","74.978","0.004","68.06","0.005","1158.71","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N O2 -","- C29 H27 N O2 -","- C58 H54 N2 O4 -","2","1","","Cao, Jian; Huang, Xian","Facile synthesis of tetrahydro-1H-isoindolones via a sequential three-component copper-catalyzed coupling/propargyl-allenyl isomerization/[4 + 2] cyclization reaction.","Organic letters","2010","12","21","5048","5051","10.1021/ol102235t","","","0.71073","MoKα","","0.0587","0.0385","","","0.0954","0.0998","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503288","9.0955","0.001","11.2163","0.0014","11.8083","0.0015","113.64","0.012","108.357","0.011","96.114","0.01","1009.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N O -","- C27 H25 N O -","- C54 H50 N2 O2 -","2","1","","Cao, Jian; Huang, Xian","Facile synthesis of tetrahydro-1H-isoindolones via a sequential three-component copper-catalyzed coupling/propargyl-allenyl isomerization/[4 + 2] cyclization reaction.","Organic letters","2010","12","21","5048","5051","10.1021/ol102235t","","","0.71073","MoKα","","0.0943","0.0399","","","0.0835","0.0948","","","","","","0.832","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1503289","10.3682","0.0014","16.537","0.002","28.698","0.004","90","","90.958","0.002","90","","4919.8","1.1","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 Br Cl4 N9 -","- C50 H46 Br Cl4 N9 -","- C200 H184 Br4 Cl16 N36 -","4","1","","Uchida, Natsuko; Taketoshi, Ayako; Kuwabara, Junpei; Yamamoto, Toshihide; Inoue, Yoshiaki; Watanabe, Yu; Kanbara, Takaki","Synthesis, characterization, and catalytic reactivity of a highly basic macrotricyclic aminopyridine.","Organic letters","2010","12","22","5242","5245","10.1021/ol102236f","","","0.71073","MoKa","","","0.1019","","","","0.3464","","","","","","1.361","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503290","9.91","0.001","6.3413","0.0006","28.512","0.003","90","","96.138","0.002","90","","1781.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 Br O4 -","- C18 H21 Br O4 -","- C72 H84 Br4 O16 -","4","2","","Yang, Juanjuan; Li, Wenjun; Jin, Zhichao; Liang, Xinmiao; Ye, Jinxing","Enantioselective Michael reaction of α-alkyl-β-keto esters and enones under multifunctional catalysis.","Organic letters","2010","12","22","5218","5221","10.1021/ol102256v","","","0.71073","MoKα","","0.1169","0.0444","","","0.0791","0.0988","","","","","","0.879","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503291","11.0609","0.0008","8.0727","0.0007","14.9313","0.0015","90","","109.045","0.005","90","","1260.26","0.19","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H37 I O Si -","- C25 H37 I O Si -","- C50 H74 I2 O2 Si2 -","2","1","","Pradal, Alexandre; Nasr, Alexandre; Toullec, Patrick Y.; Michelet, Veronique","Room-temperature metal-free electrophilic 5-endo-selective iodocarbocyclization of 1,5-enynes.","Organic letters","2010","12","22","5222","5225","10.1021/ol102257z","","","0.71073","MoKα","","0.0487","0.0293","","","0.0578","0.0631","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503292","13.3316","0.0015","13.1483","0.0014","11.2928","0.0013","90","","112.91","0.002","90","","1823.3","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","1","","Chen, Jinlei; Song, Guoyong; Pan, Cheng-Ling; Li, Xingwei","Rh(III)-catalyzed oxidative coupling of N-aryl-2-aminopyridine with alkynes and alkenes.","Organic letters","2010","12","23","5426","5429","10.1021/ol1022596","","","0.71073","MoKα","","0.1181","0.0515","","","0.124","0.1533","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503293","21.7125","0.001","20.0272","0.001","9.6399","0.0004","90","","95.905","0.001","90","","4169.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 N2 -","- C29 H20 N2 -","- C232 H160 N16 -","8","2","","Chen, Jinlei; Song, Guoyong; Pan, Cheng-Ling; Li, Xingwei","Rh(III)-catalyzed oxidative coupling of N-aryl-2-aminopyridine with alkynes and alkenes.","Organic letters","2010","12","23","5426","5429","10.1021/ol1022596","","","0.71073","MoKα","","0.0768","0.043","","","0.1032","0.1294","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503294","9.6691","0.0011","12.2798","0.0013","17.5194","0.0019","86.733","0.002","79.629","0.002","81.639","0.002","2023.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 N2 -","- C27 H22 N2 -","- C108 H88 N8 -","4","2","","Chen, Jinlei; Song, Guoyong; Pan, Cheng-Ling; Li, Xingwei","Rh(III)-catalyzed oxidative coupling of N-aryl-2-aminopyridine with alkynes and alkenes.","Organic letters","2010","12","23","5426","5429","10.1021/ol1022596","","","0.71073","MoKα","","0.0953","0.0478","","","0.1046","0.1283","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503295","9.5949","0.0002","12.2464","0.0002","13.8441","0.0003","112.003","0.001","98.392","0.001","95.769","0.001","1470.58","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 N2 O2 S -","- C30 H46 N2 O2 S -","- C60 H92 N4 O4 S2 -","2","1","","Garnsey, Michelle R.; Lim, Daniel; Yost, Julianne M.; Coltart, Don M.","Development of a strategy for the asymmetric synthesis of polycyclic polyprenylated acylphloroglucinols via N-amino cyclic carbamate hydrazones: application to the total synthesis of (+)-clusianone.","Organic letters","2010","12","22","5234","5237","10.1021/ol1022728","","","0.71073","MoKα","","0.0609","0.043","","","0.1065","0.1181","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503296","8.1021","0.0002","9.1077","0.0002","22.0686","0.0005","90","","90","","90","","1628.48","0.07","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Garnsey, Michelle R.; Lim, Daniel; Yost, Julianne M.; Coltart, Don M.","Development of a strategy for the asymmetric synthesis of polycyclic polyprenylated acylphloroglucinols via N-amino cyclic carbamate hydrazones: application to the total synthesis of (+)-clusianone.","Organic letters","2010","12","22","5234","5237","10.1021/ol1022728","","","0.71073","MoKα","","0.0433","0.0395","","","0.0979","0.1004","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503297","18.994","0.003","7.2836","0.001","25.679","0.004","90","","90","","90","","3552.6","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O3 Si -","- C18 H24 O3 Si -","- C144 H192 O24 Si8 -","8","1","","Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J.","SmI~2~-mediated radical cyclizations directed by a C-Si bond","Organic Letters","2010","12","23","5446","5449","10.1021/ol102278c","","","0.71073","MoKα","","0.125","0.1041","","","0.264","0.2796","","","","","","1.11","","","","has coordinates,has disorder","218626","2020-10-21","18:00:00",""
"1503298","19.902","0.002","24.903","0.003","6.7798","0.0008","90","","90","","90","","3360.2","0.7","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C17 H25 O3.5 Si -","- C17 H25 O3.5 Si -","- C136 H200 O28 Si8 -","8","2","","Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J.","SmI~2~-mediated radical cyclizations directed by a C-Si bond","Organic Letters","2010","12","23","5446","5449","10.1021/ol102278c","","","0.71073","MoKα","","0.0806","0.0652","","","0.104","0.1155","","","","","","1.114","","","","has coordinates","218626","2020-10-21","18:00:00",""
"1503299","19.059","0.003","10.62","0.002","11.276","0.002","90","","102.039","0.004","90","","2232.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 O3 Si -","- C27 H28 O3 Si -","- C108 H112 O12 Si4 -","4","1","","Harb, Hassan Y.; Collins, Karl D.; Garcia Altur, Jose V.; Bowker, Sue; Campbell, Leonie; Procter, David J.","SmI~2~-mediated radical cyclizations directed by a C-Si bond","Organic Letters","2010","12","23","5446","5449","10.1021/ol102278c","","","0.71073","MoKα","","0.0586","0.0432","","","0.1014","0.1072","","","","","","1.015","","","","has coordinates","218626","2020-10-21","18:00:00",""
"1503300","20.92","0.06","7.65","0.02","31.32","0.09","90","","106.74","0.05","90","","4800","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5,5'-Bis{2-{2-[bis(perfluorophenyl)boryl]-3,4,5,6-tetrafluorophenyl}thiazol-5-yl}-2,2'-bithiophene","","- C50 H6 B2 F28 N2 S4 -","- C50 H6 B2 F28 N2 S4 -","- C200 H24 B8 F112 N8 S16 -","4","0.5","","Job, Andre; Wakamiya, Atsushi; Kehr, Gerald; Erker, Gerhard; Yamaguchi, Shigehiro","Electronic tuning of thiazolyl-capped π-conjugated compounds via a coordination/cyclization protocol with B(C6F5)3.","Organic letters","2010","12","23","5470","5473","10.1021/ol102282x","","","0.7107","MoKa","","0.1233","0.1041","","","0.2903","0.319","","","","","","1.217","","","","has coordinates","194611","2020-10-21","18:00:00",""
"1503301","9.643","0.0015","9.7878","0.0015","11.8868","0.0018","69.786","0.004","75.641","0.004","71.826","0.005","987.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 F2 N O3 -","- C25 H21 F2 N O3 -","- C50 H42 F4 N2 O6 -","2","1","","Kizirian, Jean-Claude; Aiguabella, Nuria; Pesquer, Albert; Fustero, Santos; Bello, Paula; Verdaguer, Xavier; Riera, Antoni","Regioselectivity in intermolecular Pauson-Khand reactions of dissymmetric fluorinated alkynes.","Organic letters","2010","12","24","5620","5623","10.1021/ol102283c","","","0.71073","MoKα","","0.055","0.0446","","","0.1228","0.1309","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503302","8.2737","0.0003","8.8338","0.0003","8.9645","0.0003","95.219","0.002","96.834","0.001","101.066","0.001","634.08","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C28 H34 N2 O10 -","2","1","","Kizirian, Jean-Claude; Aiguabella, Nuria; Pesquer, Albert; Fustero, Santos; Bello, Paula; Verdaguer, Xavier; Riera, Antoni","Regioselectivity in intermolecular Pauson-Khand reactions of dissymmetric fluorinated alkynes.","Organic letters","2010","12","24","5620","5623","10.1021/ol102283c","","","0.71073","MoKα","","0.0384","0.0364","","","0.1016","0.1035","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503303","6.1289","0.0007","14.4426","0.0017","21.1","0.003","90","","90","","90","","1867.7","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","1","","Krow, Grant R.; Liu, Nian; Sender, Matthew; Lin, Guoliang; Centafont, Ryan; Sonnet, Philip E.; DeBrosse, Charles; Ross, 3rd, Charles W; Carroll, Patrick J.; Shoulders, Matthew D.; Raines, Ronald T.","Oligomers of a 5-carboxy-methanopyrrolidine β-amino acid. A search for order.","Organic letters","2010","12","23","5438","5441","10.1021/ol1022917","","","0.71069","MoKα","","0.0544","0.0342","","","0.0618","0.0678","","","","","","0.828","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503304","23.844","0.006","6.1411","0.0012","23.447","0.005","90","","110.722","0.006","90","","3211.2","1.2","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H40 N4 O7 -","- C30 H40 N4 O7 -","- C120 H160 N16 O28 -","4","1","","Krow, Grant R.; Liu, Nian; Sender, Matthew; Lin, Guoliang; Centafont, Ryan; Sonnet, Philip E.; DeBrosse, Charles; Ross, 3rd, Charles W; Carroll, Patrick J.; Shoulders, Matthew D.; Raines, Ronald T.","Oligomers of a 5-carboxy-methanopyrrolidine β-amino acid. A search for order.","Organic letters","2010","12","23","5438","5441","10.1021/ol1022917","","","0.71073","MoKα","","0.0848","0.0742","","","0.1802","0.1886","","","","","","1.03","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1503305","15.3881","0.0012","16.3157","0.0009","20.469","0.0011","90","","90","","90","","5139.1","0.6","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H64 B2 N2 Si -","- C60 H64 B2 N2 Si -","- C240 H256 B8 N8 Si4 -","4","1","","Murphy, Stephen K.; Baik, Chul; Lu, Jia-Sheng; Wang, Suning","Single boryl isomerization in silyl-bridged photochromic diboryl dyes.","Organic letters","2010","12","22","5266","5269","10.1021/ol102319t","","","0.71073","MoKα","","0.1597","0.0744","","","0.1529","0.1983","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503306","10.2709","0.0003","10.5742","0.0003","19.7677","0.0006","90","","90","","90","","2146.9","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 F5 N O3 S -","- C20 H26 F5 N O3 S -","- C80 H104 F20 N4 O12 S4 -","4","1","","Fustero, Santos; Moscardó, Javier; Sánchez-Roselló, María; Rodríguez, Elsa; Barrio, Pablo","Tandem nucleophilic addition-intramolecular aza-Michael reaction: facile synthesis of chiral fluorinated isoindolines.","Organic letters","2010","12","23","5494","5497","10.1021/ol102341n","","","1.54178","CuKα","","0.0254","0.0248","","","0.0636","0.064","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503307","22.1879","0.0004","22.1879","0.0004","3.8717","0.0001","90","","90","","90","","1906.05","0.07","120","2","120","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C6 H2.5 Br2 N2 O0.25 S2 -","- C6 H2.5 Br2 N2 O0.25 S2 -","- C48 H20 Br16 N16 O2 S16 -","8","1","","Al-Hashimi, Mohammed; Labram, John G.; Watkins, Scott; Motevalli, Majid; Anthopoulos, Thomas D.; Heeney, Martin","Synthesis and characterization of fused pyrrolo[3,2-d:4,5-d']bisthiazole-containing polymers.","Organic letters","2010","12","23","5478","5481","10.1021/ol102344m","","","0.71073","MoKα","","0.0342","0.0273","","","0.059","0.0613","","","","","","1.084","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503308","23.9704","0.001","23.9704","0.001","6.9043","0.0005","90","","90","","90","","3967.1","0.4","120","2","120","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C12 H18 Br2 N2 S2 Si2 -","- C12 H18 Br2 N2 S2 Si2 -","- C96 H144 Br16 N16 S16 Si16 -","8","1","","Al-Hashimi, Mohammed; Labram, John G.; Watkins, Scott; Motevalli, Majid; Anthopoulos, Thomas D.; Heeney, Martin","Synthesis and characterization of fused pyrrolo[3,2-d:4,5-d']bisthiazole-containing polymers.","Organic letters","2010","12","23","5478","5481","10.1021/ol102344m","","","0.71073","MoKα","","0.1538","0.0624","","","0.0994","0.1206","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503309","7.6062","0.0015","8.0825","0.0016","8.2497","0.0016","68.67","0.03","69.49","0.03","85.84","0.03","441.6","0.2","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 B Br O3 -","- C7 H8 B Br O3 -","- C14 H16 B2 Br2 O6 -","2","1","","Qiu, Di; Mo, Fanyang; Zheng, Zhitong; Zhang, Yan; Wang, Jianbo","Gold(III)-catalyzed halogenation of aromatic boronates with N-halosuccinimides.","Organic letters","2010","12","23","5474","5477","10.1021/ol102350v","","","0.71073","MoKα","","0.1091","0.0865","","","0.2322","0.2524","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503310","11.061","0.002","9.6443","0.0019","13.449","0.003","90","","93.93","0.03","90","","1431.3","0.5","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B Br O3 -","- C13 H18 B Br O3 -","- C52 H72 B4 Br4 O12 -","4","1","","Qiu, Di; Mo, Fanyang; Zheng, Zhitong; Zhang, Yan; Wang, Jianbo","Gold(III)-catalyzed halogenation of aromatic boronates with N-halosuccinimides.","Organic letters","2010","12","23","5474","5477","10.1021/ol102350v","","","0.71073","MoKα","","0.1399","0.0717","","","0.1524","0.1739","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503311","9.867","0.002","11.972","0.002","13.193","0.003","90","","98.78","0.03","90","","1540.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 B Br2 O3 -","- C12 H15 B Br2 O3 -","- C48 H60 B4 Br8 O12 -","4","1","","Qiu, Di; Mo, Fanyang; Zheng, Zhitong; Zhang, Yan; Wang, Jianbo","Gold(III)-catalyzed halogenation of aromatic boronates with N-halosuccinimides.","Organic letters","2010","12","23","5474","5477","10.1021/ol102350v","","","0.71073","MoKα","","0.2306","0.0618","","","0.1024","0.1193","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503312","7.6062","0.0015","8.0825","0.0016","8.2497","0.0016","68.67","0.03","69.49","0.03","85.84","0.03","441.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H8 B Br O3 -","- C7 H8 B Br O3 -","- C14 H16 B2 Br2 O6 -","2","1","","Qiu, Di; Mo, Fanyang; Zheng, Zhitong; Zhang, Yan; Wang, Jianbo","Gold(III)-catalyzed halogenation of aromatic boronates with N-halosuccinimides.","Organic letters","2010","12","23","5474","5477","10.1021/ol102350v","","","0.71073","MoKα","","0.108","0.0852","","","0.2269","0.2472","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503313","8.089","0.003","9.221","0.004","9.805","0.004","70.49","0.03","68.96","0.02","73.73","0.03","632.6","0.5","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C8 H16 N2 O4 S2 -","- C8 H16 N2 O4 S2 -","- C16 H32 N4 O8 S4 -","2","2","","Wang, Yazhou; Hu, Xichao; Du, Haifeng","Vicinal-diamine-based chiral chain dienes as ligands for rhodium(I)-catalyzed highly enantioselective conjugated additions.","Organic letters","2010","12","23","5482","5485","10.1021/ol1023536","","","0.71073","MoKα","","0.1031","0.0882","","","0.2442","0.2712","","","","","","1.1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503314","5.5207","0.0004","10.1453","0.0008","38.011","0.003","90","","90","","90","","2129","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O8 -","- C20 H28 O7.99 -","- C80 H112 O31.96 -","4","1","","Afarinkia, Kamyar; Haji Abdullahi, Mohamed; Scowen, Ian J.","A synthesis of carbasugar-sugar pseudodisaccharides via a cycloaddition-cycloreversion reaction of 2H-pyran-2-ones.","Organic letters","2010","12","23","5564","5566","10.1021/ol102358s","","","0.71073","MoKα","","0.1279","0.0496","","","0.1109","0.1324","","","","","","0.935","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503315","13.019","0.0003","8.5252","0.0002","21.5504","0.0006","90","","101.807","0.001","90","","2341.26","0.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H35 O9 -","- C23 H28 O9 -","- C92 H112 O36 -","4","2","","Afarinkia, Kamyar; Haji Abdullahi, Mohamed; Scowen, Ian J.","A synthesis of carbasugar-sugar pseudodisaccharides via a cycloaddition-cycloreversion reaction of 2H-pyran-2-ones.","Organic letters","2010","12","23","5564","5566","10.1021/ol102358s","","","0.71073","MoKα","","0.058","0.0506","","","0.1428","0.148","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503316","10.6995","0.0009","11.0327","0.0009","14.2428","0.0012","69.378","0.003","84.454","0.003","67.575","0.003","1453.2","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H24 N4 -","- C40 H24 N4 -","- C80 H48 N8 -","2","1","","Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M.","Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes.","Organic letters","2010","12","22","5302","5305","10.1021/ol102384k","","","1.54178","CuKα","","0.035","0.0337","","","0.0855","0.0867","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503317","11.7567","0.0009","11.2192","0.0008","24.6046","0.0018","90","","91.951","0.001","90","","3243.5","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M.","Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes.","Organic letters","2010","12","22","5302","5305","10.1021/ol102384k","","","0.71073","MoKα","","0.0486","0.0438","","","0.1174","0.1231","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503318","10.4667","0.0002","9.4672","0.0002","23.039","0.0004","90","","93.168","0.001","90","","2279.45","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N2 -","- C32 H20 N2 -","- C128 H80 N8 -","4","1","","Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M.","Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes.","Organic letters","2010","12","22","5302","5305","10.1021/ol102384k","","","1.54178","CuKα","","0.0397","0.036","","","0.0907","0.0941","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503319","10.6357","0.0002","12.4031","0.0002","22.803","0.0003","90","","90","","90","","3008.07","0.08","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C160 H112 N16 O8 -","8","1","","Andrew, Trisha L.; Cox, Jason R.; Swager, Timothy M.","Synthesis, reactivity, and electronic properties of 6,6-dicyanofulvenes.","Organic letters","2010","12","22","5302","5305","10.1021/ol102384k","","","1.54178","CuKα","","0.0385","0.0361","","","0.0921","0.0946","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503320","7.3388","0.0008","15.918","0.0018","29.55","0.003","90","","90","","90","","3452","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br2 N O -","- C20 H17 Br2 N O -","- C160 H136 Br16 N8 O8 -","8","2","","Li, Le; Seidel, Daniel","Catalytic enantioselective Friedländer condensations: facile access to quinolines with remote stereogenic centers.","Organic letters","2010","12","21","5064","5067","10.1021/ol1023932","","","0.71073","MoKα","","0.0475","0.0338","","","0.0743","0.0791","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503321","12.191","0.003","7.1808","0.0017","13.68","0.003","90","","103.631","0.004","90","","1163.8","0.5","123.1","","123","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 Cu O5 S -","- C10 H12 Cu O5 S -","- C40 H48 Cu4 O20 S4 -","4","1","","Matsuo, Kazumasa; Shindo, Mitsuru","Cu(II)-catalyzed acylation by thiol esters under neutral conditions: tandem acylation-wittig reaction leading to a one-pot synthesis of butenolides.","Organic letters","2010","12","22","5346","5349","10.1021/ol102407k","","","0.7107","MoKα","","","0.0264","","","","0.0723","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503322","6.9575","0.001","8.3542","0.0012","11.9845","0.0017","74.696","0.003","75.421","0.002","74.571","0.003","635.22","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 Br O4 -","- C13 H13 Br O4 -","- C26 H26 Br2 O8 -","2","1","","Sun, Yin-Wei; Guan, Xiao-Yang; Shi, Min","Synthesis of functionalized chromans by PnBu3-catalyzed reactions of salicylaldimines and salicylaldehydes with allenic ester.","Organic letters","2010","12","24","5664","5667","10.1021/ol102461c","","","0.71073","MoKα","","0.0659","0.0582","","","0.141","0.1453","","","","","","0.978","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503323","11.9314","0.0004","14.6278","0.0005","17.7556","0.0007","90","","90","","90","","3098.89","0.19","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H31 Fe N2 P S -","- C37 H31 Fe N2 P S -","- C148 H124 Fe4 N8 P4 S4 -","4","1","","Zhang, Cheng; Yu, Sai-Bo; Hu, Xiang-Ping; Wang, Dao-Yong; Zheng, Zhuo","New chiral ferrocenyl P,S-ligands for highly diastereo-/enantioselective catalytic [3 + 2] cycloaddition of azomethine ylides with cyclic and acyclic enones.","Organic letters","2010","12","23","5542","5545","10.1021/ol1024647","","","0.71073","MoKα","","0.0466","0.036","","","0.0753","0.0796","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503324","11.135","0.004","12.976","0.004","13.502","0.005","66.977","0.003","72.14","0.004","78.98","0.004","1703.3","1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H24 O4 -","- C18.998 H24 O4 -","- C75.992 H96 O16 -","4","2","","Cai, Zhengxin; Harmata, Michael","Studies directed toward the synthesis of hamigeran B: a catalytic oxidative cyclization.","Organic letters","2010","12","24","5668","5670","10.1021/ol102478h","","","0.71073","MoKα","","0.0565","0.0469","","","0.1209","0.1294","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503325","7.61","0.0007","16.8437","0.0015","13.2376","0.0012","90","","90","","90","","1696.8","0.3","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C20 H18 Cl2 Pd -","- C20 H18 Cl2 Pd -","- C80 H72 Cl8 Pd4 -","4","0.5","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.0244","0.0229","","","0.0485","0.049","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503326","11.846","0.0008","13.2656","0.0009","15.6468","0.0011","90","","90","","90","","2458.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl4 Pd -","- C25 H28 Cl4 Pd -","- C100 H112 Cl16 Pd4 -","4","1","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.0335","0.0321","","","0.075","0.0757","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503327","9.9003","0.0007","10.2094","0.0007","35.051","0.003","90","","90","","90","","3542.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H38 Cl4 Rh2 -","- C41 H36 Cl4 Rh2 -","- C164 H144 Cl16 Rh8 -","4","1","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.0497","0.0396","","","0.0888","0.0928","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503328","5.318","0.0006","13.1826","0.0014","20.997","0.002","90","","90","","90","","1472","0.3","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","1","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.086","0.0386","","","0.0629","0.0738","","","","","","0.857","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503329","39.2278","0.0012","5.012","0.0002","24.2164","0.0007","90","","124.793","0.001","90","","3910","0.2","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","6-Methyl-3,4-di-p-tolyl-4,5-dihydropentalene-1- carboxylic acid methyl ester","","- C25 H24 O2 -","- C25 H24 O2 -","- C200 H192 O16 -","8","1","","Shibata, Yu; Noguchi, Keiichi; Tanaka, Ken","Cationic rhodium(I) complex-catalyzed cotrimerization of propargyl esters and arylacetylenes leading to substituted dihydropentalenes.","Organic letters","2010","12","23","5596","5599","10.1021/ol1025266","","","1.54187","CuKα","","0.0955","0.0581","","","0.1534","0.1833","","","","","","0.909","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503330","10.969","0.004","19.154","0.003","15.685","0.002","90","","104.199","0.014","90","","3194.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H44 B N2 O -","- C41 H44 B N2 O -","- C164 H176 B4 N8 O4 -","4","1","","Taylor, James E.; Jones, Matthew D.; Williams, Jonathan M. J.; Bull, Steven D.","Friedel-Crafts acylation of pyrroles and indoles using 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) as a nucleophilic catalyst.","Organic letters","2010","12","24","5740","5743","10.1021/ol1025348","","","0.71073","MoKα","","0.1218","0.0796","","","0.2174","0.2585","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503331","12.899","0.006","6.511","0.003","15.349","0.008","90","","112.318","0.006","90","","1192.5","1","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H22 Cl2 F3 N O3 -","- C24 H22 Cl2 F3 N O3 -","- C48 H44 Cl4 F6 N2 O6 -","2","1","","Aikawa, Kohsuke; Hioki, Yūta; Mikami, Koichi","Highly enantioselective alkynylation of trifluoropyruvate with alkynylsilanes catalyzed by the BINAP-Pd complex: access to α-trifluoromethyl-substituted tertiary alcohols.","Organic letters","2010","12","24","5716","5719","10.1021/ol102541s","","","0.71073","MoKα","","0.1251","0.0962","","","0.2845","0.3041","","","","","","1.122","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503332","8.3959","0.0009","20.777","0.002","11.9679","0.0013","90","","105.102","0.002","90","","2015.6","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Cl N2 O6 -","- C19 H17 Cl N2 O6 -","- C76 H68 Cl4 N8 O24 -","4","2","","Zhang, Fu-Gen; Yang, Qing-Qing; Xuan, Jun; Lu, Hai-Hua; Duan, Shu-Wen; Chen, Jia-Rong; Xiao, Wen-Jing","Enantioselective conjugate addition of oximes to trisubstituted β-nitroacrylates: an organocatalytic approach to β(2,2)-amino acid derivatives.","Organic letters","2010","12","24","5636","5639","10.1021/ol102580n","","","0.71073","MoKα","","0.0725","0.0647","","","0.1739","0.1816","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503333","9.8701","0.0005","20.1152","0.0011","12.7485","0.0007","90","","112.629","0.002","90","","2336.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 F2 O3 -","- C32 H20 F2 O3 -","- C128 H80 F8 O12 -","4","1","","Sánchez-Larios, Eduardo; Holmes, Janice M.; Daschner, Crystal L.; Gravel, Michel","NHC-catalyzed spiro bis-indane formation via domino Stetter-aldol-Michael and Stetter-aldol-aldol reactions.","Organic letters","2010","12","24","5772","5775","10.1021/ol102685u","","","1.54184","CuKα","","0.057","0.0541","","","0.1411","0.1445","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503334","12.3211","0.0006","18.0094","0.0009","11.1151","0.0006","90","","98.367","0.002","90","","2440.1","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C128 H96 O16 -","4","1","","Sánchez-Larios, Eduardo; Holmes, Janice M.; Daschner, Crystal L.; Gravel, Michel","NHC-catalyzed spiro bis-indane formation via domino Stetter-aldol-Michael and Stetter-aldol-aldol reactions.","Organic letters","2010","12","24","5772","5775","10.1021/ol102685u","","","1.54184","CuKα","","0.0567","0.0555","","","0.1404","0.142","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503335","11.0811","0.0004","12.4394","0.0004","12.5442","0.0004","90","","90","","90","","1729.12","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","","Sánchez-Larios, Eduardo; Holmes, Janice M.; Daschner, Crystal L.; Gravel, Michel","NHC-catalyzed spiro bis-indane formation via domino Stetter-aldol-Michael and Stetter-aldol-aldol reactions.","Organic letters","2010","12","24","5772","5775","10.1021/ol102685u","","","1.54184","CuKα","","0.0406","0.0401","","","0.1079","0.1085","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503336","9.5081","0.0007","9.5081","0.0007","17.135","0.002","90","","90","","120","","1341.5","0.2","173","2","173","2","","","","","","","","5","P 31","P 31","144","10127a","","","- C21 H18 Br N O2 -","- C21 H18 Br N O2 -","- C63 H54 Br3 N3 O6 -","3","1","","Hayashi, Ryuji; Walton, Mary C.; Hsung, Richard P.; Schwab, John H.; Yu, Xueliang","Stereoselective 6π-electron electrocyclic ring closures of 2-halo-amidotrienes via a remote 1,6-asymmetric induction.","Organic letters","2010","12","24","5768","5771","10.1021/ol102693e","","","0.71073","MoKα","","0.0581","0.0389","","","0.0869","0.0941","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503337","22.1067","0.001","8.7972","0.0004","7.6712","0.0003","90","","90","","90","","1491.87","0.11","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 N2 S -","- C16 H16 N2 S -","- C64 H64 N8 S4 -","4","1","","Ramana, Tamminana; Saha, Prasenjit; Das, Manas; Punniyamurthy, Tharmalingam","Copper-catalyzed domino intra- and intermolecular C-S cross-coupling reactions: synthesis of 2-(arylthio)arylcyanamides.","Organic letters","2010","12","1","84","87","10.1021/ol9024088","","","0.71073","MoKα","","0.0798","0.0396","","","0.0654","0.0705","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503338","9.14","0.002","10.032","0.003","15.034","0.004","111.523","0.004","104.962","0.004","95.676","0.004","1209.8","0.6","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","4,5-dimethyl-3,6-dioxa-1,2-disila-1,1,2,2-tetraphenylcyclohexane","","- C28 H28 O2 Si2 -","- C28 H28 O2 Si2 -","- C56 H56 O4 Si4 -","2","1","","Skjel, Miranda K.; Houghton, Adrian Y.; Kirby, Andrea E.; Harrison, Daniel J.; McDonald, Robert; Rosenberg, Lisa","Silane-controlled diastereoselectivity in the tris(pentafluorophenyl)borane-catalyzed reduction of alpha-diketones to silyl-protected 1,2-Diols.","Organic letters","2010","12","2","376","379","10.1021/ol902451h","","","0.71073","MoKα","","0.1016","0.059","","","0.1507","0.1698","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503339","9.5335","0.0006","9.5629","0.0005","9.9966","0.0005","113.758","0.005","101.296","0.005","94.518","0.005","805.25","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H48 O8 Ti2 -","- C26 H48 O8 Ti2 -","- C26 H48 O8 Ti2 -","1","0.5","","Zhou, Shuangliu; Chen, Chi-Ren; Gau, Han-Mou","Highly enantioselective 3-furylation of ketones using (3-furyl)titanium nucleophile.","Organic letters","2010","12","1","48","51","10.1021/ol902454n","","","0.71073","MoKα","","0.0552","0.0459","","","0.136","0.1395","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503340","5.8079","0.0002","7.6752","0.0002","24.1411","0.0006","90","","90","","90","","1076.13","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-Bromo-1-furan-3-yl-1-phenyl-ethanol","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Zhou, Shuangliu; Chen, Chi-Ren; Gau, Han-Mou","Highly enantioselective 3-furylation of ketones using (3-furyl)titanium nucleophile.","Organic letters","2010","12","1","48","51","10.1021/ol902454n","","","0.71073","MoKα","","0.0277","0.0236","","","0.057","0.0577","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503341","11.196","0.001","11.196","0.001","40.747","0.001","90","","90","","90","","5107.7","0.7","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","Psidial A","7,9-dihydroxy-2,2,4a- trimethyl-13-methylene-10-phenyl-1,2,2a,3,4,4a,10, 10a,11,12,13,13a-dodecahydrocyclobuta[6,7] cyclonona[b]chromene-6,8-dicarbaldehyde","","- C30 H34 O5 -","- C30 H34 O5 -","- C240 H272 O40 -","8","1","","Fu, Hui-Zheng; Luo, Yong-Ming; Li, Chuang-Jun; Yang, Jing-Zhi; Zhang, Dong-Ming","Psidials A-C, three unusual meroterpenoids from the leaves of Psidium guajava L.","Organic letters","2010","12","4","656","659","10.1021/ol9024869","","","0.71073","MoKα","","0.0672","0.0473","","","0.114","0.1251","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503342","14.705","0.008","7.976","0.004","12.332","0.007","90","","99.395","0.007","90","","1427","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cl N5 O2 -","- C13 H16 Cl N5 O2 -","- C52 H64 Cl4 N20 O8 -","4","1","","Arico, Joseph W.; Calhoun, Amy K.; Salandria, Kerry J.; McLaughlin, Larry W.","Tetramethylsuccinimide as a directing/protecting group in purine glycosylations.","Organic letters","2010","12","1","120","122","10.1021/ol9025028","","","0.71073","MoKα","","0.0697","0.056","","","0.1236","0.1288","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503343","18.015","0.002","8.9617","0.001","6.7552","0.0008","90","","90","","90","","1090.6","0.2","223","2","223","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H8 F3 N O4 -","- C10 H8 F3 N O4 -","- C40 H32 F12 N4 O16 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid.","Organic letters","2010","12","1","128","131","10.1021/ol9025233","","","0.71073","MoKα","","0.0675","0.0595","","","0.1616","0.1716","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503344","11.0902","0.0008","9.1024","0.0007","27.822","0.002","90","","94.389","0.001","90","","2800.3","0.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O15 S2 -","- C24 H27 N3 O15 S2 -","- C96 H108 N12 O60 S8 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid.","Organic letters","2010","12","1","128","131","10.1021/ol9025233","","","0.71073","MoKα","","0.0416","0.0386","","","0.1015","0.1036","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503345","5.9012","0.0007","6.948","0.0008","16.0585","0.0019","90","","99.931","0.002","90","","648.56","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C32 H28 N4 O8 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid.","Organic letters","2010","12","1","128","131","10.1021/ol9025233","","","0.71073","MoKα","","0.0517","0.0493","","","0.151","0.1536","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503346","12.3692","0.0007","8.2108","0.0005","10.8302","0.0006","90","","94.956","0.001","90","","1095.81","0.11","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F6 N2 O8 -","- C20 H16 F6 N2 O8 -","- C40 H32 F12 N4 O16 -","2","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Anion-controlled stereoselective synthesis of cyclobutane derivatives by solid-state [2 + 2] cycloaddition reaction of the salts of trans-3-(4-pyridyl) acrylic acid.","Organic letters","2010","12","1","128","131","10.1021/ol9025233","","","0.71073","MoKα","","0.0477","0.0451","","","0.1203","0.1227","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503347","29.2045","0.0015","13.3826","0.0007","11.4733","0.0006","90","","99.7","0.001","90","","4420","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22.75 H18 Cl0.5 N2 S2 -","- C22.75 H18 Cl0.5 N2 S2 -","- C182 H144 Cl4 N16 S16 -","8","1","","Balaji, Ganapathy; Phua, Dazril Izrar; Shim, Wong Low; Valiyaveettil, Suresh","Synthesis and characterization of unsymmetric indolodithienopyrrole and extended diindolodithienopyrrole.","Organic letters","2010","12","2","232","235","10.1021/ol902528b","","","0.71073","MoKα","","0.08","0.0696","","","0.2045","0.2147","","","","","","1.101","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503348","10.8111","0.0006","11.6692","0.0006","11.6801","0.0006","95.119","0.001","102.578","0.001","103.294","0.001","1384.49","0.13","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N3 S2 -","- C34 H31 N3 S2 -","- C68 H62 N6 S4 -","2","1","","Balaji, Ganapathy; Phua, Dazril Izrar; Shim, Wong Low; Valiyaveettil, Suresh","Synthesis and characterization of unsymmetric indolodithienopyrrole and extended diindolodithienopyrrole.","Organic letters","2010","12","2","232","235","10.1021/ol902528b","","","0.71073","MoKα","","0.0677","0.0561","","","0.1423","0.1507","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503349","10.7732","0.0004","10.2447","0.0003","14.073","0.0004","90","","95.997","0.002","90","","1544.71","0.09","150","2","150","2","","","","","","","S Ohnmacht","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Br N2 -","- C19 H13 Br N2 -","- C76 H52 Br4 N8 -","4","1","","Ohnmacht, Stephan A.; Culshaw, Andrew J.; Greaney, Michael F.","Direct arylations of 2H-indazoles on water.","Organic letters","2010","12","2","224","226","10.1021/ol902537d","","","0.71073","MoKα","","0.0388","0.0317","","","0.0799","0.0831","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503350","9.0692","0.0011","9.1358","0.0012","10.1628","0.0013","96.846","0.002","114.132","0.002","100.193","0.002","738.92","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","","Han, Xiuling; Lu, Xiyan","Control of chemoselectivity by counteranions of cationic palladium complexes: a convenient enantioselective synthesis of dihydrocoumarins.","Organic letters","2010","12","1","108","111","10.1021/ol902538n","","","0.71073","MoKα","","0.07","0.0544","","","0.1498","0.1593","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503351","6.6963","0.0008","28.726","0.004","7.5586","0.0009","90","","110.643","0.002","90","","1360.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","","Han, Xiuling; Lu, Xiyan","Control of chemoselectivity by counteranions of cationic palladium complexes: a convenient enantioselective synthesis of dihydrocoumarins.","Organic letters","2010","12","1","108","111","10.1021/ol902538n","","","0.71073","MoKα","","0.0912","0.0599","","","0.1496","0.166","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503352","7.7658","0.0013","13.523","0.002","13.641","0.002","90","","90","","90","","1432.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Han, Xiuling; Lu, Xiyan","Control of chemoselectivity by counteranions of cationic palladium complexes: a convenient enantioselective synthesis of dihydrocoumarins.","Organic letters","2010","12","1","108","111","10.1021/ol902538n","","","0.71073","MoKα","","0.0629","0.0442","","","0.098","0.1044","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503353","7.5789","0.0001","15.4126","0.0002","15.8221","0.0003","90","","90","","90","","1848.19","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N O2 P -","- C19 H24 N O2 P -","- C76 H96 N4 O8 P4 -","4","1","","Popovici, Cristinel; Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando","Enantioselective desymmetrization of diphenylphosphinamides via (-)-sparteine-mediated ortho-lithiation. Synthesis of P-chiral ligands.","Organic letters","2010","12","3","428","431","10.1021/ol902545q","","","1.5418","CuKα","","0.0457","0.034","","","0.0757","0.0812","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503354","8.4417","0.0001","16.4362","0.0002","16.0375","0.0002","90","","103.244","0.001","90","","2166.01","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C44 H58 N4 O2 P2 -","- C44 H58 N4 O2 P2 -","- C88 H116 N8 O4 P4 -","2","1","","Popovici, Cristinel; Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando","Enantioselective desymmetrization of diphenylphosphinamides via (-)-sparteine-mediated ortho-lithiation. Synthesis of P-chiral ligands.","Organic letters","2010","12","3","428","431","10.1021/ol902545q","","x-ray","1.54184","CuKα","","0.0445","0.0379","","","0.0967","0.1","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503355","8.833","0.002","10.334","0.003","11.603","0.003","84.817","0.004","80.553","0.004","79.659","0.004","1025.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Br N O2 S2 -","- C21 H18 Br N O2 S2 -","- C42 H36 Br2 N2 O4 S4 -","2","1","","Li, Yifei; Xu, Xianxiu; Tan, Jing; Liao, Peiqiu; Zhang, Jingping; Liu, Qun","Polarity-reversible conjugate addition tuned by remote electronic effects","Organic Letters","2010","12","2","244","247","10.1021/ol902551m","","","0.71069","MoKα","","0.0757","0.0464","","","0.1102","0.1229","","","","","","1.034","","","","has coordinates","218672","2020-10-21","18:00:00",""
"1503356","11.86","0.005","21.361","0.005","6.275","0.005","90","0.005","90","0.005","90","0.005","1589.7","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C64 H68 N4 O12 S8 -","4","1","","Li, Yifei; Xu, Xianxiu; Tan, Jing; Liao, Peiqiu; Zhang, Jingping; Liu, Qun","Polarity-reversible conjugate addition tuned by remote electronic effects","Organic Letters","2010","12","2","244","247","10.1021/ol902551m","","","0.71069","MoKα","","0.0745","0.0524","","","0.111","0.1232","","","","","","1.051","","","","has coordinates","218672","2020-10-21","18:00:00",""
"1503357","10.9558","0.0013","11.5826","0.0014","19.238","0.002","90.415","0.002","96.827","0.002","114.341","0.002","2204.2","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H47 N2 O5 S4 -","- C46 H41 N2 O5 S4 -","- C92 H82 N4 O10 S8 -","2","1","","Li, Yifei; Xu, Xianxiu; Tan, Jing; Liao, Peiqiu; Zhang, Jingping; Liu, Qun","Polarity-reversible conjugate addition tuned by remote electronic effects","Organic Letters","2010","12","2","244","247","10.1021/ol902551m","","","0.71073","MoKα","","0.2195","0.124","","","0.3313","0.3959","","","","","","1.118","","","","has coordinates","218672","2020-10-21","18:00:00",""
"1503358","12.4251","0.0013","8.0536","0.0009","41.671","0.005","90","","93.5629","0.0016","90","","4161.8","0.8","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 O -","- C25 H22 Br N3 O -","- C200 H176 Br8 N24 O8 -","8","2","","Ye, Long; Haddadin, Makhluf J.; Lodewyk, Michael W.; Ferreira, Andrew J.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Cyclopenta[b]pyrroles from triazines: synthetic and mechanistic studies.","Organic letters","2010","12","1","164","167","10.1021/ol902559u","","","0.71073","MoKα","","0.0378","0.0295","","","0.0636","0.0655","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503359","12.4028","0.0011","20.9078","0.0019","8.134","0.0007","90","","96.3","0.0012","90","","2096.5","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br N3 O -","- C25 H22 Br N3 O -","- C100 H88 Br4 N12 O4 -","4","1","","Ye, Long; Haddadin, Makhluf J.; Lodewyk, Michael W.; Ferreira, Andrew J.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Cyclopenta[b]pyrroles from triazines: synthetic and mechanistic studies.","Organic letters","2010","12","1","164","167","10.1021/ol902559u","","","0.71073","MoKα","","0.0598","0.0362","","","0.0821","0.0885","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503360","5.4666","0.0003","22.2114","0.0012","16.1329","0.0009","90","","97.696","0.001","90","","1941.23","0.18","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N4 O S -","- C24 H18 N4 O S -","- C96 H72 N16 O4 S4 -","4","1","","Ye, Long; Haddadin, Makhluf J.; Lodewyk, Michael W.; Ferreira, Andrew J.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Cyclopenta[b]pyrroles from triazines: synthetic and mechanistic studies.","Organic letters","2010","12","1","164","167","10.1021/ol902559u","","","0.71073","MoKα","","0.055","0.0376","","","0.0801","0.0865","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503361","8.3396","0.0002","9.1524","0.0002","12.1045","0.0003","86.0787","0.0012","79.3543","0.0011","85.5743","0.0011","903.91","0.04","150","2","150","2","","","","","","","Didier Pintori","5","P -1","-P 1","2","","","","- C23 H16 I N O2 -","- C23 H16 I N O2 -","- C46 H32 I2 N2 O4 -","2","1","","Pintori, Didier G.; Greaney, Michael F.","Insertion of benzene rings into the amide bond: one-step synthesis of acridines and acridones from aryl amides.","Organic letters","2010","12","1","168","171","10.1021/ol902568x","","","0.71073","MoKα","","0.0458","0.0369","","","0.0762","0.0804","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503362","12.4588","0.0002","9.2224","0.0002","24.7552","0.0005","90","","101.716","0.001","90","","2785.12","0.09","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl0 O2 -","- C20 H12 O2 -","- C160 H96 O16 -","8","2","","Sue, Daisuke; Kawabata, Takeo; Sasamori, Takahiro; Tokitoh, Nobuhiro; Tsubaki, Kazunori","Synthesis of spiro compounds through tandem oxidative coupling and a framework rearrangement reaction.","Organic letters","2010","12","2","256","258","10.1021/ol902571p","","","0.71069","MoKα","","0.0458","0.0365","","","0.0987","0.1052","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503363","10.23","0.0003","15.6383","0.0005","11.589","0.0003","90","","90.667","0.002","90","","1853.88","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 B F2 N6 -","- C18 H23 B F2 N6 -","- C72 H92 B4 F8 N24 -","4","1","","Vivat, Jérôme F; Adams, Harry; Harrity, Joseph P. A.","Ambient temperature nitrogen-directed difluoroalkynylborane Carboni-Lindsey cycloaddition reactions.","Organic letters","2010","12","1","160","163","10.1021/ol902573x","","","0.71073","MoKα","","0.0536","0.0395","","","0.1019","0.1112","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503364","13.8977","0.001","7.8695","0.0007","14.3962","0.001","90","","116.104","0.005","90","","1413.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 B F2 N5 -","- C15 H14 B F2 N5 -","- C60 H56 B4 F8 N20 -","4","1","","Vivat, Jérôme F; Adams, Harry; Harrity, Joseph P. A.","Ambient temperature nitrogen-directed difluoroalkynylborane Carboni-Lindsey cycloaddition reactions.","Organic letters","2010","12","1","160","163","10.1021/ol902573x","","","0.71073","MoKα","","0.0532","0.0413","","","0.1077","0.1156","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503365","7.2691","0.0001","8.1601","0.0001","14.8411","0.0002","90","","90","","90","","880.32","0.02","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Rodrigues, Alessandro; Lee, Ernest E.; Batey, Robert A.","Enantioselective palladium(II)-catalyzed formal [3,3]-sigmatropic rearrangement of 2-allyloxypyridines and related heterocycles.","Organic letters","2010","12","2","260","263","10.1021/ol9025759","","","1.54178","CuKα","","0.0273","0.0266","","","0.0716","0.0724","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503366","12.166","0.003","11.814","0.003","13.814","0.003","90","","106.863","0.005","90","","1900.1","0.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O5 -","- C22 H24 O5 -","- C88 H96 O20 -","4","2","","Bow, William F.; Basak, Ashok K.; Jolit, Anais; Vicic, David A.; Tius, Marcus A.","Enamine-iminium ion Nazarov cyclization of alpha-ketoenones.","Organic letters","2010","12","3","440","443","10.1021/ol9025765","","","0.71075","MoKα","","0.0474","0.0399","","","0.0827","0.0857","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503367","6.916","0.002","12.246","0.004","26.475","0.008","90","","90","","90","","2242.3","1.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","1","","Bow, William F.; Basak, Ashok K.; Jolit, Anais; Vicic, David A.; Tius, Marcus A.","Enamine-iminium ion Nazarov cyclization of alpha-ketoenones.","Organic letters","2010","12","3","440","443","10.1021/ol9025765","","","0.71075","MoKα","","0.212","0.0964","","","0.1207","0.1455","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503368","9.2436","0.0017","15.171","0.003","24.757","0.005","90","","90","","90","","3471.8","1.2","150","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 Cl2 O2 Rh2 -","- C34 H56 Cl2 O2 Rh2 -","- C136 H224 Cl8 O8 Rh8 -","4","1","","Brown, M. Kevin; Corey, E. J.","Catalytic enantioselective formation of chiral-bridged dienes which are themselves ligands for enantioselective catalysis.","Organic letters","2010","12","1","172","175","10.1021/ol9025793","","","0.71073","MoKα","","0.0529","0.0413","","","0.0875","0.0935","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503369","12.9084","0.0008","12.9205","0.0008","38.481","0.002","91.985","0.001","97.364","0.001","91.075","0.001","6359.5","0.6","294","2","294","2","","","","","","","","6","P -1","-P 1","2","compd-3","","","- C48 H42 Cl6 O2 S12 Si4 -","- C48 H42 Cl6 O2 S12 Si4 -","- C192 H168 Cl24 O8 S48 Si16 -","4","2","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.","Organic letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.1087","0.0795","","","0.2297","0.2594","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503370","8.9624","0.0008","19.1122","0.0018","31.228","0.003","90","","90","","90","","5349.1","0.9","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","compd-1","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C192 H176 S48 Si16 -","8","1","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.","Organic letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.0589","0.0411","","","0.0875","0.0972","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503371","8.5149","0.0014","10.6494","0.0017","16.51","0.003","74.37","0.002","89.326","0.002","69.807","0.002","1347.6","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","compd-1-p","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C48 H44 S12 Si4 -","2","1","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.","Organic letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.0634","0.0444","","","0.1073","0.1197","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503372","16.816","0.003","16.811","0.003","38.298","0.007","90","","90","","90","","10827","3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compd-2","","","- C46 H40 S12 Si4 -","- C46 H40 S12 Si4 -","- C368 H320 S96 Si32 -","8","2","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and Crystal Structures of Benzohexathia[7]helicene and Naphthalene Cored Double Helicene","Organic Letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.0774","0.0459","","","0.1172","0.1439","","","","","","0.886","","","","has coordinates","210330","2020-10-21","18:00:00",""
"1503373","37.99","0.03","17.583","0.013","10.968","0.008","90","","102.348","0.018","90","","7157","9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","compd-5","","","- C24 H22 O3.5 S6 Si2 -","- C24 H22 O3.5 S6 Si2 -","- C192 H176 O28 S48 Si16 -","8","1","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and crystal structures of benzohexathia[7]helicene and naphthalene cored double helicene.","Organic letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.1538","0.0791","","","0.1978","0.2227","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503374","15.923","0.002","15.923","0.002","18.741","0.003","90","","90","","120","","4115","1","288","2","288","2","","","","","","","","6","P 63","P 6c","173","toste06","toste06","","- C93 H81 Au Cl O9 P -","- C93 H81 Au Cl O9 P -","- C186 H162 Au2 Cl2 O18 P2 -","2","0.333333","","González, Ana Z; Toste, F. Dean","Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes.","Organic letters","2010","12","1","200","203","10.1021/ol902622b","","","0.71073","MoKα","","0.0703","0.0498","","","0.1447","0.1626","","","","","","1.033","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1503375","13.018","0.0004","17.4743","0.0007","25.6126","0.001","90","","90","","90","","5826.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","AG03-p34","toste16","","- C69 H48 Au Cl3 N O2 P -","- C69 H48 Au Cl3 N O2 P -","- C276 H192 Au4 Cl12 N4 O8 P4 -","4","1","","González, Ana Z; Toste, F. Dean","Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes.","Organic letters","2010","12","1","200","203","10.1021/ol902622b","","","1.54178","CuKα","","0.0525","0.0404","","","0.0829","0.0871","","","","","","1.017","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1503376","7.3489","0.0009","15.339","0.002","9.154","0.001","90","","98.337","0.003","90","","1021","0.2","163.2","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H18 Au Cl N O2 P -","- C22 H18 Au Cl N O2 P -","- C44 H36 Au2 Cl2 N2 O4 P2 -","2","1","","González, Ana Z; Toste, F. Dean","Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes.","Organic letters","2010","12","1","200","203","10.1021/ol902622b","","","0.7107","MoKα","","","0.0364","","","","0.0354","","","","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503377","7.0652","0.0011","20.188","0.003","21.214","0.003","90","","90","","90","","3025.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C152 H104 N24 O8 -","8","1","","Zhao, Tiankun; Xu, Bin","Palladium-catalyzed tandem amination reaction for the synthesis of 4-quinolones.","Organic letters","2010","12","2","212","215","10.1021/ol902626d","","","0.71073","MoKα","","0.0667","0.042","","","0.0925","0.1049","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503378","35.9751","0.0006","11.4216","0.0002","13.04","0.0002","90","","102.239","0.001","90","","5236.27","0.15","120","2","120","2","","","","","","","Vincent Voucher","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 Br O5 P -","- C25 H36 Br O5 P -","- C200 H288 Br8 O40 P8 -","8","1","","Foucher, Vincent; Guizzardi, Benedetta; Groen, Marinus B.; Light, Mark; Linclau, Bruno","A novel, versatile D‒>BCD steroid construction strategy, illustrated by the enantioselective total synthesis of estrone.","Organic letters","2010","12","4","680","683","10.1021/ol902638w","","","0.71073","MoKα","","0.1068","0.0875","","","0.1519","0.1587","","","","","","3.145","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503379","24.029","0.003","24.029","0.003","11.095","0.002","90","","90","","90","","6406.2","1.6","163","2","163","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C37.25 H30.5 Cl2.5 F2 S Si -","- C37.25 H30.5 Cl2.5 F2 S Si -","- C298 H244 Cl20 F16 S8 Si8 -","8","1","","Kim, Youngmin; Kim, Mieock; Gabbaï, François P","Synthesis and anion affinity of a bidendate sulfonium fluorosilane Lewis acid.","Organic letters","2010","12","3","600","602","10.1021/ol902641v","","","0.71073","MoKα","","0.1032","0.0649","","","0.1359","0.1703","","","","","","1.001","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503380","6.6993","0.0002","8.1796","0.0002","13.0249","0.0004","76.378","0.001","78.068","0.001","80.066","0.002","672.89","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C15 H12 N2 O6 -","- C15 H12 N2 O6 -","- C30 H24 N4 O12 -","2","1","","Vanier, Sébastien F; Larouche, Guillaume; Wurz, Ryan P.; Charette, André B","Formal synthesis of belactosin A and hormaomycin via a diastereoselective intramolecular cyclopropanation of an alpha-nitro diazoester.","Organic letters","2010","12","4","672","675","10.1021/ol9026528","","","1.54178","CuKα","","0.0604","0.0353","","","0.0753","0.0815","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503381","14.9683","0.0005","11.3211","0.0004","8.1328","0.0003","90","","96.892","0.002","90","","1368.21","0.08","203","2","203","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O6 -","- C15 H12 N2 O6 -","- C60 H48 N8 O24 -","4","1","","Vanier, Sébastien F; Larouche, Guillaume; Wurz, Ryan P.; Charette, André B","Formal synthesis of belactosin A and hormaomycin via a diastereoselective intramolecular cyclopropanation of an alpha-nitro diazoester.","Organic letters","2010","12","4","672","675","10.1021/ol9026528","","","1.54178","CuKα","","0.0632","0.0455","","","0.1398","0.1501","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503382","15.0235","0.0006","7.429","0.0003","15.0658","0.0005","90","","97.107","0.002","90","","1668.57","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C56 H80 N16 O32 -","8","2","","Vanier, Sébastien F; Larouche, Guillaume; Wurz, Ryan P.; Charette, André B","Formal synthesis of belactosin A and hormaomycin via a diastereoselective intramolecular cyclopropanation of an alpha-nitro diazoester.","Organic letters","2010","12","4","672","675","10.1021/ol9026528","","","1.54178","CuKα","","0.038","0.0374","","","0.0994","0.0999","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503383","22.9778","0.0019","21.9054","0.0018","26.306","0.002","90","","90","","90","","13240.8","1.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C118 H166 F30 N14 O20 -","- C118 H166 F30 N14 O20 -","- C472 H664 F120 N56 O80 -","4","0.5","","Arunachalam, M.; Ghosh, Pradyut","Bistripodand amide host for compartmental recognition of multiple oxyanions.","Organic letters","2010","12","2","328","331","10.1021/ol9026649","","","0.71073","MoKα","","0.0872","0.0608","","","0.1507","0.1701","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503384","13.2436","0.0019","13.671","0.0019","14.757","0.002","92.621","0.004","111.618","0.004","103.739","0.004","2386.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H96 F30 N8 O10 -","- C90 H96 F30 N8 O10 -","- C90 H96 F30 N8 O10 -","1","0.5","","Arunachalam, M.; Ghosh, Pradyut","Bistripodand amide host for compartmental recognition of multiple oxyanions.","Organic letters","2010","12","2","328","331","10.1021/ol9026649","","","0.71073","MoKα","","0.1055","0.0516","","","0.1118","0.135","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503385","5.352","0.009","7.214","0.011","35.96","0.06","90","","90.798","0.017","90","","1388","4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 S8 -","- C28 H22 S8 -","- C56 H44 S16 -","2","0.5","","Chen, Guang; Mahmud, Ilias; Dawe, Louise N.; Zhao, Yuming","Acetylenic phenyldithiafulvene: a versatile synthon for TTFV-based macromolecules.","Organic letters","2010","12","4","704","707","10.1021/ol9026683","","","0.71075","MoKα","","0.1218","0.1143","","","0.3427","0.359","","","","","","1.511","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503386","10.095","0.002","10.465","0.002","17.655","0.004","85.03","0.03","76.92","0.03","66.43","0.03","1665.2","0.7","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C79 H83 P2 -","- C79 H83 P2 -","- C79 H83 P2 -","1","0.5","","Geng, Xue-Li; Hu, Qi; Schäfer, Bernhard; Ott, Sascha","Phosphaalkenes in pi-conjugation with acetylenic arenes.","Organic letters","2010","12","4","692","695","10.1021/ol902688n","","","0.71073","MoKα","","0.0684","0.0517","","","0.1281","0.1398","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503387","11.495","0.005","15.474","0.007","9.384","0.004","90","","99.403","0.006","90","","1646.7","1.2","100","","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Tucker, Joseph W.; Narayanam, Jagan M. R.; Krabbe, Scott W.; Stephenson, Corey R. J.","Electron transfer photoredox catalysis: intramolecular radical addition to indoles and pyrroles.","Organic letters","2010","12","2","368","371","10.1021/ol902703k","","","0.71073","MoKα","","0.0889","0.0594","","","0.1738","0.1947","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503388","5.9972","0.0006","15.79","0.0017","16.6013","0.0017","90","","95.271","0.002","90","","1565.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C72 H68 N4 O8 S4 -","4","1","","Zhu, Ben-Hu; Zheng, Jun-Cheng; Yu, Chang-Bin; Sun, Xiu-Li; Zhou, Yong-Gui; Shen, Qi; Tang, Yong","One-pot highly diastereoselective synthesis of cis-vinylaziridines via the sulfur ylide-mediated aziridination and palladium(0)-catalyzed isomerization.","Organic letters","2010","12","3","504","507","10.1021/ol9027072","","","0.71073","MoKα","","0.0629","0.0523","","","0.1365","0.143","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503389","10.1431","0.001","10.1431","0.001","17.8259","0.0019","90","","90","","120","","1588.3","0.3","173","1","173","1","","","","","","","","3","P 32","P 32","145","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C75 H96 O12 -","3","1","","Caron, Pierre-Yves; Deslongchamps, Pierre","Versatile strategy to access tricycles related to quassinoids and triterpenes.","Organic letters","2010","12","3","508","511","10.1021/ol902711b","","x-ray","0.71073","MoKα","","0.032","0.0289","","","0.0738","0.0779","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503390","15.457","0.003","9.311","0.002","15.892","0.003","90","","110.108","0.013","90","","2147.8","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Caron, Pierre-Yves; Deslongchamps, Pierre","Versatile strategy to access tricycles related to quassinoids and triterpenes.","Organic letters","2010","12","3","508","511","10.1021/ol902711b","","","1.54176","CuKα","","0.0954","0.0756","","","0.1855","0.2075","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503391","11.5889","0.0005","21.2681","0.0009","12.6708","0.0006","90","","90","","90","","3123","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","2","P n a 21","P 2c -2n","33","1-(3-Ethynylphenyl)-2,3,4,5,6-pentaphenylbenzene","1-(3-Ethynylphenyl)-2,3,4,5,6-pentaphenylbenzene","","- C44 H30 -","- C44 H30 -","- C176 H120 -","4","1","","Gagnon, Eric; Rochefort, Alain; Métivaud, Valérie; Wuest, James D.","Hexaphenylbenzenes as potential acetylene sponges.","Organic letters","2010","12","2","380","383","10.1021/ol902723q","","","1.54178","CuKα","","0.0518","0.0479","","","0.136","0.1406","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503392","11.9507","0.0006","12.462","0.0006","13.2343","0.0007","91.379","0.002","98.081","0.002","95.229","0.002","1941.93","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","2","P -1","-P 1","2","1-(3,5-Diethynylphenyl)-2,3,4,5,6-pentaphenylbenzene solvate","1-(3,5-Diethynylphenyl)-2,3,4,5,6-pentaphenylbenzene, toluene solvate","","- C53 H38 -","- C53 H38 -","- C106 H76 -","2","1","","Gagnon, Eric; Rochefort, Alain; Métivaud, Valérie; Wuest, James D.","Hexaphenylbenzenes as potential acetylene sponges.","Organic letters","2010","12","2","380","383","10.1021/ol902723q","","","1.54178","CuKα","","0.046","0.0435","","","0.1174","0.1203","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503393","12.3608","0.0007","45.744","0.003","11.5273","0.0007","90","","100.85","0.002","90","","6401.4","0.7","150","","150","","","","","","","","Synthesized by the authors. See text","2","C 1 c 1","C -2yc","9","Hexaphenylbenzene, phenylacetylene solvate","Hexaphenylbenzene, phenylacetylene solvate","","- C92 H66 -","- C92 H66 -","- C368 H264 -","4","1","","Gagnon, Eric; Rochefort, Alain; Métivaud, Valérie; Wuest, James D.","Hexaphenylbenzenes as potential acetylene sponges.","Organic letters","2010","12","2","380","383","10.1021/ol902723q","","","1.54178","CuKα","","0.0315","0.0312","","","0.0851","0.0854","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503394","6.927","0.0014","9.783","0.002","12.619","0.003","88.48","0.03","89.77","0.03","75.68","0.03","828.3","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C34 H38 N2 O12 -","2","1","","Xu, Silong; Zhou, Lili; Ma, Renqin; Song, Haibin; He, Zhengjie","Phosphine-mediated stereoselective reductive cyclopropanation of alpha-substituted allenoates with aromatic aldehydes.","Organic letters","2010","12","3","544","547","10.1021/ol902747c","","","0.71073","MoKα","","0.0963","0.0603","","","0.1289","0.148","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503395","10.852","0.002","12.744","0.003","10.025","0.002","90","","90.14","0.03","90","","1386.4","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","","Xu, Silong; Zhou, Lili; Ma, Renqin; Song, Haibin; He, Zhengjie","Phosphine-mediated stereoselective reductive cyclopropanation of alpha-substituted allenoates with aromatic aldehydes.","Organic letters","2010","12","3","544","547","10.1021/ol902747c","","","0.71073","MoKα","","0.0702","0.0575","","","0.1859","0.1955","","","","","","1.18","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503396","11.632","0.002","11.974","0.002","20.206","0.004","86.16","0.03","87.59","0.03","64.59","0.03","2536.1","1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C57.5 H63 Cl2.5 O5 -","- C57.5 H63 Cl2.5 O5 -","- C115 H126 Cl5 O10 -","2","1","","Tian, Xiao-Hong; Chen, Chuan-Feng","Synthesis, structures, and conformational characteristics of triptycene-derived calix[5]arenes.","Organic letters","2010","12","3","524","527","10.1021/ol902758g","","","0.71073","MoKα","","0.1117","0.076","","","0.2129","0.241","","","","","","1.027","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503397","13.746","0.003","16.676","0.003","24.705","0.005","90","","90.44","0.03","90","","5663","2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H54 Cl6 O6 -","- C65 H54 Cl6 O6 -","- C260 H216 Cl24 O24 -","4","1","","Tian, Xiao-Hong; Chen, Chuan-Feng","Synthesis, structures, and conformational characteristics of triptycene-derived calix[5]arenes.","Organic letters","2010","12","3","524","527","10.1021/ol902758g","","","0.71073","MoKα","","0.1337","0.122","","","0.2673","0.2768","","","","","","1.239","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503398","7.5838","0.0001","17.6558","0.0006","9.6242","0.0003","90","","98.371","0.002","90","","1274.93","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Redondo, María C; Ribagorda, María; Carreño, M Carmen","Exploring Morita-Baylis-Hillman reactions of p-quinols.","Organic letters","2010","12","3","568","571","10.1021/ol902763g","","","1.54178","CuKα","","0.0366","0.0337","","","0.0888","0.0912","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503399","6.9945","0.0003","8.7663","0.0006","10.623","0.0006","101.662","0.003","98.586","0.003","91.319","0.003","629.81","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C28 H26 N2 O10 -","2","1","","Redondo, María C; Ribagorda, María; Carreño, M Carmen","Exploring Morita-Baylis-Hillman reactions of p-quinols.","Organic letters","2010","12","3","568","571","10.1021/ol902763g","","","0.71073","MoKα","","0.0588","0.0392","","","0.0964","0.1082","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503400","9.7173","0.0001","10.0311","0.0001","10.2086","0.0001","87.683","0.001","80.246","0.001","86.487","0.001","978.401","0.017","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C46 H36 N4 O8 -","2","1","","Redondo, María C; Ribagorda, María; Carreño, M Carmen","Exploring Morita-Baylis-Hillman reactions of p-quinols.","Organic letters","2010","12","3","568","571","10.1021/ol902763g","","","1.54178","CuKα","","0.0569","0.0556","","","0.1466","0.1479","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503401","8.333","0.0006","22.7385","0.0015","10.352","0.0007","90","","105.193","0.004","90","","1892.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","1","","Redondo, María C; Ribagorda, María; Carreño, M Carmen","Exploring Morita-Baylis-Hillman reactions of p-quinols.","Organic letters","2010","12","3","568","571","10.1021/ol902763g","","","0.71073","MoKα","","0.0532","0.0435","","","0.1214","0.1322","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503402","8.2755","0.001","10.0421","0.0013","13.439","0.0018","68.779","0.007","88.397","0.007","82.032","0.007","1030.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H21 Cl2 N O6 -","- C21 H21 Cl2 N O6 -","- C42 H42 Cl4 N2 O12 -","2","1","","Liang, Bo; Kalidindi, Srinivas; Porco, Jr, John A; Stephenson, Corey R. J.","Multicomponent reaction discovery: three-component synthesis of spirooxindoles.","Organic letters","2010","12","3","572","575","10.1021/ol902764k","","","0.71073","MoKα","","0.0555","0.0433","","","0.117","0.1242","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503403","9.1725","0.0004","9.2077","0.0004","9.964","0.0004","98.295","0.002","101.709","0.002","106.97","0.002","769.31","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N O6 S -","- C16 H17 N O6 S -","- C32 H34 N2 O12 S2 -","2","1","","Liang, Bo; Kalidindi, Srinivas; Porco, Jr, John A; Stephenson, Corey R. J.","Multicomponent reaction discovery: three-component synthesis of spirooxindoles.","Organic letters","2010","12","3","572","575","10.1021/ol902764k","","","0.71073","MoKα","","0.0455","0.0369","","","0.0951","0.1006","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503404","8.95","0.003","14.718","0.003","15.388","0.004","102.52","0.02","92.08","0.03","105.12","0.02","1901","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","2","","Bélanger, Guillaume; Darsigny, Véronique; Doré, Michaël; Lévesque, François","Highly diastereoselective synthesis of substituted pyrrolidines using a sequence of azomethine ylide cycloaddition and nucleophilic cyclization.","Organic letters","2010","12","7","1396","1399","10.1021/ol902767b","","","1.54176","CuKα","","0.2189","0.0845","","","0.2134","0.2744","","","","","","0.912","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503405","13.395","0.004","7.347","0.003","17.061","0.012","90","","92.33","0.04","90","","1677.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Br N2 O2 -","- C18 H19 Br N2 O2 -","- C72 H76 Br4 N8 O8 -","4","1","","Bélanger, Guillaume; Darsigny, Véronique; Doré, Michaël; Lévesque, François","Highly diastereoselective synthesis of substituted pyrrolidines using a sequence of azomethine ylide cycloaddition and nucleophilic cyclization.","Organic letters","2010","12","7","1396","1399","10.1021/ol902767b","","","1.54176","CuKα","","0.0943","0.0643","","","0.1793","0.1995","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503406","8.4937","0.0005","13.0651","0.0008","15.3562","0.0009","90","","90","","90","","1704.09","0.18","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Chen, Cheng-Hui; Chen, Yu-Kai; Sha, Chin-Kang","Enantioselective total synthesis of otteliones A and B.","Organic letters","2010","12","7","1377","1379","10.1021/ol902776d","","","0.71073","MoKα","","0.0713","0.0433","","","0.0981","0.1123","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503407","8.6362","0.0002","9.5751","0.0002","30.8559","0.0006","90","","90","","90","","2551.55","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H35 I O2 Si2 -","- C19 H35 I O2 Si2 -","- C76 H140 I4 O8 Si8 -","4","1","","Chen, Cheng-Hui; Chen, Yu-Kai; Sha, Chin-Kang","Enantioselective total synthesis of otteliones A and B.","Organic letters","2010","12","7","1377","1379","10.1021/ol902776d","","","0.71073","MoKα","","0.0197","0.0178","","","0.0478","0.0579","","","","","","1.193","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503408","6.9488","0.0003","12.9267","0.0009","21.5644","0.0012","90","","90","","90","","1937.02","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O3 S -","- C22 H26 O3 S -","- C88 H104 O12 S4 -","4","1","","Lecea, Mercedes; Hernández-Torres, Gloria; Urbano, Antonio; Carreño, M Carmen; Colobert, Françoise","Enantioselective total synthesis of the natural gamma-tocopherol metabolite (S)-gamma-CEHC [(S)-LLU-alpha].","Organic letters","2010","12","3","580","583","10.1021/ol9027804","","","0.71073","MoKα","","0.0401","0.0385","","","0.0998","0.1013","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503409","8.3291","0.0009","13.3826","0.0014","15.8367","0.0017","90","","100.341","0.002","90","","1736.6","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Yao, Wei; Huang, Dejian","Unexpected reactivity of o-nitrosophenol with RCH(2)Br: C-H bond cleavage and annulation to benzoxazoles and benzoxazines (R = Alkynyl).","Organic letters","2010","12","4","736","738","10.1021/ol902812q","","","0.71073","MoKα","","0.0655","0.0537","","","0.1663","0.1763","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503410","10.0799","0.0016","11.8568","0.0018","18.339","0.003","87.936","0.003","87.083","0.003","87.037","0.003","2184.8","0.6","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O3 -","- C24 H30 N4 O3 -","- C96 H120 N16 O12 -","4","2","","Yao, Wei; Huang, Dejian","Unexpected reactivity of o-nitrosophenol with RCH(2)Br: C-H bond cleavage and annulation to benzoxazoles and benzoxazines (R = Alkynyl).","Organic letters","2010","12","4","736","738","10.1021/ol902812q","","","0.71073","MoKα","","0.1391","0.0859","","","0.185","0.209","","","","","","1.081","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503411","7.1436","0.0015","9.869","0.002","20.461","0.004","90","","90","","90","","1442.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09103a","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","","Hayashi, Ryuji; Feltenberger, John B.; Hsung, Richard P.","Torquoselective ring closures of chiral amido trienes derived from allenamides. A tandem allene isomerization-pericyclic ring-closure-intramolecular Diels-Alder cycloaddition.","Organic letters","2010","12","6","1152","1155","10.1021/ol902821w","","","0.71073","MoKα","","0.0465","0.033","","","0.0762","0.0849","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503412","6.3398","0.0007","10.8464","0.0013","34.702","0.004","90","","90","","90","","2386.2","0.5","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","09166a","","","- C27 H30 N2 O4 S -","- C27 H30 N2 O4 S -","- C108 H120 N8 O16 S4 -","4","1","","Hayashi, Ryuji; Feltenberger, John B.; Hsung, Richard P.","Torquoselective ring closures of chiral amido trienes derived from allenamides. A tandem allene isomerization-pericyclic ring-closure-intramolecular Diels-Alder cycloaddition.","Organic letters","2010","12","6","1152","1155","10.1021/ol902821w","","","0.71073","MoKα","","0.0587","0.0404","","","0.0857","0.0945","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503413","5.857","0.003","19.125","0.01","16.336","0.009","90","","90.26","0.01","90","","1829.9","1.7","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","2","","Grenning, Alexander J.; Tunge, Jon A.","Rapid decarboxylative allylation of nitroalkanes.","Organic letters","2010","12","4","740","742","10.1021/ol902828p","","","0.71073","MoKα","","0.1024","0.0866","","","0.1864","0.1968","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503414","10.7996","0.0006","11.8516","0.0007","17.5643","0.001","90","","90","","90","","2248.1","0.2","298","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br2 N O4 -","- C26 H19 Br2 N O4 -","- C104 H76 Br8 N4 O16 -","4","1","","Hong, Bor-Cherng; Kotame, Prakash; Tsai, Chih-Wei; Liao, Ju-Hsiou","Enantioselective total synthesis of (+)-conicol via cascade three-component organocatalysis.","Organic letters","2010","12","4","776","779","10.1021/ol902840x","","","0.71073","MoKα","","0.107","0.0656","","","0.1029","0.1155","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503415","18.5358","0.0018","18.5358","0.0018","10.8967","0.0015","90","","90","","120","","3242.3","0.6","295","2","295","2","","","","","","","","5","P 61","P 61","169","","","","- C22 H20 Br N O4 -","- C22 H20 Br N O4 -","- C132 H120 Br6 N6 O24 -","6","1","","Hong, Bor-Cherng; Kotame, Prakash; Tsai, Chih-Wei; Liao, Ju-Hsiou","Enantioselective total synthesis of (+)-conicol via cascade three-component organocatalysis.","Organic letters","2010","12","4","776","779","10.1021/ol902840x","","","0.71073","MoKα","","0.0938","0.0528","","","0.1005","0.1137","","","","","","0.939","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503416","13.474","0.003","13.507","0.003","14.013","0.003","103.97","0.03","99.34","0.03","118.61","0.03","2053.8","1.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","Dibenzo-24-crown-8-Based Cryptand/Paraquat [2]Catenane","","- C77 H81 F24 N9 O12 P4 -","- C77 H81 F24 N9 O12 P4 -","- C77 H81 F24 N9 O12 P4 -","1","1","","Liu, Ming; Li, Shijun; Hu, Menglong; Wang, Feng; Huang, Feihe","Selectivity algorithm for the formation of two cryptand/paraquat catenanes.","Organic letters","2010","12","4","760","763","10.1021/ol9028463","","","0.71073","MoKα","","0.109","0.0689","","","0.1095","0.1228","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503417","26.682","0.005","16.661","0.003","21.761","0.004","90","","106.66","0.03","90","","9268","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(m-phenylene)-26-crown-8-Based Cryptand/Paraquat [2]Catenane","","- C83 H90 F24 N12 O13 P4 -","- C83 H90 F24 N12 O13 P4 -","- C332 H360 F96 N48 O52 P16 -","4","1","","Liu, Ming; Li, Shijun; Hu, Menglong; Wang, Feng; Huang, Feihe","Selectivity algorithm for the formation of two cryptand/paraquat catenanes.","Organic letters","2010","12","4","760","763","10.1021/ol9028463","","","0.71073","MoKα","","0.1329","0.0989","","","0.2633","0.2988","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503418","10.2696","0.0003","12.6091","0.0003","17.8108","0.0005","90","","90","","90","","2306.33","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H40 O3 Si -","- C21 H40 O3 Si -","- C84 H160 O12 Si4 -","4","1","","Schöttner, Elisabeth; Wiechoczek, Maren; Jones, Peter G.; Lindel, Thomas","Enantiospecific synthesis of the cubitane skeleton.","Organic letters","2010","12","4","784","787","10.1021/ol902854t","","","1.54184","CuKα","","0.0258","0.0256","","","0.0687","0.0688","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503419","24.0276","0.0008","15.7652","0.0005","6.8485","0.0003","90","","90","","90","","2594.21","0.16","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H46 O2 Si -","- C26 H46 O2 Si -","- C104 H184 O8 Si4 -","4","1","","Schöttner, Elisabeth; Wiechoczek, Maren; Jones, Peter G.; Lindel, Thomas","Enantiospecific synthesis of the cubitane skeleton.","Organic letters","2010","12","4","784","787","10.1021/ol902854t","","","1.54184","CuKα","","0.0393","0.0364","","","0.0958","0.0976","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503420","9.62","0.003","12.162","0.003","16.18","0.004","90","","100.708","0.003","90","","1860.1","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O S2 -","- C23 H20 O S2 -","- C92 H80 O4 S8 -","4","1","","Qin, Qian; Mague, Joel T.; Pascal, Jr, Robert A","An in-ketocyclophane.","Organic letters","2010","12","5","928","930","10.1021/ol9028572","","","0.71073","MoKα","","0.0896","0.0684","","","0.1689","0.1829","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503421","20.0117","0.0015","10.0091","0.0009","10.6634","0.0009","90","","115.921","0.002","90","","1921","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 O5 S2 -","- C23 H20 O5 S2 -","- C92 H80 O20 S8 -","4","0.5","","Qin, Qian; Mague, Joel T.; Pascal, Jr, Robert A","An in-ketocyclophane.","Organic letters","2010","12","5","928","930","10.1021/ol9028572","","","0.71073","MoKα","","0.0482","0.0408","","","0.109","0.1149","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503422","25.455","0.001","11.706","0.001","15.9","0.001","90","","108.646","0.003","90","","4489.1","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(cyclohexylamino)-4-[(2,2-dimethoxy-2-phenyethyl)amino]-1H-iso chromen-1-one","","- C25 H30 N2 O4 -","- C25 H30 N2 O4 -","- C200 H240 N16 O32 -","8","1","","Faggi, Cristina; García-Valverde, María; Marcaccini, Stefano; Menchi, Gloria","Isolation of ugi four-component condensation primary adducts: a straightforward route to isocoumarins.","Organic letters","2010","12","4","788","791","10.1021/ol9028622","","x-ray","1.54178","CuKα","","0.111","0.0409","","","0.0838","0.0959","","","","","","0.85","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503423","16.221","0.003","6.3082","0.0013","18.484","0.004","90","","106.31","0.03","90","","1815.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F3 N O2 S -","- C19 H18 F3 N O2 S -","- C76 H72 F12 N4 O8 S4 -","4","1","","Ye, Siyu; Yu, Zhi-Xiang","Gold(I)-catalyzed ring expansions of unactivated alkynylcyclopropanes to (e)-2-alkylidenecyclobutanamines in the presence of sulfonamides.","Organic letters","2010","12","4","804","807","10.1021/ol9028786","","","0.71073","MoKα","","0.0552","0.0513","","","0.1118","0.1141","","","","","","1.146","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503424","9.911","","10.101","","11.103","","68.09","","70.35","","68.86","","935.354","","293","2","293","2","","","","","","","","3","P -1","-P 1","2","phenylfuran","5-benzyl-2-(4'-methoxyphenyl)-3-phenylfuran","","- C24 H20 O2 -","- C24 H20 O2 -","- C48 H40 O4 -","2","1","","Schneider, Caroline C.; Caldeira, Helton; Gay, Bibiana M.; Back, Davi F.; Zeni, Gilson","Transmetalation of Z-telluroenynes: stereoselective synthesis of Z-enynols and their application in palladium-catalyzed cyclization.","Organic letters","2010","12","5","936","939","10.1021/ol902896x","","","0.71073","MoKα","","0.1364","0.0554","","","0.1304","0.1624","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503425","14.9632","0.0011","18.7349","0.0015","6.3505","0.0004","90","","90","","90","","1780.3","0.2","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","dihydrofuran","(E)-5-benzylidene-2-isobutyl-2-methyl-3-phenyl-2,5-dihydrofuran","","- C22 H24 O -","- C22 H24 O -","- C88 H96 O4 -","4","1","","Schneider, Caroline C.; Caldeira, Helton; Gay, Bibiana M.; Back, Davi F.; Zeni, Gilson","Transmetalation of Z-telluroenynes: stereoselective synthesis of Z-enynols and their application in palladium-catalyzed cyclization.","Organic letters","2010","12","5","936","939","10.1021/ol902896x","","","0.71073","MoKα","","0.1299","0.0547","","","0.1183","0.1519","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503426","10.4253","0.0003","12.8475","0.0004","19.086","0.0006","78.59","0.002","86.532","0.002","88.841","0.002","2501.16","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H25 Br N2 O4 S -","- C26 H25 Br N2 O4 S -","- C104 H100 Br4 N8 O16 S4 -","4","2","","Liu, Xiaodong; Deng, Leijiao; Jiang, Xianxing; Yan, Wenjin; Liu, Chunliang; Wang, Rui","Asymmetric Aza-Mannich Addition of Oxazolones to N-Tosyl Aldimines: Synthesis of Chiral α-Disubstituted α,β-Diamino Acids","Organic letters","2010","12","4","876","879","10.1021/ol902916s","","","0.71073","MoKα","","0.1229","0.0534","","","0.1142","0.1443","","","","","","0.997","","","","has coordinates","210331","2020-10-21","18:00:00",""
"1503427","17.276","0.005","17.432","0.005","18.466","0.005","90","","91.919","0.013","90","","5558","3","200.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C56.3 H46.3 Cl3.9 F12 N3 P2 -","- C56.15 H46.15 Cl3.375 F12 N3 P2 -","- C224.6 H184.6 Cl13.5 F48 N12 P8 -","4","1","","Matsumoto, Kouzou; Inokuchi, Daisuke; Hirao, Yasukazu; Kurata, Hiroyuki; Sato, Kazunobu; Takui, Takeji; Kubo, Takashi","Synthesis and identification of a trimethylenemethane derivative pi-extended with three pyridinyl radicals.","Organic letters","2010","12","4","836","839","10.1021/ol902937k","","","0.71075","MoKα","","","0.0975","","","","0.3416","","","","","","1.305","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503428","14.1471","0.0016","9.6689","0.0011","15.6438","0.0017","90","","101.356","0.002","90","","2098","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H40 Cl2 N4 O4 -","- C49 H40 Cl2 N4 O4 -","- C98 H80 Cl4 N8 O8 -","2","0.5","","Dogutan, Dilek K.; Bediako, D. Kwabena; Teets, Thomas S.; Schwalbe, Matthias; Nocera, Daniel G.","Efficient synthesis of hangman porphyrins.","Organic letters","2010","12","5","1036","1039","10.1021/ol902947h","","","0.71073","MoKα","","0.0935","0.0762","","","0.229","0.2524","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503429","13.3905","0.0007","14.3534","0.0007","14.7139","0.0007","89.899","0.003","88.145","0.003","87.412","0.003","2823.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H10 F20 N4 -","- C44 H10 F20 N4 -","- C132 H30 F60 N12 -","3","1.5","","Dogutan, Dilek K.; Bediako, D. Kwabena; Teets, Thomas S.; Schwalbe, Matthias; Nocera, Daniel G.","Efficient synthesis of hangman porphyrins.","Organic letters","2010","12","5","1036","1039","10.1021/ol902947h","","","1.54178","CuKα","","0.1109","0.0854","","","0.2127","0.2428","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503430","13.2763","0.0014","13.5303","0.0014","17.55","0.0018","68.543","0.002","89.669","0.002","72.898","0.002","2785.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H62 Cl2 N4 O6 -","- C66 H62 Cl2 N4 O6 -","- C132 H124 Cl4 N8 O12 -","2","1","","Dogutan, Dilek K.; Bediako, D. Kwabena; Teets, Thomas S.; Schwalbe, Matthias; Nocera, Daniel G.","Efficient synthesis of hangman porphyrins.","Organic letters","2010","12","5","1036","1039","10.1021/ol902947h","","","0.71073","MoKα","","0.1221","0.0748","","","0.1955","0.2279","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503431","13.8469","0.0012","20.6199","0.0016","28.1033","0.0017","86.439","0.007","77.642","0.007","81.864","0.008","7755.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C136 H94 F36 N8 O7 Zn2 -","- C136 H94 F36 N8 O7 Zn2 -","- C272 H188 F72 N16 O14 Zn4 -","2","1","","Dogutan, Dilek K.; Bediako, D. Kwabena; Teets, Thomas S.; Schwalbe, Matthias; Nocera, Daniel G.","Efficient synthesis of hangman porphyrins.","Organic letters","2010","12","5","1036","1039","10.1021/ol902947h","","","1.54178","CuKα","","0.0834","0.059","","","0.1538","0.1622","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503432","15.257","0.003","7.3998","0.0015","15.245","0.003","90","","91.42","0.03","90","","1720.6","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Zhou, Rong; Wang, Chunzhang; Song, Haibin; He, Zhengjie","Wittig olefination between phosphine, aldehyde, and allylic carbonate: a general method for stereoselective synthesis of trisubstituted 1,3-dienes with highly variable substituents.","Organic letters","2010","12","5","976","979","10.1021/ol902956y","","","0.71073","MoKα","","0.0789","0.05","","","0.0855","0.0909","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503433","16.035","0.003","13.589","0.003","7.4609","0.0015","90","","93.89","0.03","90","","1622","0.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Zhou, Rong; Wang, Chunzhang; Song, Haibin; He, Zhengjie","Wittig olefination between phosphine, aldehyde, and allylic carbonate: a general method for stereoselective synthesis of trisubstituted 1,3-dienes with highly variable substituents.","Organic letters","2010","12","5","976","979","10.1021/ol902956y","","","0.71073","MoKα","","0.0504","0.0418","","","0.1049","0.1109","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503434","6.4007","0.0004","8.3512","0.0007","15.9954","0.0014","93.237","0.003","90.24","0.003","102.451","0.004","833.45","0.11","296","1","296","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 F O4 -","- C20 H15 F O4 -","- C40 H30 F2 O8 -","2","1","","Wu, Yihua; Yao, Weijun; Pan, Lianjie; Zhang, Yiping; Ma, Cheng","N-heterocyclic carbene catalyzed transformations of 3-halopropenals to the equivalents of beta-acylvinyl anions.","Organic letters","2010","12","3","640","643","10.1021/ol902961y","","","0.71075","MoKα","","","0.0729","","","","0.1837","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503435","9.5516","0.0006","9.9896","0.0005","10.7976","0.0007","97.369","0.002","101.399","0.002","107.244","0.002","945.15","0.1","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Br N2 O5 -","- C17 H19 Br N2 O5 -","- C34 H38 Br2 N4 O10 -","2","1","","Wu, Yihua; Yao, Weijun; Pan, Lianjie; Zhang, Yiping; Ma, Cheng","N-heterocyclic carbene catalyzed transformations of 3-halopropenals to the equivalents of beta-acylvinyl anions.","Organic letters","2010","12","3","640","643","10.1021/ol902961y","","","0.71073","MoKα","","0.0899","0.039","","","0.0841","0.1275","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503436","7.9402","0.0002","11.7992","0.0003","15.7954","0.0004","90","","90","","90","","1479.84","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Xiao, Jian; Xu, Feng-Xia; Lu, Yun-Peng; Loh, Teck-Peng","Chemzymes: a new class of structurally rigid tricyclic amphibian organocatalyst inspired by natural product.","Organic letters","2010","12","6","1220","1223","10.1021/ol9029758","","","0.71073","MoKα","","0.071","0.0512","","","0.1272","0.149","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503437","10.6835","0.0006","8.7762","0.0005","12.7768","0.0007","90","","97.709","0.004","90","","1187.13","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 Br N O3 -","- C11 H12 Br N O3 -","- C44 H48 Br4 N4 O12 -","4","2","","Xiao, Jian; Xu, Feng-Xia; Lu, Yun-Peng; Loh, Teck-Peng","Chemzymes: a new class of structurally rigid tricyclic amphibian organocatalyst inspired by natural product.","Organic letters","2010","12","6","1220","1223","10.1021/ol9029758","","","0.71073","MoKα","","0.0862","0.0463","","","0.1263","0.1494","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503439","14.961","0.005","14.961","0.005","25.968","0.005","90","0.005","90","0.005","120","0.005","5034","3","291","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C35 H27 Cl2 N O5 -","- C35 H27 Cl2 N O5 -","- C210 H162 Cl12 N6 O30 -","6","2","","Wei, Qiang; Gong, Liu-Zhu","Organocatalytic asymmetric formal [4 + 2] cycloaddition for the synthesis of spiro[4-cyclohexanone-1,3'-oxindoline] derivatives in high optical purity.","Organic letters","2010","12","5","1008","1011","10.1021/ol100020v","","","0.71073","MoKα","","0.1046","0.0785","","","0.2167","0.2259","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503440","18.093","0.004","9.0114","0.0018","28.029","0.006","90","","101.57","0.03","90","","4477.1","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45.71 H55.01 N3.86 O12.14 -","- C45.712 H55.008 N3.856 O12.144 -","- C182.848 H220.032 N15.424 O48.576 -","4","0.5","","Liu, Ming; Yan, Xuzhou; Hu, Menglong; Chen, Xiaopeng; Zhang, Mingming; Zheng, Bo; Hu, Xiaohuan; Shao, Shuang; Huang, Feihe","Photoresponsive host-guest systems based on a new azobenzene-containing cryptand.","Organic letters","2010","12","11","2558","2561","10.1021/ol100770j","","","0.71073","MoKα","","0.0518","0.0465","","","0.1224","0.127","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503441","6.7733","0.0005","10.6708","0.0006","13.4177","0.0006","90","","91.054","0.005","90","","969.62","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 F12 N2 P2 -","- C16 H14 F12 N2 P2 -","- C32 H28 F24 N4 P4 -","2","0.5","","Liu, Ming; Yan, Xuzhou; Hu, Menglong; Chen, Xiaopeng; Zhang, Mingming; Zheng, Bo; Hu, Xiaohuan; Shao, Shuang; Huang, Feihe","Photoresponsive host-guest systems based on a new azobenzene-containing cryptand.","Organic letters","2010","12","11","2558","2561","10.1021/ol100770j","","","1.54184","CuKα","","0.0728","0.0588","","","0.1765","0.1906","","","","","","1.054","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1503442","6.1272","0.0003","11.7615","0.0006","21.1408","0.0012","90","","90.364","0.004","90","","1523.48","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.","Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.","Organic letters","2010","12","13","3030","3033","10.1021/ol101030r","","","0.71073","MoKα","","0.0624","0.0419","","","0.1129","0.1259","","","","","","0.801","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503443","25.123","0.003","6.487","0.0012","27.418","0.004","90","","134.853","0.008","90","","3167.7","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","1","","Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.","Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.","Organic letters","2010","12","13","3030","3033","10.1021/ol101030r","","","0.71073","MoKα","","0.588","0.1394","","","0.2223","0.3441","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503444","9.7044","0.0002","7.0265","0.0002","23.8043","0.0005","90","","93.659","0.001","90","","1619.86","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.","Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.","Organic letters","2010","12","13","3030","3033","10.1021/ol101030r","","","0.71073","MoKα","","0.078","0.0453","","","0.1081","0.1248","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503445","10.557","0.007","10.13","0.006","10.861","0.007","90","","110.844","0.01","90","","1085.5","1.2","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C40 H60 N4 O8 -","4","2","","Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.","Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.","Organic letters","2010","12","13","3030","3033","10.1021/ol101030r","","","0.71073","MoKα","","0.1505","0.1262","","","0.3396","0.3586","","","","","","1.381","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503446","6.4938","0.0005","10.5697","0.0008","20.8128","0.0015","91.968","0.005","91.78","0.005","99.199","0.003","1408.37","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H25 N O2 -","- C13 H25 N O2 -","- C52 H100 N4 O8 -","4","2","","Mycka, Robert J.; Steward, Omar W.; Fleming, Fraser F.","Gamma-hydroxynitrile alkylations: electrophile-dependent stereoselectivity.","Organic letters","2010","12","13","3030","3033","10.1021/ol101030r","","","0.71073","MoKα","","0.0573","0.0396","","","0.0898","0.1014","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503447","7.4731","0.0002","11.0807","0.0003","13.9955","0.0004","90","","105.044","0.001","90","","1119.21","0.05","90","0.1","90","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C50 H72 O8 -","2","1","","Daoust, Julie; Fontana, Angelo; Merchant, Catherine E.; de Voogd, Nicole J.; Patrick, Brian O.; Kieffer, Timothy J.; Andersen, Raymond J.","Ansellone A, a sesterterpenoid isolated from the nudibranch Cadlina luteromarginata and the sponge Phorbas sp., activates the cAMP signaling pathway.","Organic letters","2010","12","14","3208","3211","10.1021/ol101151f","","","1.54178","CuKα","","0.034","0.0326","","","0.0804","0.0815","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503448","32.0014","0.0017","10.3331","0.0005","22.6217","0.0012","90","","96.632","0.001","90","","7430.3","0.7","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O -","- C23 H24 O -","- C368 H384 O16 -","16","2","","Yang, Chun-Ming; Jeganmohan, Masilamani; Parthasarathy, Kanniyappan; Cheng, Chien-Hong","Highly selective nickel-catalyzed three-component coupling of alkynes with enones and alkenyl boronic acids: a novel route to substituted 1,3-dienes","Organic Letters","2010","12","16","3610","3613","10.1021/ol101319f","","","0.71073","MoKα","","0.1525","0.0531","","","0.115","0.154","","","","","","0.937","","","","has coordinates","218634","2020-10-21","18:00:00",""
"1503449","7.424","0.003","15.481","0.007","17.646","0.01","67.579","0.018","79.68","0.017","79.989","0.015","1832","1.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.5 H25 B Cl N3 O S6 -","- C40.5 H25 B Cl N3 O S6 -","- C81 H50 B2 Cl2 N6 O2 S12 -","2","1","","Hayashi, Shin-ya; Inokuma, Yasuhide; Osuka, Atsuhiro","meso-Tris(oligo-2,5-thienylene)-substituted subporphyrins.","Organic letters","2010","12","18","4148","4151","10.1021/ol101746d","","","0.71075","MoKα","","0.1187","0.0878","","","0.2399","0.2738","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503450","29.161","0.0004","29.161","0.0004","17.6054","0.0003","90","","90","","120","","12965.3","0.3","135","2","135","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C90 H102 N6 Si6 -","- C90 H102 N6 Si6 -","- C540 H612 N36 Si36 -","6","0.333333","","Ji, Lei; Fang, Qi; Yuan, Mao-Sen; Liu, Zhi-Qiang; Shen, Yu-Xiang; Chen, Hong-Feng","Switching high two-photon efficiency: from 3,8,13-substituted triindole derivatives to their 2,7,12-isomers.","Organic letters","2010","12","22","5192","5195","10.1021/ol102057t","","","0.71073","MoKα","","0.1038","0.0582","","","0.1458","0.1769","","","","","","0.945","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503451","18.791","0.002","6.8256","0.0007","24.898","0.003","90","","107.546","0.002","90","","3044.8","0.6","160.2","","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37.2 H28 O9 -","- C37.195 H28 O9 -","- C148.78 H112 O36 -","4","1","","Lumb, Jean-Philip; Krinsky, Jamin L.; Trauner, Dirk","Theoretical investigation of the rubicordifolin cascade.","Organic letters","2010","12","22","5162","5165","10.1021/ol102157d","","","0.7107","MoKα","","0.1462","0.0548","","0.0737","","0.0567","","","","","","1.491","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503452","11.1498","0.0001","11.1498","0.0001","40.4482","0.0008","90","","90","","90","","5028.44","0.12","150","2","150","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","psidial A","","","- C30 H34 O5 -","- C30 H34 O5 -","- C240 H272 O40 -","8","1","","Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai","Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava.","Organic letters","2010","12","21","5040","5043","10.1021/ol102179u","","","1.54178","CuKα","","0.0386","0.0312","","","0.0687","0.0705","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503453","11.5025","0.0012","9.3758","0.001","15.054","0.0016","90","","101.188","0.002","90","","1592.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O -","- C21 H21 N O -","- C84 H84 N4 O4 -","4","1","","Cao, Jian; Huang, Xian","Facile synthesis of tetrahydro-1H-isoindolones via a sequential three-component copper-catalyzed coupling/propargyl-allenyl isomerization/[4 + 2] cyclization reaction.","Organic letters","2010","12","21","5048","5051","10.1021/ol102235t","","","0.71073","MoKα","","0.0689","0.0507","","","0.1128","0.1214","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504325","11.303","0.002","12.251","0.003","21.395","0.004","75.7","0.03","79.57","0.03","62.73","0.03","2543.8","1.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H66 Cl2 O7 -","- C57 H62 Cl2 O7 -","- C114 H124 Cl4 O14 -","2","1","","Tian, Xiao-Hong; Chen, Chuan-Feng","Synthesis, structures, and conformational characteristics of triptycene-derived calix[5]arenes.","Organic letters","2010","12","3","524","527","10.1021/ol902758g","","","0.71073","MoKα","","0.104","0.078","","","0.2337","0.2566","","","","","","1.113","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504997","52.7951","0.0012","7.8456","0.0002","12.2836","0.0002","90","","99.379","0.001","90","","5019.96","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 N3 O3 -","- C30 H27 N3 O3 -","- C240 H216 N24 O24 -","8","1","","Norris, Timothy; VanAlsten, John; Hubbs, Stephen; Ewing, Marcus; Cai, Weiling; Jorgensen, Matthew L.; Bordner, Jon; Jensen, Grace O.","Commercialization and Late-Stage Development of a Semisynthetic Antifungal API: Anidulafungin/d-Fructose (Eraxis)","Organic Process Research & Development","2008","12","3","447","","10.1021/op800055h","","","1.54178","CuKα","","0.0873","0.0688","","","0.1955","0.2172","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504998","13.3413","0.0002","13.3413","0.0002","46.8389","0.0007","90","","90","","120","","7219.94","0.19","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C34 H63 Cl N7 O20.5 -","- C34 H52 Cl N7 O20.5 -","- C204 H312 Cl6 N42 O123 -","6","1","","Norris, Timothy; VanAlsten, John; Hubbs, Stephen; Ewing, Marcus; Cai, Weiling; Jorgensen, Matthew L.; Bordner, Jon; Jensen, Grace O.","Commercialization and Late-Stage Development of a Semisynthetic Antifungal API: Anidulafungin/d-Fructose (Eraxis)","Organic Process Research & Development","2008","12","3","447","","10.1021/op800055h","","","1.54178","CuKα","","0.0874","0.0787","","","0.2223","0.2294","","","","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504999","7.9047","0.0005","13.4494","0.0008","18.2343","0.0011","90","","90","","90","","1938.6","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N5 -","- C21 H27 N5 -","- C84 H108 N20 -","4","1","","Crawford, Jason B.; Chen, Gang; Gauthier, David; Wilson, Trevor; Carpenter, Bryon; Baird, Ian R.; McEachern, Ernie; Kaller, Alan; Harwig, Curtis; Atsma, Bem; Skerlj, Renato T.; Bridger, Gary J.","AMD070, a CXCR4 Chemokine Receptor Antagonist: Practical Large-Scale Laboratory Synthesis","Organic Process Research & Development","2008","12","5","823","","10.1021/op8000993","","","0.71069","MoKα","","0.0523","0.0373","","","0.0756","0.0806","","","","","","0.904","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1509071","5.632","","5.632","","5.632","","90","","90","","90","","178.644","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sodium silver chloride (.799/.201/1)","","- Ag0.201 Cl Na0.799 -","- Ag0.201 Cl Na0.799 -","- Ag0.804 Cl4 Na3.196 -","4","0.0208333","","Urusov, V.S.; Blinov, V.V.","Defect characteristics in solid solutions of Na Cl - Ag Cl","Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya","1970","12","","278","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509167","3.3147","","3.3147","","3.3147","","90","","90","","90","","36.419","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Ag5 Cd Mg4)0.2","","- Ag Cd0.2 Mg0.8 -","- Ag Cd0.2 Mg0.8 -","- Ag Cd0.2 Mg0.8 -","1","0.0208333","","Matsuo, Y.; Katada, K.; Minamigawa, S.","Phase relations of the AgCd - AgMg and AgCd - AgZn quasibinary alloys","Scripta Metallurgica","1978","12","","821","826","10.1016/0036-9748(78)90043-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509171","3.267","","3.267","","3.267","","90","","90","","90","","34.87","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ag (Cd0.6 Zn0.4)","","- Ag Cd0.6 Zn0.4 -","- Ag Cd0.6 Zn0.4 -","- Ag Cd0.6 Zn0.4 -","1","0.0208333","","Katada, K.; Matsuo, Y.; Minamigawa, S.","Phase relations of the Ag Cd - Ag - Mg and Ag Cd - Ag Zn quasibinary alloys","Scripta Metallurgica","1978","12","","821","826","10.1016/0036-9748(78)90043-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509172","3.3248","","3.3248","","3.3248","","90","","90","","90","","36.753","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Ag10 Cd7 Mg3)0.1","","- Ag Cd0.7 Mg0.3 -","- Ag Cd0.7 Mg0.3 -","- Ag Cd0.7 Mg0.3 -","1","0.0208333","","Minamigawa, S.; Matsuo, Y.; Katada, K.","Phase relations of the AgCd - AgMg and AgCd - AgZn quasibinary alloys","Scripta Metallurgica","1978","12","","821","826","10.1016/0036-9748(78)90043-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509456","3.3114","","3.3114","","3.3114","","90","","90","","90","","36.311","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Mg -","- Ag Mg -","- Ag Mg -","1","0.0208333","","Matsuo, Y.; Katada, K.; Minamigawa, S.","Phase relations of the Ag Cd - Ag Mg and Ag Cd - Ag Zn quasibinary alloys","Scripta Metallurgica","1978","12","","821","826","10.1016/0036-9748(78)90043-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509770","6.639","","6.639","","6.639","","90","","90","","90","","292.623","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag2 Cd Mg -","- Ag2 Cd Mg -","- Ag8 Cd4 Mg4 -","4","0.0208333","","Katada, K.; Minamigawa, S.; Matsuo, Y.","Phase relations of the Ag Cd - Ag Mg and Ag Cd - Ag Zn quasibinary alloys","Scripta Metallurgica","1978","12","","821","826","10.1016/0036-9748(78)90043-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510633","8.489","","8.489","","3.038","","90","","90","","90","","218.928","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Ti3 Co5 B2","","- B2 Co5 Ti3 -","- B2 Co5 Ti3 -","- B4 Co10 Ti6 -","2","0.125","","Yarmolyuk, Ya.P.; Kuz'ma, Yu.B.","The crystal structure of Ti3 Co5 B2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","458","461","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510767","6.01","","6.01","","11.049","","90","","90","","90","","399.091","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Mo5 Si B2","","- B2 Mo5 Si -","- B2 Mo5 Si -","- B8 Mo20 Si4 -","4","0.125","","Aronsson, B.","The crystal structure of Mo5 Si B2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1958","12","","31","37","10.3891/acta.chem.scand.12-0031","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511028","6.85","","6.85","","6.7","","90","","90","","120","","272.262","","","","","","","","","","","","","4","P 31","P 31","144","","Ce B O (Si O4)","","- B Ce O5 Si -","- B Ce O5 Si -","- B3 Ce3 O15 Si3 -","3","1","","Voronkov, A.A.; Pyatenko, Yu.A.","X-ray diffraction study of the atomic structure of stillwellite Ce B O (Si O4)","Kristallografiya","1967","12","","258","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511066","4.408","","5.225","","5.211","","90","","90","","90","","120.019","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Co3 B","","- B Co3 -","- B Co3 -","- B4 Co12 -","4","0.5","","Rundqvist, S.","Crystal structure of Ni3 B and Co3 B","Acta Chemica Scandinavica (1-27,1973-42,1988)","1958","12","","658","662","10.3891/acta.chem.scand.12-0658","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511118","9.33","","9.39","","3.098","","90","","90","","90","","271.412","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Mg2 (B O3) F","","- B F Mg2 O3 -","- B F Mg2 O3 -","- B4 F4 Mg8 O12 -","4","0.5","","Brovkin, A.A.; Kuz'min, E.A.; Pyatkin, S.L.; Nikishova, L.V.","Crystal structure of beta-Mg2 B O3 F","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","183","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511169","15.41","","7.86","","4.57","","90","","90","","90","","553.53","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","(Mo1.7 Ge0.3) B","","- B Ge0.3 Mo1.7 -","- B Ge0.3 Mo1.7 -","- B16 Ge4.8 Mo27.2 -","16","0.5","","Kuz'ma, Yu.B.; Marko, M.A.; Saakyan, L.S.","X-ray study of molybdenum-germanium-boron and tungsten-germanium- boron systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1976","12","","1307","1309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511279","9.275","","9.275","","3.775","","90","","90","","120","","281.239","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Tl3 B O3","","- B O3 Tl3 -","- B O3 Tl3 -","- B2 O6 Tl6 -","2","0.166667","","Marchand, R.; Piffard, Y.; Tournoux, M.","Structure et filiation structurale de phases Tl6 S O7 et Tl3 B O3","Revue de Chimie Minerale","1975","12","","210","217","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511285","6.544","","6.544","","8.81","","90","","90","","120","","326.733","","","","","","","","","","","","","3","P 1 1 m","P -2","6","","Y (B O3)","","- B O3 Y -","- B O3 Y -","- B6 O18 Y6 -","6","3","","Morgan, P.E.D.; Carroll, P.J.; Lange, F.F.","Crystal structure of Y Si O2 N and a reappraisal of the ""vaterite"" type, Y B O3","Materials Research Bulletin","1977","12","","251","260","10.1016/0025-5408(77)90142-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511329","6.8015","","6.8015","","3.33771","","90","","90","","120","","133.718","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ti6 Si2 B","","- B Si2 Ti6 -","- B Si2 Ti6 -","- B Si2 Ti6 -","1","0.0833333","","Rogl, P.; Grytsiv, A.V.; Coelho, G.C.; Suzuki, P.A.; Nunes, C.A.; Rodrigues, G.; Ramos, A.S.","Ti6 Si2 B, a new ternary phase in the Ti - Si - B system","Intermetallics","2004","12","","487","491","10.1016/j.intermet.2004.01.001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511353","11.206","","11.206","","7.8641","","90","","90","","90","","987.53","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Ce3 Co29 Si4 B10","","- B10 Ce3 Co29 Si4 -","- B10 Ce3 Co29 Si4 -","- B20 Ce6 Co58 Si8 -","2","0.125","","Campbell, S.J.; Edge, A.V.J.; Zhang, H.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511354","11.1893","","11.1893","","7.8581","","90","","90","","90","","983.838","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Dy3 Co29 Si4 B10","","- B10 Co29 Dy3 Si4 -","- B10 Co29 Dy3 Si4 -","- B20 Co58 Dy6 Si8 -","2","0.125","","Edge, A.V.J.; Campbell, S.J.; Zhang, H.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511355","11.175","","11.175","","7.851","","90","","90","","90","","980.438","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Er3 Co29 Si4 B10","","- B10 Co29 Er3 Si4 -","- B10 Co29 Er3 Si4 -","- B20 Co58 Er6 Si8 -","2","0.125","","Zhang, H.; Campbell, S.J.; Edge, A.V.J.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511356","11.209","","11.209","","7.8709","","90","","90","","90","","988.913","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Gd3 Co29 Si4 B10","","- B10 Co29 Gd3 Si4 -","- B10 Co29 Gd3 Si4 -","- B20 Co58 Gd6 Si8 -","2","0.125","","Zhang, H.; Campbell, S.J.; Edge, A.V.J.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511357","11.182","","11.182","","7.853","","90","","90","","90","","981.917","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Ho3 Co29 Si4 B10","","- B10 Co29 Ho3 Si4 -","- B10 Co29 Ho3 Si4 -","- B20 Co58 Ho6 Si8 -","2","0.125","","Campbell, S.J.; Edge, A.V.J.; Zhang, H.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511358","11.287","","11.287","","7.9193","","90","","90","","90","","1008.89","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","La3 Co29 Si4 B10","","- B10 Co29 La3 Si4 -","- B10 Co29 La3 Si4 -","- B20 Co58 La6 Si8 -","2","0.125","","Campbell, S.J.; Zhang, H.; Edge, A.V.J.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511359","11.164","","11.164","","7.843","","90","","90","","90","","977.511","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Lu3 Co29 Si4 B10","","- B10 Co29 Lu3 Si4 -","- B10 Co29 Lu3 Si4 -","- B20 Co58 Lu6 Si8 -","2","0.125","","Edge, A.V.J.; Zhang, H.; Campbell, S.J.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511360","11.2405","","11.2405","","7.8905","","90","","90","","90","","996.956","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Nd3 Co29 Si4 B10","","- B10 Co29 Nd3 Si4 -","- B10 Co29 Nd3 Si4 -","- B20 Co58 Nd6 Si8 -","2","0.125","","Zhang, H.; Edge, A.V.J.; Campbell, S.J.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511361","11.2456","","11.2456","","7.8912","","90","","90","","90","","997.949","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Pr3 Co29 Si4 B10","","- B10 Co29 Pr3 Si4 -","- B10 Co29 Pr3 Si4 -","- B20 Co58 Pr6 Si8 -","2","0.125","","Zhang, H.; Edge, A.V.J.; Campbell, S.J.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511362","11.2201","","11.2201","","7.8772","","90","","90","","90","","991.666","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sm3 Co29 Si4 B10","","- B10 Co29 Si4 Sm3 -","- B10 Co29 Si4 Sm3 -","- B20 Co58 Si8 Sm6 -","2","0.125","","Edge, A.V.J.; Campbell, S.J.; Zhang, H.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511365","11.1944","","11.1944","","7.8615","","90","","90","","90","","985.161","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Tb3 Co29 Si4 B10","","- B10 Co29 Si4 Tb3 -","- B10 Co29 Si4 Tb3 -","- B20 Co58 Si8 Tb6 -","2","0.125","","Campbell, S.J.; Edge, A.V.J.; Zhang, H.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511366","11.172","","11.172","","7.85","","90","","90","","90","","979.787","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Tm3 Co29 Si4 B10","","- B10 Co29 Si4 Tm3 -","- B10 Co29 Si4 Tm3 -","- B20 Co58 Si8 Tm6 -","2","0.125","","Zhang, H.; Campbell, S.J.; Edge, A.V.J.","Formation and structure of rare-earth intermetallic compounds R3 Co29 M4 B10","Journal of Physics: Condensed Matter","2000","12","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511558","3.011","","3.011","","20.93","","90","","90","","120","","164.332","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","W2 B5","","- B5 W2 -","- B5 W2 -","- B15 W6 -","3","0.0833333","","Plakhina, A.M.; Kuz'ma, Yu.B.; Serebrjakova, T.I.","About polymorphic transformation of W2 B5","Zhurnal Neorganicheskoi Khimii","1967","12","","559","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513327","17.882","0.003","5.4573","0.0003","9.6817","0.0014","90","","104.699","0.008","90","","913.9","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 O -","- C5 H10 O -","- C40 H80 O8 -","8","2","XD5001","Moggach, S. A.; Allan, D. R.; Lozano-Casal, P.; Parsons, S.","High-pressure polymorphism of cyclopentanol (C5H10O): the structure of cyclopentanol phase-V at 1.5 GPa","Journal of Synchrotron Radiation","2005","12","5","590","597","10.1107/S0909049505021461","","","0.6777","synchrotronradiation","","0.0653","0.0487","","0.1278","0.1143","0.1278","","","","","","0.9318","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513328","5.4203","0.0005","5.4203","0.0005","55.98","0.012","90","","90","","120","","1424.3","0.4","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.71073","MoKα","","0.0527","0.0476","","0.1054","0.1032","0.1054","","","","","","1.0671","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513329","5.403","0.0001","5.403","0.0001","55.984","0.004","90","","90","","120","","1415.35","0.11","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0376","0.0351","","0.0894","0.085","0.0894","","","","","","1.0582","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513330","5.3524","0.0002","5.3524","0.0002","55.087","0.014","90","","90","","120","","1366.7","0.4","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0379","0.0356","","0.0891","0.0879","0.0891","","","","","","1.0549","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513331","5.3141","0.0001","5.3141","0.0001","54.291","0.003","90","","90","","120","","1327.75","0.08","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0519","0.0483","","0.1122","0.1097","0.1122","","","","","","1.0538","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513332","5.2663","0.0001","5.2663","0.0001","53.549","0.005","90","","90","","120","","1286.15","0.12","293","","293","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","L-cystine","L-(-)-3,3'-Dithiobis(2-aminopropanoic acid)","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C36 H72 N12 O24 S12 -","6","0.5","XD5007","Moggach, Stephen A.; Allan, David R.; Parsons, Simon; Sawyer, Lindsay; Warren, John E.","The effect of pressure on the crystal structure of hexagonalL-cystine","Journal of Synchrotron Radiation","2005","12","5","598","607","10.1107/S0909049505019850","","","0.6774","Synchrotron","","0.0967","0.0934","","0.2144","0.2112","0.2144","","","","","","1.0884","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514036","8.241","0.001","8.241","0.001","8.241","0.001","90","","90","","90","","559.68","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (1.08/1.92/4)","","- Li1.08 Mn1.92 O3.99 -","- Li1.0816 Mn1.9184 O3.986 -","- Li8.6528 Mn15.3472 O31.888 -","8","0.0416667","","Tu, X. Y.; Shu, K. Y.","X-ray diffraction study on phase transition of orthorhombic Li Mn O2 in electrochemical conversions","Journal of Solid State Electrochemistry","2008","12","","245","249","10.1007/s10008-007-0384-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514037","4.121","0.003","4.121","0.003","4.121","0.003","90","","90","","90","","69.99","0.09","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lithium Manganese Oxide (0.5/0.5/1)","","- Li0.5 Mn0.5 O -","- Li0.4995 Mn0.5005 O1.002 -","- Li1.998 Mn2.002 O4.008 -","4","0.0208333","","Tu, X. Y.; Shu, K. Y.","X-ray diffraction study on phase transition of orthorhombic Li Mn O2 in electrochemical conversions","Journal of Solid State Electrochemistry","2008","12","","245","249","10.1007/s10008-007-0384-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514237","4.451","0.008","4.451","0.008","4.451","0.008","90","","90","","90","","88.2","0.3","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Manganese Oxide","","- Mn O -","- Mn O -","- Mn4 O4 -","4","0.0208333","","Trukhanov, S. V.; Troyanchuk, I. O.; Bobrikov, I. A.; Simkin, V. G.; Balagurov, A. M.","Structure phase separation in the anion-deficient La0.70 Sr0.30 Mn O3- d manganite system","Poverkhnostnye Fizika, Khimiya, Mekhanika","2007","12","","11","17","","","","","","","","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514874","8.1311","0.0002","15.2998","0.0004","14.1896","0.0004","90","","104.87","0.003","90","","1706.13","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 N O2 S2 -","- C23 H13 N O2 S2 -","- C92 H52 N4 O8 S8 -","4","1","","Sarker, Majher I.; Shahrin, Tasnuva; Steinmetz, Mark G.; Timerghazin, Qadir K.","Photochemical electrocyclic ring closure and leaving group expulsion from N-(9-oxothioxanthenyl)benzothiophene carboxamides.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","2","309","322","10.1039/c2pp25051a","","","1.5418","CuKα","","0.0416","0.0341","","","0.0861","0.0918","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514875","9.807","0.002","10.079","0.002","29.603","0.006","90","","90","","90","","2926.1","1","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H27 N7 -","- C36 H27 N7 -","- C144 H108 N28 -","4","1","","Bahrenburg, Julia; Sievers, Claudia M.; Schönborn, Jan Boyke; Hartke, Bernd; Renth, Falk; Temps, Friedrich; Näther, Christian; Sönnichsen, Frank D","Photochemical properties of multi-azobenzene compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","3","511","518","10.1039/c2pp25291k","","","0.71073","MoKα","","0.0464","0.0337","","","0.0782","0.0838","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514876","13.322","0.004","13.735","0.004","14.199","0.004","67.748","0.005","63.947","0.005","64.564","0.005","2049.2","1","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N6 O9 -","- C44 H52 N6 O9 -","- C88 H104 N12 O18 -","2","1","","Farrán, Angeles; Mohanraj, John; Clarkson, Guy J.; Claramunt, Rosa M.; Herranz, Fernando; Accorsi, Gianluca","Tuning photoinduced processes of covalently bound isoalloxazine and anthraquinone bichromophores.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","5","813","822","10.1039/c3pp25321j","","","0.71073","MoKα","","0.1164","0.0653","","","0.1623","0.186","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514877","7.28715","0.00018","29.6837","0.0006","14.4618","0.0004","90","","94.412","0.002","90","","3118.96","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N4 O7 -","- C38 H38 N4 O7 -","- C152 H152 N16 O28 -","4","1","","Farrán, Angeles; Mohanraj, John; Clarkson, Guy J.; Claramunt, Rosa M.; Herranz, Fernando; Accorsi, Gianluca","Tuning photoinduced processes of covalently bound isoalloxazine and anthraquinone bichromophores.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","5","813","822","10.1039/c3pp25321j","","","0.71073","MoKα","","0.0962","0.0674","","","0.162","0.1739","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514878","14.7145","0.0007","15.495","0.0008","15.5967","0.0006","72.967","0.004","77.681","0.004","71.913","0.005","3202.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N4 O7 -","- C38 H38 N4 O7 -","- C152 H152 N16 O28 -","4","2","","Farrán, Angeles; Mohanraj, John; Clarkson, Guy J.; Claramunt, Rosa M.; Herranz, Fernando; Accorsi, Gianluca","Tuning photoinduced processes of covalently bound isoalloxazine and anthraquinone bichromophores.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","5","813","822","10.1039/c3pp25321j","","","1.54184","CuKα","","0.0922","0.0461","","","0.0975","0.1069","","","","","","0.855","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514879","9.9199","0.0004","10.4905","0.0004","13.4316","0.0008","105.687","0.004","101.88","0.005","94.436","0.003","1303.68","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H16.5 N1.5 O9 Tb -","- C19.5 H16.5 N1.5 O9 Tb -","- C39 H33 N3 O18 Tb2 -","2","1","","Wang, Hong-Ming; Yang, Yang-Yi; Zeng, Cheng-Hui; Chu, Tian-Shu; Zhu, Yi-Min; Ng, Seik Weng","A highly luminescent terbium-organic framework for reversible detection of mercury ions in aqueous solution.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","9","1700","1706","10.1039/c3pp50105a","","","0.71073","MoKα","","0.0738","0.0521","","","0.149","0.1734","","","","","","1.065","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1519620","9.7456","0.0001","10.052","0.0001","12.315","0.0002","90","","107.912","0.0003","90","","1147.93","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Navarixin Ethanol Solvate","2-Hydroxy-N,N-dimethyl-3-[(2-{[(1R)-1-(5-methylfuran-2-yl)propyl]amino} -3,4-dioxocyclobut-1-en-1-yl)amino]benzamide ethanol solvate","","- C23 H29 N3 O6 -","- C23 H29 N3 O6 -","- C46 H58 N6 O12 -","2","1","","Maguire, Courtney K.; Brunskill, Andrew P. J.","Assessment of the Stoichiometry of Multicomponent Crystals Using Only X-ray Powder Diffraction Data.","Molecular pharmaceutics","2015","12","6","2061","2067","10.1021/mp5008458","","","1.54178","CuKα","","0.0338","0.0336","","","0.0942","0.0944","","","","","","1.054","","","","has coordinates","141373","2020-10-21","18:00:00",""
"1519621","9.4995","0.0002","9.7624","0.0002","12.7614","0.0003","90","","111.666","0.0006","90","","1099.86","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Navarixin methanol solvate","2-Hydroxy-N,N-dimethyl-3-[(2-{[(1R)-1-(5-methylfuran-2-yl)propyl]amino} -3,4-dioxocyclobut-1-en-1-yl)amino]benzamide methanol solvate","","- C22 H27 N3 O6 -","- C22 H27 N3 O6 -","- C44 H54 N6 O12 -","2","1","","Maguire, Courtney K.; Brunskill, Andrew P. J.","Assessment of the Stoichiometry of Multicomponent Crystals Using Only X-ray Powder Diffraction Data.","Molecular pharmaceutics","2015","12","6","2061","2067","10.1021/mp5008458","","","1.54178","CuKα","","0.0303","0.0299","","","0.085","0.0854","","","","","","1.064","","","","has coordinates","141373","2020-10-21","18:00:00",""
"1520674","31.609","0.003","10.4939","0.0011","9.2829","0.001","90","","96.146","0.002","90","","3061.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 N3 Na O10 Re S -","- C28 H33 N3 Na O10 Re S -","- C112 H132 N12 Na4 O40 Re4 S4 -","4","1","","Jia, Jianhua; Cui, Mengchao; Dai, Jiapei; Liu, Boli","(99m)Tc(CO)3-Labeled Benzothiazole Derivatives Preferentially Bind Cerebrovascular Amyloid: Potential Use as Imaging Agents for Cerebral Amyloid Angiopathy.","Molecular pharmaceutics","2015","12","8","2937","2946","10.1021/acs.molpharmaceut.5b00209","","","0.71073","MoKα","","0.051","0.045","","","0.1016","0.1045","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520723","13.212","0.002","9.1505","0.0015","18.16","0.003","90","","105.195","0.011","90","","2118.7","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Dihydrate","","- C22 H29 N3 O5 -","- C22 H29 N3 O5 -","- C88 H116 N12 O20 -","4","1","","Braun, Doris E.; Koztecki, Lien H.; McMahon, Jennifer A.; Price, Sarah L.; Reutzel-Edens, Susan M","Navigating the Waters of Unconventional Crystalline Hydrates.","Molecular pharmaceutics","2015","12","8","3069","3088","10.1021/acs.molpharmaceut.5b00357","","x-ray","1.54178","CuKα","","0.0796","0.0529","","","0.1271","0.1389","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520724","26.498","0.003","9.6469","0.0008","20.342","0.003","90","","128.706","0.004","90","","4057.8","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Hydrate A 1.73","","- C22 H28.46 N3 O4.73 -","- C22 H28.2375 N3 O4.732 -","- C176 H225.9 N24 O37.856 -","8","1","","Braun, Doris E.; Koztecki, Lien H.; McMahon, Jennifer A.; Price, Sarah L.; Reutzel-Edens, Susan M","Navigating the Waters of Unconventional Crystalline Hydrates.","Molecular pharmaceutics","2015","12","8","3069","3088","10.1021/acs.molpharmaceut.5b00357","","x-ray","0.71073","MoKα","","0.0994","0.0544","","","0.1281","0.1493","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520725","26.663","0.007","9.634","0.002","20.863","0.009","90","","128.322","0.006","90","","4204","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Hydrate A 1.95","","- C22 H28.9 N3 O4.95 -","- C22 H28.947 N3 O4.948 -","- C176 H231.576 N24 O39.584 -","8","1","","Braun, Doris E.; Koztecki, Lien H.; McMahon, Jennifer A.; Price, Sarah L.; Reutzel-Edens, Susan M","Navigating the Waters of Unconventional Crystalline Hydrates.","Molecular pharmaceutics","2015","12","8","3069","3088","10.1021/acs.molpharmaceut.5b00357","","x-ray","0.71073","MoKα","","0.1056","0.0499","","","0.0978","0.1217","","","","","","1.002","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521052","3.987","","3.987","","9.672","","90","","90","","90","","153.748","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ca Ni2 Si2 -","- Ca Ni2 Si2 -","- Ca2 Ni4 Si4 -","2","0.0625","","Gavoille, G.; Hansen, N.K.; Welter, R.; Krane, H.G.; Malaman, B.; Herzig, P.","Electron density of Ca Ni2 Si2 studied using synchrotron X-ray diffraction and first-principles calculations","Journal of Physics: Condensed Matter","2000","12","","2667","2679","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521105","5.5235","","5.5235","","13.398","","90","","90","","120","","353.997","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.7 Pb0.3) (Mn0.9 Fe0.1) O3","","- Fe0.1 La0.7 Mn0.9 O3 Pb0.3 -","- Fe0.1 La0.7 Mn0.9 O3 Pb0.3 -","- Fe0.6 La4.2 Mn5.4 O18 Pb1.8 -","6","0.166667","","Gutierrez, J.; Pena, A.; Barandiaran, J.M.; Pizarro, J.L.; Lezama, L.; Insausti, M.; Rojo, T.","Structural, magnetic and magnetotransport properties of La0.7 Pb0.3 Mn0.9 TM0.1 O3 (TM = Fe, Co, Ni) CMR perovskites","Journal of Physics: Condensed Matter","2000","12","","10523","10534","","","","","","","","","","","","","","","","","","","","","","has coordinates","140748","2020-10-21","18:00:00",""
"1521106","5.492","","5.492","","13.331","","90","","90","","120","","348.221","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","(La0.7 Pb0.3) (Mn0.9 Ni0.1) O3","","- La0.7 Mn0.9 Ni0.1 O3 Pb0.3 -","- La0.7 Mn0.9 Ni0.1 O3 Pb0.3 -","- La4.2 Mn5.4 Ni0.6 O18 Pb1.8 -","6","0.166667","","Gutierrez, J.; Barandiaran, J.M.; Pena, A.; Rojo, T.; Pizarro, J.L.; Insausti, M.; Lezama, L.","Structural, magnetic and magnetotransport properties of La0.7 Pb0.3Mn0.9 TM0.1 O3 (TM = Fe, Co, Ni) CMR perovskites","Journal of Physics: Condensed Matter","2000","12","","10523","10534","","","","","","","","","","","","","","","","","","","","","","has coordinates","140749","2020-10-21","18:00:00",""
"1521115","5.8341","","5.8436","","8.2559","","90","","90.195","","90","","281.46","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 (Ce Ir O6)","","- Ce Ir O6 Sr2 -","- Ce Ir O6 Sr2 -","- Ce2 Ir2 O12 Sr4 -","2","0.5","","Harada, D.; Hinatsu, Y.; Wakeshima, M.; Ohoyama, K.; Yamaguchi, Y.","Magnetic and neutron diffraction study on iridium(IV) perovskites Sr2 Ln Ir O6 (Ln = Ce, Tb)","Journal of Physics: Condensed Matter","2000","12","","3229","3239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521116","5.7604","","5.7506","","8.1371","","90","","90.089","","90","","269.547","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 (Tb Ir O6)","","- Ir O6 Sr2 Tb -","- Ir O6 Sr2 Tb -","- Ir2 O12 Sr4 Tb2 -","2","0.5","","Harada, D.; Wakeshima, M.; Hinatsu, Y.; Ohoyama, K.; Yamaguchi, Y.","Magnetic and neutron diffraction study on iridium(IV) perovskites Sr2 Ln Ir O6 (Ln = Ce, Tb)","Journal of Physics: Condensed Matter","2000","12","","3229","3239","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521125","12.018","","12.565","","6.415","","90","","114.33","","90","","882.672","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Na1.304 Mn0.968 Fe1.9 (P2.842 O11.86)","","- Fe1.9 Mn0.968 Na1.304 O11.86 P2.842 -","- Fe1.9 Mn0.968 Na1.304 O11.86 P2.842 -","- Fe7.6 Mn3.872 Na5.216 O47.44 P11.368 -","4","0.5","","Hatert, F.; Keller, P.; Lissner, F.; Antenucci, D.; Fransolet, A.M.","First experimental evidence of alluaudite-like phosphates with high Li-content: the (Na1-x Lix) Mn Fe2 (P O4)3 series (x=0 to 1)","European Journal of Mineralogy (1,1989-)","2000","12","","847","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","140772","2020-10-21","18:00:00",""
"1521126","5.442","","5.4538","","7.6792","","90","","90","","90","","227.915","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(La0.6 Ca0.4) Mn O3","","- Ca0.4 La0.6 Mn O3 -","- Ca0.4 La0.6 Mn O3 -","- Ca1.6 La2.4 Mn4 O12 -","4","0.5","","Ganguly, R.; Siruguri, V.; Gopalakrishnan, I.K.; Yakhmi, J.V.","Stability of the layered Sr3 Ti2 O7 structure in La1.2 (Sr1-x Cax)1.8 Mn2 O7","Journal of Physics: Condensed Matter","2000","12","","1683","1689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521127","11.988","","12.5","","6.392","","90","","114.67","","90","","870.416","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Na0.712 Li0.508 Mn0.908 Fe1.8 (P2.732 O11.4)","","- Fe1.8 Li0.508 Mn0.908 Na0.712 O11.4 P2.732 -","- Fe1.8 Li0.508 Mn0.908 Na0.712 O11.4 P2.732 -","- Fe7.2 Li2.032 Mn3.632 Na2.848 O45.6 P10.928 -","4","0.5","","Hatert, F.; Keller, P.; Lissner, F.; Antenucci, D.; Fransolet, A.M.","First experimental evidence of alluaudite-like phosphates with high Li-content: the (Na1-x Lix) Mn Fe2 (P O4)3 series (x=0 to 1)","European Journal of Mineralogy (1,1989-)","2000","12","","847","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","140774","2020-10-21","18:00:00",""
"1521175","5.3504","","5.3504","","13.0474","","90","","90","","120","","323.465","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Pr (Al O3)","","- Al O3 Pr -","- Al O3 Pr -","- Al6 O18 Pr6 -","6","0.166667","","Howard, C.J.; Kennedy, B.J.; Chakoumakos, B.C.","Neutron powder diffraction study of rhombohedral rare-earth aluminates and the rhombohedral to cubic phase transition","Journal of Physics: Condensed Matter","2000","12","","349","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521178","5.3391","","5.3391","","12.9958","","90","","90","","120","","320.826","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Nd (Al O3)","","- Al Nd O3 -","- Al Nd O3 -","- Al6 Nd6 O18 -","6","0.166667","","Howard, C.J.; Chakoumakos, B.C.; Kennedy, B.J.","Neutron powder diffraction study of rhombohedral rare-earth aluminates and the rhombohedral to cubic phase transition","Journal of Physics: Condensed Matter","2000","12","","349","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521190","5.3598","","5.3598","","13.0859","","90","","90","","120","","325.56","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","La (Al O3)","","- Al La O3 -","- Al La O3 -","- Al6 La6 O18 -","6","0.166667","","Howard, C.J.; Kennedy, B.J.; Chakoumakos, B.C.","Neutron powder diffraction study of rhombohedral rare-earth aluminates and the rhombohedral to cubic phase transition","Journal of Physics: Condensed Matter","2000","12","","349","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521195","3.8116","","3.8116","","3.8116","","90","","90","","90","","55.376","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","La (Al O3)","","- Al La O3 -","- Al La O3 -","- Al La O3 -","1","0.0208333","","Howard, C.J.; Kennedy, B.J.; Chakoumakos, B.C.","Neutron powder diffraction study of rhombohedral rare-earth aluminates and the rhombohedral to cubic phase transition","Journal of Physics: Condensed Matter","2000","12","","349","365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521252","4.0123","","4.0123","","4.0123","","89.98","","89.98","","89.98","","64.592","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","Pb ((Fe Nb) O6)0.5","","- Fe0.5 Nb0.5 O3 Pb -","- Fe0.5 Nb0.5 O3 Pb -","- Fe0.5 Nb0.5 O3 Pb -","1","0.166667","","Ivanov, S.A.; Tellgren, R.; Thomas, N.W.; Rundlof, H.; Ananta, S.","Investigation of the structure of the relaxor ferroelectric Pb (Fe1/2 Nb1/2) O3 by neutron diffraction","Journal of Physics: Condensed Matter","2000","12","","2393","2400","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521315","13.601","","18.232","","17.81","","90","","90","","90","","4416.41","","","","","","","","","","","","","7","F m m m","-F 2 2","69","","Na0.41 Ca0.63 (N D4)12.8 (Al13.68 Si58.32 O144) (D2 O)36.16","","- Al13.68 Ca0.63 D123.52 N12.8 Na0.41 O180.16 Si58.32 -","- Al13.68 Ca0.632 N12.8 Na0.408 O180.16 Si58.32 -","- Al13.68 Ca0.632 N12.8 Na0.408 O180.16 Si58.32 -","1","0.03125","","Meneghinello, E.; Alberti, A.; Cruciani, G.; Rapacciuolo, M.T.; Sacerdoti, M.; Ciambelli, P.; McIntyre, G.J.","Single crystal neutron diffraction study of the natural zeolite barrerite in its (N D4) - exchanged form","European Journal of Mineralogy (1,1989-)","2000","12","","1123","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521364","3.8665","","3.8665","","12.0802","","90","","90","","90","","180.597","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(Hg0.62 Mo0.38) Sr2 (Sr0.45 La0.55) Cu2 O6.93","","- Cu2 Hg0.62 La0.55 Mo0.38 O6.93 Sr2.45 -","- Cu2 Hg0.62 La0.55 Mo0.38 O6.928 Sr2.45 -","- Cu2 Hg0.62 La0.55 Mo0.38 O6.928 Sr2.45 -","1","0.0625","","Kandyel, E.","Studies on (Hg0.7 Mo0.3) Sr2 (Sr1-x Lax)Cu2 Oz with a wide range of doping state","Journal of Superconductivity","1999","12","","403","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","141573","2020-10-21","18:00:00",""
"1521366","3.815","","3.815","","15.255","","90","","90","","90","","222.025","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(Hg0.7 Bi0.3) Sr2 (Ca0.87 Sr0.13)2 Cu3 O8.91","","- Bi0.3 Ca1.74 Cu3 Hg0.7 O8.91 Sr2.26 -","- Bi0.3 Ca1.74 Cu3 Hg0.7 O8.91 Sr2.26 -","- Bi0.3 Ca1.74 Cu3 Hg0.7 O8.91 Sr2.26 -","1","0.0625","","Kandyel, E.; Adachi, S.; Wu, X.-J.; Tajima, S.","Structural and superconducting properties of (Hg~0.7~Bi~0.3~)Sr~2~Ca~n-1~Cu~n~O~x~ (n = 3,4) superconductors synthesized under high pressure","Superconductor Science and Technology","1999","12","12","1168","1174","10.1088/0953-2048/12/12/329","","","","","","","","","","","","","","","","","","","","","has coordinates","206900","2020-10-21","18:00:00",""
"1521367","3.82","","3.82","","18.27","","90","","90","","90","","266.603","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(Hg0.7 Bi0.3) Sr2 Ca3 Cu4 O10.74","","- Bi0.3 Ca3 Cu4 Hg0.7 O10.74 Sr2 -","- Bi0.3 Ca3 Cu4 Hg0.7 O10.74 Sr2 -","- Bi0.3 Ca3 Cu4 Hg0.7 O10.74 Sr2 -","1","0.0625","","Kandyel, E.; Adachi, S.; Wu, X.-J.; Tajima, S.","Structural and superconducting properties of (Hg~0.7~Bi~0.3~)Sr~2~Ca~n-1~Cu~n~O~x~ (n = 3,4) superconductors synthesized under high pressure","Superconductor Science and Technology","1999","12","12","1168","1174","10.1088/0953-2048/12/12/329","","","","","","","","","","","","","","","","","","","","","has coordinates","206900","2020-10-21","18:00:00",""
"1521371","5.7955","","5.7955","","11.6464","","90","","90","","90","","391.177","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu0.978 In Se1.988 -","- Cu0.9776 In Se1.988 -","- Cu3.9104 In4 Se7.952 -","4","0.25","","Kaplan, L.; Leitus, G.; Lyakhovitskaya, V.; Frolow, F.; Hallak, H.; Kvick, A.; Cahen, D.","Synchrotron X-ray diffraction evidence for native defects in the photovoltaic semiconductor Cu In Se2","Advanced Materials","2000","12","5","366","370","10.1002/(SICI)1521-4095(200003)12:5<366::AID-ADMA366>3.0.CO;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521373","5.7877","","5.7877","","11.6274","","90","","90","","90","","389.488","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cu0.974 In Se1.989 -","- Cu0.974 In Se1.9892 -","- Cu3.896 In4 Se7.9568 -","4","0.25","","Kaplan, L.; Leitus, G.; Lyakhovitskaya, V.; Frolow, F.; Hallak, H.; Kvick, A.; Cahen, D.","Synchrotron X-ray diffraction evidence for native defects in the photovoltaic semiconductor Cu In Se2","Advanced Materials","2000","12","5","366","370","10.1002/(SICI)1521-4095(200003)12:5<366::AID-ADMA366>3.0.CO;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521461","3.9104","","3.9104","","11.6839","","90","","90","","90","","178.661","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","(Ba1.5 La0.5) La Cu3 O7.035","","- Ba1.5 Cu3 La1.5 O7.035 -","- Ba1.5 Cu3 La1.5 O7.035 -","- Ba1.5 Cu3 La1.5 O7.035 -","1","0.0625","","Kulkarni, R. G.; Subbarao, M. V.","X-ray structural studies of the superconducting La~3.5-x-y~Nd~y~Ca~2x~Ba~3.5-x~Cu~7~O~z~","Superconductor Science and Technology","1999","12","3","172","176","10.1088/0953-2048/12/3/012","","","","","","","","","","","","","","","","","","","","","has coordinates","206901","2020-10-21","18:00:00",""
"1521462","3.9034","","3.9034","","11.67","","90","","90","","90","","177.81","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(Ba1.46 La0.54) (La0.87 Nd0.04 Ca0.09) Cu3 O7.04","","- Ba1.46 Ca0.09 Cu3 La1.41 Nd0.04 O7.04 -","- Ba1.46 Ca0.09 Cu3 La1.41 Nd0.04 O7.04 -","- Ba1.46 Ca0.09 Cu3 La1.41 Nd0.04 O7.04 -","1","0.0625","","Kulkarni, R. G.; Subbarao, M. V.","X-ray structural studies of the superconducting La~3.5-x-y~Nd~y~Ca~2x~Ba~3.5-x~Cu~7~O~z~","Superconductor Science and Technology","1999","12","3","172","176","10.1088/0953-2048/12/3/012","","","","","","","","","","","","","","","","","","","","","has coordinates","206901","2020-10-21","18:00:00",""
"1521463","3.8941","","3.8941","","11.6589","","90","","90","","90","","176.796","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(Ba1.41 La0.59) (La0.74 Nd0.09 Ca0.17) Cu3 O7.053","","- Ba1.41 Ca0.17 Cu3 La1.33 Nd0.09 O7.053 -","- Ba1.41 Ca0.17 Cu3 La1.33 Nd0.09 O7.053 -","- Ba1.41 Ca0.17 Cu3 La1.33 Nd0.09 O7.053 -","1","0.0625","","Kulkarni, R. G.; Subbarao, M. V.","X-ray structural studies of the superconducting La~3.5-x-y~Nd~y~Ca~2x~Ba~3.5-x~Cu~7~O~z~","Superconductor Science and Technology","1999","12","3","172","176","10.1088/0953-2048/12/3/012","","","","","","","","","","","","","","","","","","","","","has coordinates","206901","2020-10-21","18:00:00",""
"1521464","3.8866","","3.8866","","11.6511","","90","","90","","90","","175.998","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(Ba1.37 La0.60 Ca0.03) (La0.65 Nd0.13 Ca0.22) Cu3 O7.069","","- Ba1.37 Ca0.25 Cu3 La1.25 Nd0.13 O7.069 -","- Ba1.37 Ca0.25 Cu3 La1.25 Nd0.13 O7.069 -","- Ba1.37 Ca0.25 Cu3 La1.25 Nd0.13 O7.069 -","1","0.0625","","Kulkarni, R. G.; Subbarao, M. V.","X-ray structural studies of the superconducting La~3.5-x-y~Nd~y~Ca~2x~Ba~3.5-x~Cu~7~O~z~","Superconductor Science and Technology","1999","12","3","172","176","10.1088/0953-2048/12/3/012","","","","","","","","","","","","","","","","","","","","","has coordinates","206901","2020-10-21","18:00:00",""
"1521465","3.8734","","3.8734","","11.6232","","90","","90","","90","","174.386","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(Ba1.33 La0.64 Ca0.03) (La0.52 Nd0.17 Ca0.31) Cu3 O7.078","","- Ba1.33 Ca0.34 Cu3 La1.16 Nd0.17 O7.078 -","- Ba1.33 Ca0.34 Cu3 La1.16 Nd0.17 O7.078 -","- Ba1.33 Ca0.34 Cu3 La1.16 Nd0.17 O7.078 -","1","0.0625","","Kulkarni, R. G.; Subbarao, M. V.","X-ray structural studies of the superconducting La~3.5-x-y~Nd~y~Ca~2x~Ba~3.5-x~Cu~7~O~z~","Superconductor Science and Technology","1999","12","3","172","176","10.1088/0953-2048/12/3/012","","","","","","","","","","","","","","","","","","","","","has coordinates","206901","2020-10-21","18:00:00",""
"1521466","3.866","","3.866","","11.6222","","90","","90","","90","","173.705","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(Ba1.29 La0.64 Ca0.07) (La0.43 Nd0.21 Ca0.36) Cu3 O7.083","","- Ba1.29 Ca0.43 Cu3 La1.07 Nd0.21 O7.083 -","- Ba1.29 Ca0.43 Cu3 La1.07 Nd0.21 O7.083 -","- Ba1.29 Ca0.43 Cu3 La1.07 Nd0.21 O7.083 -","1","0.0625","","Kulkarni, R. G.; Subbarao, M. V.","X-ray structural studies of the superconducting La~3.5-x-y~Nd~y~Ca~2x~Ba~3.5-x~Cu~7~O~z~","Superconductor Science and Technology","1999","12","3","172","176","10.1088/0953-2048/12/3/012","","","","","","","","","","","","","","","","","","","","","has coordinates","206901","2020-10-21","18:00:00",""
"1521467","3.8615","","3.8615","","11.6124","","90","","90","","90","","173.155","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","(Ba1.24 La0.59 Ca0.17) (La0.40 Nd0.26 Ca0.34) Cu3 O7.085","","- Ba1.24 Ca0.51 Cu3 La0.99 Nd0.26 O7.085 -","- Ba1.24 Ca0.51 Cu3 La0.99 Nd0.26 O7.085 -","- Ba1.24 Ca0.51 Cu3 La0.99 Nd0.26 O7.085 -","1","0.0625","","Kulkarni, R. G.; Subbarao, M. V.","X-ray structural studies of the superconducting La~3.5-x-y~Nd~y~Ca~2x~Ba~3.5-x~Cu~7~O~z~","Superconductor Science and Technology","1999","12","3","172","176","10.1088/0953-2048/12/3/012","","","","","","","","","","","","","","","","","","","","","has coordinates","206901","2020-10-21","18:00:00",""
"1521481","4.0097","","4.0097","","4.0097","","90","","90","","90","","64.467","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Pb ((Fe Ta) O6)0.5","","- Fe0.5 O3 Pb Ta0.5 -","- Fe0.5 O3 Pb0.9996 Ta0.5 -","- Fe0.5 O3 Pb0.9996 Ta0.5 -","1","0.0208333","","Lampis, N.; Geddo Lehmann, A.; Sciau, P.","Rietveld refinement of the paraelectric and ferroelectric structures of Pb Fe0.5 Ta0.5 O3","Journal of Physics: Condensed Matter","2000","12","","2367","2378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521482","5.6687","","5.661","","4.0083","","90","","89.853","","90","","128.628","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb (Fe0.5 Ta0.5) O3","","- Fe0.5 O3 Pb Ta0.5 -","- Fe0.5 O3 Pb Ta0.5 -","- Fe O6 Pb2 Ta -","2","0.5","","Lampis, N.; Sciau, P.; Geddo Lehmann, A.","Rietveld refinement of the paraelectric and ferroelectric structures of Pb Fe0.5 Ta0.5 O3","Journal of Physics: Condensed Matter","2000","12","","2367","2378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521693","10.08029","","5.87311","","14.86206","","90","","103.617","","90","","855.141","","","","","","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","K3 D (Se O4)2","","- D K3 O8 Se2 -","- D K3 O8 Se2 -","- D4 K12 O32 Se8 -","4","0.5","","Onoda-Yamamuro, N.; Yamamuro, O.; Matsuo, T.; Ichikawa, M.; Ibberson, R.M.; David, W.I.F.","Neutron diffraction study on hydrogen bond structure in K3 H (Se O4)2 and K3 D (Se O4)2 crystals","Journal of Physics: Condensed Matter","2000","12","","8559","8565","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521745","5.7644","","5.7644","","7.0859","","90","","90","","120","","203.908","","","","","","","","","","","","","4","R 3 m :H","R 3 -2""","160","","Pb (Sc0.48 Nb0.52) O3","","- Nb0.52 O3 Pb Sc0.48 -","- Nb0.52 O3 Pb Sc0.48 -","- Nb1.56 O9 Pb3 Sc1.44 -","3","0.166667","","Perrin, C.; Menguy, N.; Suard, E.; Muller, C.; Caranoni, C.; Stepanov, A.","Neutron diffraction study of the relaxor-ferroelectric phase transition in disordered Pb (Sc1/2 Nb1/2) O3","Journal of Physics: Condensed Matter","2000","12","","7523","7539","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521746","4.0823","","4.0823","","4.0823","","90","","90","","90","","68.032","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Pb (Sc0.48 Nb0.52) O3","","- Nb0.52 O3 Pb Sc0.48 -","- Nb0.52 O3 Pb Sc0.48 -","- Nb0.52 O3 Pb Sc0.48 -","1","0.0208333","","Perrin, C.; Stepanov, A.; Menguy, N.; Muller, C.; Suard, E.; Caranoni, C.","Neutron diffraction study of the relaxor-ferroelectric phase transition in disordered Pb (Sc1/2 Nb1/2) O3","Journal of Physics: Condensed Matter","2000","12","","7523","7539","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521843","8.0121","","8.0121","","8.0121","","90","","90","","90","","514.327","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ba2 Fe0.92 Mo0.93 O5.69 -","- Ba2 Fe0.92 Mo0.93 O5.6898 -","- Ba8 Fe3.68 Mo3.72 O22.7592 -","4","0.0208333","","Ritter, C.; Ibarra, M.R.; Morellon, L.; Blasco, J.; Garcia, J.; de Teresa, J.M.","Structural and magnetic properties of double perovskites A A' Fe Mo O6 (AA' = Ba2, BaSr, Sr2, Ca)","Journal of Physics: Condensed Matter","2000","12","","8295","8308","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521844","7.9272","","7.9272","","7.9272","","90","","90","","90","","498.149","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba Sr Fe0.95 Mo0.97 O5.84","","- Ba Fe0.95 Mo0.97 O5.84 Sr -","- Ba Fe0.95 Mo0.97 O5.838 Sr -","- Ba4 Fe3.8 Mo3.88 O23.352 Sr4 -","4","0.0208333","","Ritter, C.; de Teresa, J.M.; Morellon, L.; Ibarra, M.R.; Blasco, J.; Garcia, J.","Structural and magnetic properties of double perovskites A A' Fe Mo O6 (AA' = Ba2, BaSr, Sr2, Ca)","Journal of Physics: Condensed Matter","2000","12","","8295","8308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521845","5.4277","","5.5221","","7.7248","","90","","90.015","","90","","231.53","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ca2 (Fe0.94 Mo0.06) Mo O6.00","","- Ca2 Fe0.94 Mo1.06 O6 -","- Ca2 Fe0.94 Mo1.06 O6 -","- Ca4 Fe1.88 Mo2.12 O12 -","2","0.5","","Ritter, C.; Ibarra, M.R.; Morellon, L.; Blasco, J.; Garcia, J.; de Teresa, J.M.","Structural and magnetic properties of double perovskites A A' Fe Mo O6 (AA' = Ba2, BaSr, Sr2, Ca)","Journal of Physics: Condensed Matter","2000","12","","8295","8308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521846","5.5741","","5.5741","","7.9243","","90","","90","","90","","246.213","","","","","","","","","","","","","4","P 42/m","-P 4c","84","","Sr2 Fe0.97 Mo0.94 O5.81","","- Fe0.97 Mo0.94 O5.81 Sr2 -","- Fe0.97 Mo0.94 O5.808 Sr2 -","- Fe1.94 Mo1.88 O11.616 Sr4 -","2","0.25","","Ritter, C.; Ibarra, M.R.; Garcia, J.; Morellon, L.; Blasco, J.; de Teresa, J.M.","Structural and magnetic properties of double perovskites A A' Fe Mo O6 (AA' = Ba2, BaSr, Sr2, Ca)","Journal of Physics: Condensed Matter","2000","12","","8295","8308","","","","","","","","","","","","","","","","","","","","","","has coordinates","142062","2020-10-21","18:00:00",""
"1521847","7.91904","","7.91904","","7.91904","","90","","90","","90","","496.612","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 Fe0.97 Mo0.94 O5.81","","- Fe0.97 Mo0.94 O5.81 Sr2 -","- Fe0.97 Mo0.94 O5.808 Sr2 -","- Fe3.88 Mo3.76 O23.232 Sr8 -","4","0.0208333","","Ritter, C.; de Teresa, J.M.; Ibarra, M.R.; Morellon, L.; Garcia, J.; Blasco, J.","Structural and magnetic properties of double perovskites A A' Fe Mo O6 (AA' = Ba2, BaSr, Sr2, Ca)","Journal of Physics: Condensed Matter","2000","12","","8295","8308","","","","","","","","","","","","","","","","","","","","","","has coordinates","142063","2020-10-21","18:00:00",""
"1521885","10.06","","10.06","","10.06","","90","","90","","90","","1018.11","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Ni (N D3)6) Cl2","","- Cl2 D18 N6 Ni -","- Cl2 D18 N6 Ni -","- Cl8 D72 N24 Ni4 -","4","0.0208333","","Schiebel, P.; Kearley, G.J.; Burger, K.; Lehmann, M.; Buettner, H.G.; Prandl, W.","(N D3)-density distribution in orientationally disordered Ni (N D3)6 Cl2 observed by means of neutron Laue diffraction","Journal of Physics: Condensed Matter","2000","12","","8567","8576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521951","5.211","","5.211","","29.689","","90","","90","","120","","698.182","","","","","","","","","","","","","8","P 31 1 2","P 31 2 (0 0 4)","151","","K (Al1.21 Mg0.75 Fe0.04) (Al0.19 Si3.81) O10 ((O H)1.2 F0.8)","","- Al1.4 F0.8 Fe0.04 H1.2 K Mg0.75 O11.2 Si3.81 -","- Al1.402 F0.8 Fe0.04 H1.2 K1.001 Mg0.75 O11.2 Si3.808 -","- Al4.206 F2.4 Fe0.12 H3.6 K3.003 Mg2.25 O33.6 Si11.424 -","3","0.5","","Smyth, J.R.; Jacobsen, S.D.; Domanik, K.; Swope, R.J.; Arlt, T.; Angel, R.J.; Holloway, J.R.","Crystal structures and compressibilities of synthetic 2M1 and 3T phengite micas","European Journal of Mineralogy (1,1989-)","2000","12","","955","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522000","28.19699","","28.23499","","28.16089","","90","","90","","90","","22420.1","","","","","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","Sm2.75 C60","","- C60 Sm2.75 -","- C60 Sm2.75 -","- C1920 Sm88 -","32","4","","Sun, Z.; Chen, X.H.; Takenobu, T.; Iwasa, Y.","Structure and Raman behaviour of Sm2.75 C60","Journal of Physics: Condensed Matter","2000","12","","8919","8926","","","","","","","","","","","","","","","","","","","","","","has coordinates","142219","2020-10-21","18:00:00",""
"1522050","3.90362","","3.90362","","7.60938","","90","","90","","90","","115.954","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Nd Ba Co2 O5.76","","- Ba Co2 Nd O5.76 -","- Ba Co2 Nd O5.756 -","- Ba Co2 Nd O5.756 -","1","0.0625","","Troyanchuk, I.O.; Solovykh, T.K.; Khalyavin, D.D.; Szymczak, H.; Huang, Q.; Lynn, J.W.","Magnetic and crystal structure phase transitions in R1-x Bax Co O3-y (R = Nd, Gd)","Journal of Physics: Condensed Matter","2000","12","","2485","2493","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522276","11.642","","11.642","","11.642","","90","","90","","90","","1577.91","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Nb5 Ni -","- Nb5 Ni -","- Nb80 Ni16 -","16","0.0833333","","Kripyakevich, P.I.; Pylaeva, E.N.","Crystalline structures of some compounds in the Nb-Ni and Ta-Ni systems","Kristallografiya","1967","12","","350","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522278","3.16","","3.16","","7.95","","90","","90","","90","","79.386","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ni2 Ta -","- Ni2 Ta -","- Ni4 Ta2 -","2","0.0625","","Kripyakevich, P.I.; Pylaeva, E.N.","Crystal structure of some compounds in the Nb-Ni and Ta-Ni systems","Kristallografiya","1967","12","","350","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522800","3.9049","","3.9049","","3.9049","","90","","90","","90","","59.543","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Os0.2 Pt0.8)","","- Os0.2 Pt0.8 -","- Os0.2 Pt0.8 -","- Os0.8 Pt3.2 -","4","0.0208333","","Rudman, P.S.","Lattice parameters of some h.c.p. binary alloys of rhenium and osmium. Re-W, Re-Ir, Re-Pt, Os-Ir, Os-Pt","Journal of the Less-Common Metals","1967","12","","79","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","143083","2020-10-21","18:00:00",""
"1522801","2.7361","","2.7361","","4.3247","","90","","90","","120","","28.038","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Os0.9 Pt0.1)","","- Os0.9 Pt0.1 -","- Os0.9 Pt0.1 -","- Os1.8 Pt0.2 -","2","0.0833333","","Rudman, P.S.","Lattice parameters of some h.c.p. binary alloys of rhenium and osmium. Re-W, Re-Ir, Re-Pt, Os-Ir, Os-Pt","Journal of the Less-Common Metals","1967","12","","79","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","143084","2020-10-21","18:00:00",""
"1522802","3.8358","","3.8358","","3.8358","","90","","90","","90","","56.438","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ir0.8 Os0.2)","","- Ir0.8 Os0.2 -","- Ir0.8 Os0.2 -","- Ir3.2 Os0.8 -","4","0.0208333","","Rudman, P.S.","Lattice parameters of some hcp binary alloys of rhenium and osmium: Re-W, Re-Ir, Re-Pt; Os-Ir, Os-Pt","Journal of the Less-Common Metals","1967","12","","79","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","143085","2020-10-21","18:00:00",""
"1522803","2.7361","","2.7361","","4.3417","","90","","90","","120","","28.148","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ir0.35 Os0.65)","","- Ir0.35 Os0.65 -","- Ir0.35 Os0.65 -","- Ir0.7 Os1.3 -","2","0.0833333","","Rudman, P.S.","Lattice parameters of some hcp binary alloys of rhenium and osmium: Re-W, Re-Ir, Re-Pt; Os-Ir, Os-Pt","Journal of the Less-Common Metals","1967","12","","79","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","143086","2020-10-21","18:00:00",""
"1522804","2.7545","","2.7545","","4.3739","","90","","90","","120","","28.74","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ir0.4 Re0.6)","","- Ir0.4 Re0.6 -","- Ir0.4 Re0.6 -","- Ir0.8 Re1.2 -","2","0.0833333","","Rudman, P.S.","Lattice parameters of some hcp binary alloys of rhenium and osmium: Re-W, Re-Ir, Re-Pt; Os-Ir, Os-Pt","Journal of the Less-Common Metals","1967","12","","79","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","143087","2020-10-21","18:00:00",""
"1523206","4.929","","4.929","","3.999","","90","","90","","120","","84.139","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni5 Th -","- Ni5 Th -","- Ni5 Th -","1","0.0416667","","Ban, Z.; Sikirica, M.; Raseta, R.","X-ray studies in the system Th Ni5-x Alx","Journal of the Less-Common Metals","1967","12","","478","482","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523300","3.954","","3.954","","3.954","","90","","90","","90","","61.817","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt3 Sc -","- Pt3 Sc -","- Pt3 Sc -","1","0.0208333","","Bronger, W.","Preparation and X-ray investigation of platinum alloys with the rare earth metals (Pt5 Ln and Pt3 Ln phases)","Journal of the Less-Common Metals","1967","12","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523534","3.32","","3.32","","4.033","","90","","90","","90","","44.453","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","(Ga Pu)","","- Ga Pu -","- Ga Pu -","- Ga Pu -","1","0.03125","","Ellinger, F.H.; Land, C.C.; Struebing, V.O.","The plutonium-gallium system","Journal of Nuclear Materials","1964","12","","226","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523535","4.469","","4.469","","4.527","","90","","90","","90","","90.413","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Ga Pu3 -","- Ga Pu3 -","- Ga Pu3 -","1","0.0625","","Ellinger, F.H.; Land, C.C.; Struebing, V.O.","The plutonium-gallium system","Journal of Nuclear Materials","1964","12","","226","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523536","4.5551","","4.5551","","4.5551","","90","","90","","90","","94.513","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ga0.099 Pu0.901)","","- Ga0.099 Pu0.901 -","- Ga0.099 Pu0.901 -","- Ga0.396 Pu3.604 -","4","0.0208333","","Ellinger, F.H.; Land, C.C.; Struebing, V.O.","The plutonium-gallium system","Journal of Nuclear Materials","1964","12","","226","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","144154","2020-10-21","18:00:00",""
"1523537","4.248","","4.248","","4.12","","90","","90","","120","","64.387","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ga2 Pu -","- Ga2 Pu -","- Ga2 Pu -","1","0.0416667","","Ellinger, F.H.; Land, C.C.; Struebing, V.O.","The plutonium-gallium system","Journal of Nuclear Materials","1964","12","","226","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523776","5.72","","5.72","","3.564","","90","","90","","90","","116.608","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Mo Ni4 -","- Mo Ni4 -","- Mo2 Ni8 -","2","0.125","","Harker, D.","The crystal structure of Ni4 Mo","Journal of Applied Physics","1944","12","","315","317","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523873","8.994","","8.994","","13.169","","90","","90","","120","","922.548","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Gd2 Zn17 -","- Gd2 Zn17 -","- Gd6 Zn51 -","3","0.0833333","","Iandelli, A.; Palenzona, A.","Zinc-rich phases of the rare-earth-zinc alloys","Journal of the Less-Common Metals","1967","12","","333","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523981","8.712","","3.845","","14.15","","90","","90","","90","","473.992","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","K Fe Cl3","Javorieite","- Cl3 Fe K -","- Cl3 Fe K -","- Cl12 Fe4 K4 -","4","0.5","","Amit, M.; Makovsky, J.; Horowitz, A.","Preparation and crystal structure of K Fe Cl3 and K Fe Br3","Israel Journal of Chemistry","1974","12","","827","830","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:46",""
"1524096","5.31","","5.31","","14.25","","90","","90","","120","","347.964","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Tl Sb O3","","- O3 Sb Tl -","- O3 Sb Tl -","- O12 Sb4 Tl4 -","4","0.333333","","Bouchama, M.; Tournoux, M.","Polytypisme de Tl Sb O3","Revue de Chimie Minerale","1975","12","","80","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524243","6.209","","6.209","","29.98999","","90","","90","","120","","1001.27","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Cs2 Mn (Ni F6)","","- Cs2 F6 Mn Ni -","- Cs2 F6 Mn Ni -","- Cs12 F36 Mn6 Ni6 -","6","0.166667","","Dance, J.M.; Grannec, J.; Perrin, M.; Tressaud, A.","Reparation cationique et structure magnetique de Cs2 Mn Ni F6","Materials Research Bulletin","1977","12","","989","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524322","3.298","","3.298","","17.4","","90","","90","","120","","163.901","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sn Ta S2","","- S2 Sn Ta -","- S2 Sn Ta -","- S4 Sn2 Ta2 -","2","0.0833333","","Eppinga, R.; Wiegers, G.A.","The crystal structure of the intercalates Sn Ta S2 and Sn Nb S2","Materials Research Bulletin","1977","12","","1057","1062","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524323","3.324","","3.324","","17.37","","90","","90","","120","","166.208","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sn Nb S2","","- Nb S2 Sn -","- Nb S2 Sn -","- Nb2 S4 Sn2 -","2","0.0833333","","Eppinga, R.; Wiegers, G.A.","The crystal structure of the intercalates Sn Ta S2 and Sn Nb S2","Materials Research Bulletin","1977","12","","1057","1062","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524371","5.446","","11.207","","5.137","","90","","94.7","","90","","312.474","","","","","","","","","","","","","4","I 1 2/c 1","-I 2yc","15","","Ca Th Nb2 O8","","- Ca Nb2 O8 Th -","- Ca Nb2 O8 Th -","- Ca2 Nb4 O16 Th2 -","2","0.25","","Fonteneau, G.; l'Helgoualch, H.; Lucas, J.","Les niobates Ca U Nb2 O8 et M Th Nb2 O8 (M= Ca, Sr, Cd). Etudes des transformations monoclinique - quadratique","Materials Research Bulletin","1977","12","","25","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524378","17.465","","3.301","","8.519","","90","","103.94","","90","","476.672","","","","","","","","","","","","","3","C 1 2 1","C 2y","5","","Tl V5 S8","","- S8 Tl V5 -","- S8 Tl V5 -","- S16 Tl2 V10 -","2","0.5","","Founes, L.; Vlasse, M.; Saux, M.","Preparation, properties and crystal structure of Tl V5 S8","Materials Research Bulletin","1977","12","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524581","8.956","","8.956","","8.776","","90","","90","","120","","609.615","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Dy2 Zn17 -","- Dy2 Zn17 -","- Dy4 Zn34 -","2","0.0833333","","Iandelli, A.; Palenzona, A.","Zinc-rich phases of the rare earth-zinc alloys","Journal of the Less-Common Metals","1967","12","","333","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524598","12.231","","12.231","","12.417","","90","","90","","120","","1608.69","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","(Zn4 Sb3)3.14","","- Sb30 Zn36 -","- Sb30 Zn36 -","- Sb30 Zn36 -","1","0.0277778","","Ignat'ev, N.A.; Ugai, Ya.A.; Aleinikova, K.B.; Rabotkina, N.S.","Structure of beta-Zn4 Sb3 and Cd4 Sb3","Journal of Structural Chemistry (USSR) (= Zhurnal Strukturnoi Khimii)","1971","12","","665","666","","","","","","","","","","","","","","","","","","","","","","has coordinates","145390","2020-10-21","18:00:00",""
"1524636","5.098","","5.098","","4.171","","90","","90","","120","","93.879","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce (Mn2.5 Ni2.5)","","- Ce Mn2.5 Ni2.5 -","- Ce Mn2.55 Ni2.45 -","- Ce Mn2.55 Ni2.45 -","1","0.0416667","","Kal'ichak, Ya.M.; Gladyshevskii, E.I.; Bodak, O.I.","The system Ce-Mn-Ni","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1976","12","","1149","1154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524710","7.302","","12.713","","3.627","","90","","90","","90","","336.696","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","K (W3 O9)","","- K O9 W3 -","- K O9 W3 -","- K2 O18 W6 -","2","0.125","","Klug, A.","X-ray diffraction studies of potassium polytungstates with high W O3 content","Materials Research Bulletin","1977","12","","837","845","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524758","4.905","","4.905","","26.33","","90","","90","","120","","548.605","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","(Co Ta)6.5","","- Co6.5 Ta6.5 -","- Co6.5 Ta6.5 -","- Co19.5 Ta19.5 -","3","0.0833333","","Kripyakevich, P.I.; Gladyshevskii, E.I.; Skolozdra, R.V.","W6 Fe7-type compounds in the Nb-Fe, Ta-Fe and Ta-Co systems","Kristallografiya","1967","12","","600","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","145587","2020-10-21","18:00:00",""
"1524759","4.928","","4.928","","26.83","","90","","90","","120","","564.277","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","(Fe Nb)6.5","","- Fe6.5 Nb6.5 -","- Fe6.5 Nb6.5 -","- Fe19.5 Nb19.5 -","3","0.0833333","","Kripyakevich, P.I.; Gladyshevskii, E.I.; Skolozdra, R.V.","W6 Fe7-type compounds in the Nb-Fe, Ta-Fe and Ta-Co systems","Kristallografiya","1967","12","","600","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","145588","2020-10-21","18:00:00",""
"1524769","6.837","","6.837","","6.837","","90","","90","","90","","319.593","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Cd Li2 Pb -","- Cd Li2 Pb -","- Cd4 Li8 Pb4 -","4","0.0416667","","Kuriyama, K.; Yahagi, M.; Iwamura, K.","X-ray analysis of Li2 Cd Pb compound","Japanese Journal of Applied Physics","1973","12","","743","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524824","3.91","","6.51","","7.59","","90","","90","","90","","193.197","","","","","","","","","","","","","3","P m n b","-P 2bc 2a","62","","Tl (Bi F4)","","- Bi F4 Tl -","- Bi F4 Tl -","- Bi2 F8 Tl2 -","2","0.25","","Lucat, C.; Portier, J.; Sorbe, P.; Reau, J.M.; Hagenmuller, P.","Synthese et etude de la conductivite anionique de nouveaux electrolytes M Bi F4 (M= K, Rb, Tl)","Materials Research Bulletin","1977","12","","145","150","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524928","7.161","","10.553","","7.081","","98.02","","117.13","","90.1","","470.278","","","","","","","","","","","","","4","P -1","-P 1","2","","K4 (H2 I2 O10) (H2 O)8","","- H18 I2 K4 O18 -","- I2 K4 O18 -","- I2 K4 O18 -","1","0.5","","Mikhail, I.","Crystal Structure of K4 (H2 J2 O10) (H2 O)8","Materials Research Bulletin","1977","12","","489","496","","","","","","","","","","","","","","","","","","","","","","has coordinates","145796","2020-10-21","18:00:00",""
"1524954","7.021","","7.021","","9.1","","90","","90","","120","","388.481","","","","","","","","","","","","","4","P 1 1 m","P -2","6","","Y Si N O2","","- N O2 Si Y -","- N O2 Si Y -","- N6 O12 Si6 Y6 -","6","3","","Morgan, P.E.D.; Carroll, P.J.; Lange, F.F.","Crystal structure of Y Si O2 N and a reappraisal of the ""vaterite"" type, Y B O3","Materials Research Bulletin","1977","12","","251","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524959","19.3189","","13.833","","11.849","","90","","113.48","","90","","2904.32","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Na15.56 (Al15.2 Si32.8 O96)","","- Al15.2 Na15.56 O96 Si32.8 -","- Al15.2016 Na15.564 O96 Si32.7984 -","- Al15.2016 Na15.564 O96 Si32.7984 -","1","0.125","","Mortier, W.J.; Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in zeolites with the chabazite framework. III. Dehydrated Na-exchanged chabazite","Materials Research Bulletin","1977","12","","241","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","145836","2020-10-21","18:00:00",""
"1524960","9.442","","9.442","","9.442","","93.09","","93.09","","93.09","","837.958","","","","","","","","","","","","","4","R -3 m :R","-P 3* 2","166","","Ca1.979 (Al3.8 Si8.2 O24)","","- Al3.8 Ca1.979 O24 Si8.2 -","- Al3.8004 Ca1.979 O24 Si8.1996 -","- Al3.8004 Ca1.979 O24 Si8.1996 -","1","0.0833333","","Mortier, W.J.; Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in zeolites with the chabazite framework. I. Dehydrated Ca-exchanged chabazite","Materials Research Bulletin","1977","12","","97","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524988","7.569","","8.355","","5.059","","90","","94.95","","90","","318.733","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Zn2 Mg (P O4)2","","- Mg O8 P2 Zn2 -","- Mg O8 P2 Zn2 -","- Mg2 O16 P4 Zn4 -","2","0.5","","Nord, A.G.","The cation distribution in Zn2 Mg (P O4)2 determined by X-Ray profile fitting refinements","Materials Research Bulletin","1977","12","","563","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524998","5.0793","","5.0793","","5.0793","","90","","90","","90","","131.042","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Ce0.5 Th0.48 Zr0.02)","","- Ce0.5 Th0.48 Zr0.02 -","- Ce0.5 Th0.48 Zr0.02 -","- Ce2 Th1.92 Zr0.08 -","4","0.0208333","","Norman, M.; Raynor, G.V.; Harris, I.R.","Lattice spacings and effective atomic diameters in the ternary system Th-Ce-Zr","Journal of the Less-Common Metals","1967","12","","465","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","145884","2020-10-21","18:00:00",""
"1525052","6.774","","6.774","","6.774","","90","","90","","90","","310.839","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Co2 Nb -","- Co2 Nb -","- Co16 Nb8 -","8","0.0416667","","PargeterJ, K.; Hume-Rothery, W.","The constitution of niobium-cobalt alloys","Journal of the Less-Common Metals","1967","12","","366","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525096","9.31","","9.31","","9.31","","92.01","","92.01","","92.01","","805.429","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Cu1.82 K0.2 (Al3.9 Si8.1 O24)","","- Al3.9 Cu1.82 K0.2 O24 Si8.1 -","- Al3.9 Cu1.82 O24 Si8.1 -","- Al3.9 Cu1.82 O24 Si8.1 -","1","0.0833333","","Pluth, J.J.; Smith, J.V.; Mortier, W.J.","Positions of cations and molecules in zeolites with the chabazite framework. IV. Hydrated and dehydrated Cu2+ exchanged chabazite","Materials Research Bulletin","1977","12","","1001","1007","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525097","9.411","","9.411","","9.411","","95.31","","95.31","","95.31","","822.056","","","","","","","","","","","","","6","R -3 m :R","-P 3* 2","166","","Cu0.918 K0.2 (Al3.9 Si8.1 O24) (H2 O)16.86","","- Al3.9 Cu0.918 H33.72 K0.2 O40.86 Si8.1 -","- Al3.9 Cu0.918 O40.84 Si8.1 -","- Al3.9 Cu0.918 O40.84 Si8.1 -","1","0.0833333","","Pluth, J.J.; Smith, J.V.; Mortier, W.J.","Positions of cations and molecules in zeolites with the chabazite framework. IV. Hydrated and dehydrated Cu2+ exchanged chabazite","Materials Research Bulletin","1977","12","","1001","1007","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525392","10.69","","10.69","","10.69","","90","","90","","90","","1221.61","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Fe0.76 Yb2.16 S4","","- Fe0.76 S4 Yb2.16 -","- Fe0.76 S4 Yb2.16 -","- Fe6.08 S32 Yb17.28 -","8","0.0416667","","Tomas, A.; Guittard, M.","Une structure derivee de celle du spinelle la structure de Fe0.76 Yb2.16 S4","Materials Research Bulletin","1977","12","","1043","1046","","","","","","","","","","","","","","","","","","","","","","has coordinates","146349","2020-10-21","18:00:00",""
"1525506","11.33","","11.33","","11.33","","90","","90","","90","","1454.42","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Co13 La -","- Co13 La -","- Co104 La8 -","8","0.0416667","","Zarechnyuk, O.S.; Kripyakevich, P.I.","The compound La Co13 and its crystal structure","Kristallografiya","1967","12","","512","513","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525526","11.602","","7.325","","6.657","","90","","90","","121.83","","480.665","","","","","","","","","","","","","3","B 1 1 m","B -2","8","","Cu3 V4 S8","","- Cu3 S8 V4 -","- Cu3 S8 V4 -","- Cu6 S16 V8 -","2","0.5","","le Nagard, N.; Collin, G.; Gorochov, O.","Structure cristalline et propprietes physiques de Cu0.75 V S2","Materials Research Bulletin","1977","12","","975","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527377","4.99","","10.59","","23.61","","90","","98","","90","","1235.51","","","","","","","","","","","","","5","A 1 2/m 1","-A 2y","12","","Ba Te (S2 O3)2 (H2 O)2","","- Ba H4 O8 S4 Te -","- Ba H4 O8 S4 Te -","- Ba4 H16 O32 S16 Te4 -","4","0.5","","Foss, O.; Tjomsland, O.","The crystal structure of monoclinic barium telluro pentathionate dihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1958","12","","52","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","189186","2020-10-21","18:00:00",""
"1527559","8.927","","8.927","","5.215","","90","","90","","90","","415.59","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Sm Zn12 -","- Sm Zn12 -","- Sm2 Zn24 -","2","0.0625","","Iandelli, A.; Palenzona, A.","Zinc-rich phases of the rare-earth-zinc alloys","Journal of the Less-Common Metals","1967","12","","333","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527910","3.486","","3.486","","3.486","","90","","90","","90","","42.363","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Dy Pd -","- Dy Pd -","- Dy Pd -","1","0.0208333","","Palenzona, A.; Cirafici, S.","Thermodynamic and crystallographic properties of Re Pd intermetallic compounds","Thermochimica Acta","1975","12","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528206","8.593","","5.466","","7.641","","90","","96.65","","90","","356.478","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","K Cr (Cr O4)2","","- Cr3 K O8 -","- Cr3 K O8 -","- Cr6 K2 O16 -","2","0.25","","Wilhelmi, K.A.","The crystal structure of K Cr3 O8","Acta Chemica Scandinavica (1-27,1973-42,1988)","1958","12","","1965","1976","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528730","5.533997","","5.49983","","16.55071","","90","","90","","90","","503.738","","","","","","","","","","","","","3","B 2 c b","B -2ab 2","41","","Bi2 (W O6)","","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","","","McDowell, N.A.; Knight, K.S.; Lightfoot, P.","Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6","Chemistry - A European Journal","2006","12","","1493","1499","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528731","8.37422","","3.854296","","16.44044","","90","","102.334","","90","","518.396","","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","Bi2 W O6","","- Bi2 O6 W -","- Bi2 O6 W -","- Bi8 O24 W4 -","4","0.5","","McDowell, N.A.; Knight, K.S.; Lightfoot, P.","Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6","Chemistry - A European Journal","2006","12","","1493","1499","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529572","14.3421","","14.3421","","4.0528","","90","","90","","120","","721.957","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Na2 Pb11 F18 Br6","","- Br6 F18 Na2 Pb11 -","- Br6 F18 Na2.0002 Pb10.9998 -","- Br6 F18 Na2.0002 Pb10.9998 -","1","0.0833333","","Aurivillius, B.","X-ray studies on mixed sodium lead bromide fluorides with the limiting composition 3Pb F2 * Pb Br2 and similar substances","Chemica Scripta","1977","12","","18","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","154021","2020-10-21","18:00:00",""
"1529999","4.13","","4.13","","7.145","","90","","90","","120","","105.544","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Ca Al2 Si2","","- Al2 Ca Si2 -","- Al2 Ca Si2 -","- Al2 Ca Si2 -","1","0.0833333","","Gladyshevskii, E.I.; Kripyakevich, P.I.; Bodak, O.I.","The crystal structure of the compound Ca Al2 Si2 and its analogues","Ukrains'kii Fizichnii Zhurnal (Ukrainian Edition)","1967","12","","447","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530040","16.276","","11.549","","4.543","","90","","90","","90","","853.955","","","","","","","","","","","","","3","P m m n :1","P 2 2ab -1ab","59","","K (Sb F4)","","- F4 K Sb -","- F4 K Sb -","- F32 K8 Sb8 -","8","1","","Habibi, N.; Ducourant, M.B.; Bonnet, B.; Fourcade, R.","Redetermination de la structure cristalline de K Sb F4 - liaison fluor dans les fluoroantimonates III","Journal of Fluorine Chemistry","1978","12","","63","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530041","8.068","","5.53","","8.57","","90","","94.15","","90","","381.357","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na Sb F4","","- F4 Na Sb -","- F4 Na Sb -","- F16 Na4 Sb4 -","4","1","","Habibi, N.; Bonnet, B.; Ducourant, M.B.","Redetermination de la structure cristalline du tetrafluoro- antimonate III de sodium Na Sb F4 - interaction liaison fluor-paire electronique libre","Journal of Fluorine Chemistry","1978","12","","237","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530053","10.147","","5.909","","4.692","","90","","90","","90","","281.326","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Mg P O4","","- Li Mg O4 P -","- Li Mg O4 P -","- Li4 Mg4 O16 P4 -","4","0.5","","Hanic, F.; Handlovic, M.; Burdova, K.; Majling, J.","Crystal structure of lithium magnesium phosphate, Li Mg P O4: crystal chemistry of the olivine-type compounds","Journal of Crystallographic and Spectroscopic Research","1982","12","","99","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530110","5.605","","5.605","","5.605","","90","","90","","90","","176.087","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs Pb Cl3","","- Cl3 Cs Pb -","- Cl3 Cs Pb -","- Cl3 Cs Pb -","1","0.0208333","","Hutton, J.; Meyer, G.M.; Nelmes, R.J.; Eiriksson, V.R.","High-resolution studies of cubic Perovskites by elastic neutron diffraction - Cs Pb Cl3","Journal of Physics C","1979","12","","5393","5410","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530562","10.98","","6.8","","5.36","","90","","94","","90","","399.224","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Ba Fe2 Ti (Si2 O7) O (O H)2","","- Ba Fe2 H2 O10 Si2 Ti -","- Ba Fe2 O10 Si2 Ti -","- Ba2 Fe4 O20 Si4 Ti2 -","2","0.5","","Pen, C.C.; Chen, C.C.","The crystal structure of bafertisite - the new mineral discovered in China","Scientia Sinica","1963","12","","278","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531006","9.3244","","9.3244","","2.7227","","90","","90","","90","","236.724","","","","","","","","","","","","","4","I 4/m","-I 4","87","","K Al Si3 O8","","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al2 K2 O16 Si6 -","2","0.125","","Yamada, H.; Matsui, Y.; Ito, E.","Crystal-chemical characterization of K Al Si3 O8 with the hollandite structure","Mineralogical Journal (Japan)","1984","12","","29","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532921","7.256","","7.256","","9.459","","90","","90","","120","","431.291","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","Ce Si O2 N","","- Ce N O2 Si -","- Ce N O2 Si -","- Ce6 N6 O12 Si6 -","6","0.5","","Morgan, P.E.D.; Carroll, P.J.","The crystal structures of Ce Si O2 N and La Si O2 N","Journal of Materials Science","1977","12","","2343","2344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532923","7.31","","7.31","","9.55","","90","","90","","120","","441.946","","","","","","","","","","","","","4","P -6 c 2","P -6c 2","188","","La Si O2 N","","- La N O2 Si -","- La N O2 Si -","- La6 N6 O12 Si6 -","6","0.5","","Morgan, P.E.D.; Carroll, P.J.","The cyrstal structures of Ce Si O2 N and La Si O2 N","Journal of Materials Science","1977","12","","2343","2344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533358","4.04","","4.04","","7.735","","90","","90","","90","","126.248","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Ce Co Ge H -","- Ce Co Ge H -","- Ce2 Co2 Ge2 H2 -","2","0.125","","Chevalier, B.; Gaudin, E.; Weill, F.; Bobet, J.L.","Hydrogenation and physical properties of the ternary germanide Ce Co Ge : an anisotropic expansion of the unit cell","Intermetallics","2004","12","","437","442","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533513","12.2403","","12.2403","","12.2403","","90","","90","","90","","1833.9","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti37.9 Ru28 Al54.1","","- Al54.1 Ru28 Ti37.9 -","- Al54.096 Ru28 Ti37.904 -","- Al54.096 Ru28 Ti37.904 -","1","0.00520833","","Grytsiv, A.V.; Pomjakushin, V.; Rogl, P.; Giester, G.; Hundegger, P.; Schmidt, H.; Wiesinger, G.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159762","2020-10-21","18:00:00",""
"1533517","12.1841","","12.1841","","12.1841","","90","","90","","90","","1808.76","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti32.52 Rh28 Al59.48","","- Al59.48 Rh28 Ti32.52 -","- Al59.488 Rh28 Ti32.512 -","- Al59.488 Rh28 Ti32.512 -","1","0.00520833","","Grytsiv, A.V.; Wiesinger, G.; Schmidt, H.; Rogl, P.; Giester, G.; Hundegger, P.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159766","2020-10-21","18:00:00",""
"1533521","12.2286","","12.2286","","12.2286","","90","","90","","90","","1828.65","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti28.5 Pd27.2 Al63.5","","- Al63.5 Pd27.2 Ti28.5 -","- Al63.52 Pd27.24 Ti28.48 -","- Al63.52 Pd27.24 Ti28.48 -","1","0.00520833","","Grytsiv, A.V.; Wiesinger, G.; Rogl, P.; Schmidt, H.; Hundegger, P.; Giester, G.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159770","2020-10-21","18:00:00",""
"1533524","12.2747","","12.2747","","12.2747","","90","","90","","90","","1849.41","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti37.3 Os28 Al54.7","","- Al54.7 Os28 Ti37.3 -","- Al54.72 Os28 Ti37.28 -","- Al54.72 Os28 Ti37.28 -","1","0.00520833","","Grytsiv, A.V.; Rogl, P.; Hundegger, P.; Schmidt, H.; Giester, G.; Pomjakushin, V.; Wiesinger, G.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159773","2020-10-21","18:00:00",""
"1533528","12.2049","","12.2049","","12.2049","","90","","90","","90","","1818.04","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti35.26 Ir28 Al56.74","","- Al56.74 Ir28 Ti35.26 -","- Al56.736 Ir28 Ti35.264 -","- Al56.736 Ir28 Ti35.264 -","1","0.00520833","","Grytsiv, A.V.; Hundegger, P.; Rogl, P.; Schmidt, H.; Wiesinger, G.; Giester, G.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159777","2020-10-21","18:00:00",""
"1533531","12.2315","","12.2315","","12.2315","","90","","90","","90","","1829.95","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti37.6 Pt27.5 Al54.4","","- Al54.4 Pt27.5 Ti37.6 -","- Al54.4 Pt27.52 Ti37.6 -","- Al54.4 Pt27.52 Ti37.6 -","1","0.00520833","","Grytsiv, A.V.; Rogl, P.; Giester, G.; Schmidt, H.; Hundegger, P.; Wiesinger, G.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","159781","2020-10-21","18:00:00",""
"1533534","3.9316","","3.9316","","3.9316","","90","","90","","90","","60.773","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ti (Ni0.11 Al0.89)3","","- Al2.67 Ni0.33 Ti -","- Al2.679 Ni0.321 Ti -","- Al2.679 Ni0.321 Ti -","1","0.0208333","","Grytsiv, A.V.; Rogl, P.; Schmidt, H.; Giester, G.; Wiesinger, G.; Hundegger, P.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533537","3.96245","","3.96245","","3.96245","","90","","90","","90","","62.214","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ti (Pt0.08 Al0.92)3","","- Al2.76 Pt0.24 Ti -","- Al2.76 Pt0.24 Ti -","- Al2.76 Pt0.24 Ti -","1","0.0208333","","Grytsiv, A.V.; Rogl, P.; Schmidt, H.; Pomjakushin, V.; Wiesinger, G.; Giester, G.; Hundegger, P.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII)- Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533540","3.92447","","3.92447","","3.92447","","90","","90","","90","","60.443","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ti (Ni0.105 Al0.895)3","","- Al2.685 Ni0.315 Ti -","- Al2.685 Ni0.315 Ti -","- Al2.685 Ni0.315 Ti -","1","0.0208333","","Grytsiv, A.V.; Rogl, P.; Schmidt, H.; Wiesinger, G.; Giester, G.; Hundegger, P.; Pomjakushin, V.","Formation and crystal chemistry of cubic ternary phases with filled (Th6 Mn23)-type and (Au Cu3)-type in the systems Ti - M(VIII) - Al","Intermetallics","2004","12","","563","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533987","8.154","","5.057","","10.185","","90","","90","","90","","419.976","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ce Cu5 (Cu0.16 Zn0.84)","","- Ce Cu5.16 Zn0.84 -","- Ce Cu5.16 Zn0.84 -","- Ce4 Cu20.64 Zn3.36 -","4","0.5","","Pavlyuk, V.V.; Marciniak, B.; Zelinska, O.Ya.; Rozycka-Sokolowska, E.; Solokha, P.G.","Solubility of zinc in Ce Cu6 intermetallic compound","Intermetallics","2004","12","","665","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534016","14.768","","7.723","","7.741","","90","","90","","90","","882.886","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Tm5 Sb2 Si2","","- Sb2 Si2 Tm5 -","- Sb2 Si2 Tm5 -","- Sb8 Si8 Tm20 -","4","","","Kozlov, A.Yu.; Davydov, V.M.; Pavlyuk, V.V.","The crystal structure of the new ternary compounds RE5 Sb2 X2 (RE - Y, Tb, Dy, Ho, Er, Tm; X - Si or Ge)","Intermetallics","2004","12","","151","155","","","","","","","","","","","","","","","","","","","","","","has coordinates","160321","2020-10-21","18:00:00",""
"1534176","9.16","","3.94","","6.91","","90","","90","","90","","249.385","","","","","","","","","","","","","4","P m n 21","P 2ac -2","31","","Mo O2 Cl2 H2 O","","- Cl2 H2 Mo O3 -","- Cl2 Mo O3 -","- Cl4 Mo2 O6 -","2","0.5","","Atovmyan, L.O.; Aliev, Z.G.","Crystal Structure of a New Mo(IV) Dioxo Complex, Mo O2 Cl2 H2 O","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","732","734","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534312","5.88","","5.88","","84.11","","90","","90","","120","","2518.45","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ba2 Fe30 O46 -","- Ba2 Fe30 O46 -","- Ba6 Fe90 O138 -","3","0.0833333","","Braun, P.B.","The crystal structures of a new group of ferromagnetic compounds","Philips Research Reports","1957","12","","491","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534313","5.885","","5.885","","52.301","","90","","90","","120","","1568.68","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Fe26 O41 -","- Ba3 Fe26 O41 -","- Ba6 Fe52 O82 -","2","0.0833333","","Braun, P.B.","The crystal structures of a new group of ferromagnetic compounds","Philips Research Reports","1957","12","","491","548","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534351","11.4458","0.0002","11.4458","0.0002","27.7551","0.0005","90","","90","","120","","3148.95","0.1","293","2","293","2","","","","","","","","5","P 65","P 65","170","","Boc-L-Cys(Me)-L-Leu-OMe","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C96 H180 N12 O30 S6 -","6","1","","Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro","A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water.","Soft matter","2015","12","1","238","245","10.1039/c5sm02189h","","","1.54178","CuKα","","0.0468","0.0403","","","0.104","0.1083","","","","","","1.042","","","","has coordinates","176211","2020-10-21","18:00:00",""
"1534352","5.08911","0.00007","12.09583","0.00013","32.4406","0.0004","90","","90","","90","","1996.95","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Boc-L-Leu-L-Cys(Me)-OMe","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C64 H120 N8 O20 S4 -","4","1","","Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro","A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water.","Soft matter","2015","12","1","238","245","10.1039/c5sm02189h","","","1.54178","CuKα","","0.0406","0.0391","","","0.1077","0.1091","","","","","","1.035","","","","has coordinates,has disorder","176211","2020-10-21","18:00:00",""
"1534580","5.0709","","5.0709","","7.7446","","90","","90","","120","","172.465","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Mg Co6 Ge6","","- Co6 Ge6 Mg -","- Co6 Ge6 Mg -","- Co6 Ge6 Mg -","1","0.0416667","","Gieck, C.; Cavet, S.; Schreyer, M.; Faessler, T.F.; Claus, P.","Synthesis, crystal structure, and catalytic properties of Mg Co6 Ge6","Chemistry - A European Journal","2006","12","","1924","1930","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534597","8.476","","8.476","","8.476","","90","","90","","90","","608.938","","","","","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","Mg Sb2 O4","","- Mg O4 Sb2 -","- Mg O4 Sb2 -","- Mg4 O16 Sb8 -","4","0.25","","Giroux-Maraine, C.; Perez, G.","Structure cristalline de l'antimonite de magnesium Mg Sb2 O4","Revue de Chimie Minerale","1975","12","","427","432","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535331","9.808","","5.281","","17.973","","90","","90","","90","","930.93","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Ir (In1.3 Mg0.7)","","- In1.3 Ir Mg0.7 -","- In1.296 Ir Mg0.704 -","- In20.736 Ir16 Mg11.264 -","16","0.5","","Hlukhyy, V.; Poettgen, R.; Hoffmann, R.D.","Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type","Intermetallics","2004","12","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535333","9.819","","5.288","","17.992","","90","","90","","90","","934.196","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Ir (In1.47 Mg0.53)","","- In1.47 Ir Mg0.53 -","- In1.466 Ir Mg0.534 -","- In23.456 Ir16 Mg8.544 -","16","0.5","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type","Intermetallics","2004","12","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535337","7.887","","7.887","","8.366","","90","","90","","120","","450.684","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ir (In0.97 Mg2.03)","","- In0.97 Ir Mg2.03 -","- In0.968333 Ir Mg2.03167 -","- In5.81 Ir6 Mg12.19 -","6","0.5","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type","Intermetallics","2004","12","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535341","7.886","","7.886","","8.327","","90","","90","","120","","448.469","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ir (In0.8 Mg2.2)","","- In0.8 Ir Mg2.2 -","- In0.798 Ir Mg2.202 -","- In4.788 Ir6 Mg13.212 -","6","0.5","","Hlukhyy, V.; Hoffmann, R.D.; Poettgen, R.","Synthesis and crystal structures of the pseudobinary intermetallics Ir In2-x Mgx with orthorhombic Mg2 Cu structure and Ir Mg3-x Inx with hexagonal Cu3 P Type","Intermetallics","2004","12","","383","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535344","8.671","","8.671","","8.164","","90","","90","","120","","531.584","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Pd2 Mg5","","- Mg5 Pd2 -","- Mg5 Pd2 -","- Mg20 Pd8 -","4","0.166667","","Hlukhyy, V.; Poettgen, R.","Preparation and structure refinements of Pd2 Mg5 and Ir2.096 Mg1.98 In2.924 with hexagonal Co2 Al5 type structure","Intermetallics","2004","12","","533","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","162658","2020-10-21","18:00:00",""
"1535347","8.339","","8.339","","8.601","","90","","90","","120","","517.973","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ir2.096 Mg1.980 In2.924","","- In2.924 Ir2.096 Mg1.98 -","- In2.9235 Ir2.0965 Mg1.98 -","- In11.694 Ir8.386 Mg7.92 -","4","0.166667","","Hlukhyy, V.; Poettgen, R.","Preparation and structure refinements of Pd2 Mg5 and Ir2.096 Mg1.98 In2.924 with hexagonal Co2 Al5 type structure","Intermetallics","2004","12","","533","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","162661","2020-10-21","18:00:00",""
"1535459","10.74","","11.78","","13.58","","90","","90","","90","","1718.1","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","Tl10 Sb2 O10","","- O10 Sb2 Tl10 -","- O10 Sb2 Tl10 -","- O40 Sb8 Tl40 -","4","0.5","","Bouchama, M.; Tournoux, M.","Structure cristalline de l'antimonate de thallium Tl5 Sb O5","Revue de Chimie Minerale","1975","12","","93","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","162849","2020-10-21","18:00:00",""
"1535960","5.84","","5.84","","7.598","","90","","90","","120","","224.417","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rb In (W O4)2","","- In O8 Rb W2 -","- In O8 Rb W2 -","- In O8 Rb W2 -","1","0.0833333","","Efremov, V.A.; Trunov, V.K.; Velikodnyi, Yu.A.","Structure of alpha-Rb In (W O4)2","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","731","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535992","10.181","","10.181","","2.975","","90","","90","","90","","308.367","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Tl0.205 (Mg0.1025 Ti0.8975) O2","","- Mg0.1025 O2 Ti0.8975 Tl0.205 -","- Mg0.1025 O2 Ti0.8975 Tl0.205 -","- Mg0.82 O16 Ti7.18 Tl1.64 -","8","0.5","","Verbaere, A.; Dion, M.; Tournoux, M.","Structures et problemes d'ordre dans des phases Tlx (My Ti1-y) O2","Revue de Chimie Minerale","1975","12","","156","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","163539","2020-10-21","18:00:00",""
"1536545","5.351","","7.131","","14.488","","102.1","","95.24","","90","","538.188","","","","","","","","","","","","","6","P 1","P 1","1","","Na7.23 Ti4 (Si2 O7)2 O2 (O H)2 (H P O4)2","","- H4 Na7.23 O26 P2 Si4 Ti4 -","- Na7.23 O26 P2 Si4 Ti4 -","- Na7.23 O26 P2 Si4 Ti4 -","1","1","","Khalilov, A.D.","Refinement of crystal structure of betalomonosovite from Lovozerskii alkaline mine","Mineralogiceskij Zhurnal","1990","12","","10","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","164292","2020-10-21","18:00:00",""
"1536838","10.469","","10.469","","10.469","","90","","90","","90","","1147.4","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Eu2 Sn2 O7","","- Eu2 O7 Sn2 -","- Eu2 O7 Sn2 -","- Eu16 O56 Sn16 -","8","0.0416667","","Faucher, M.; Caro, P.","Ordre et desordre dans certains composes du type pyrochlore","Journal of Solid State Chemistry","1975","12","","1","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536898","19.489","","7.086","","5.386","","90","","96.75","","90","","738.646","","","","","","","","","","","","","9","C 1 2/m 1","-C 2y","12","","Ti3 Na (Na1.05 Fe0.95) (Sr1.2 K0.65 Ba0.15) O3.3 (Si2 O7)2 (O H)0.7","","- Ba0.15 Fe0.95 H0.7 K0.65 Na2.05 O18 Si4 Sr1.2 Ti3 -","- Ba0.15 Fe0.95 K0.65 Na2.05 O18 Si4 Sr1.2 Ti3 -","- Ba0.3 Fe1.9 K1.3 Na4.1 O36 Si8 Sr2.4 Ti6 -","2","0.25","","Rastsvetaeva, R.K.; Sokolova, M.N.; Gusev, A.I.","Refined crystal structure of lamprophyllite","Mineralogiceskij Zhurnal","1990","12","","25","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537512","11.244","","12.875","","10.504","","90","","96.061","","90","","1512.13","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ru N O O H (N O2)2 (N H3)2","","- H7 N5 O6 Ru -","- H7 N5 O6 Ru -","- H56 N40 O48 Ru8 -","8","2","","Khodashova, T.S.; Porai-Koshits, M.A.; Sergienko, V.S.","X-Ray Structure Determination for Crystals of Dinitrohydroxonitrosodiammineruthenium","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","478","485","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1537893","5.348","","5.348","","4.385","","90","","90","","120","","108.613","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Pr Pt5 -","- Pr Pt5 -","- Pr Pt5 -","1","0.0416667","","Bronger, W.","Preparation and X-ray investigation of platinum alloys with the rare-earth metals (Pt5 Ln and Pt3 Ln phases)","Journal of the Less-Common Metals","1967","12","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537896","4.032","","4.032","","4.032","","90","","90","","90","","65.548","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt3 Yb -","- Pt3 Yb -","- Pt3 Yb -","1","0.0208333","","Bronger, W.","Preparation and X-ray investigation of platinum alloys with the rare-earth metals (Pt5 Ln and Pt3 Ln phases)","Journal of the Less-Common Metals","1967","12","","63","68","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538037","9.3","","9.3","","9.3","","90","","90","","90","","804.357","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Sm4 Sb3","","- Sb3 Sm4 -","- Sb3 Sm4 -","- Sb12 Sm16 -","4","0.0833333","","Gambino, R.J.","Rare-earth-Sb and -Bi compounds with the Gd4Bi3 (anti-Th3P4) structure","Journal of the Less-Common Metals","1967","12","","344","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","166445","2020-10-21","18:00:00",""
"1538040","9.05","","9.05","","9.05","","90","","90","","90","","741.218","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Y4 Sb3","","- Sb3 Y4 -","- Sb3 Y4 -","- Sb12 Y16 -","4","0.0833333","","Gambino, R.J.","Rare-earth-Sb and -Bi compounds with the Gd4Bi3 (anti-Th3P4) structure","Journal of the Less-Common Metals","1967","12","","344","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","166448","2020-10-21","18:00:00",""
"1538042","9.3","","9.3","","9.3","","90","","90","","90","","804.357","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Yb4 Sb3","","- Sb3 Yb4 -","- Sb3 Yb4 -","- Sb12 Yb16 -","4","0.0833333","","Gambino, R.J.","Rare-earth-Sb and -Bi compounds with the Gd4Bi3 (anti-Th3P4) structure","Journal of the Less-Common Metals","1967","12","","344","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","166451","2020-10-21","18:00:00",""
"1538045","9.35","","9.35","","9.35","","90","","90","","90","","817.4","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Nd Sm3 Sb3","","- Nd Sb3 Sm3 -","- Nd Sb3 Sm3 -","- Nd4 Sb12 Sm12 -","4","0.0833333","","Gambino, R.J.","Rare-earth-Sb and -Bi compounds with the Gd4Bi3 (anti-Th3P4) structure","Journal of the Less-Common Metals","1967","12","","344","352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538080","4.034","","4.034","","4.034","","90","","90","","90","","65.646","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Yb -","- Pd3 Yb -","- Pd3 Yb -","1","0.0208333","","Harris, I.R.; Raynor, G.V.; Winstanley, C.J.","Rare-earth intermediate phases IV. The high-temperature lattice spacings of some R.E.Pd3 phases","Journal of the Less-Common Metals","1967","12","","69","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538141","4.1206","","4.1206","","3.1814","","90","","90","","90","","54.018","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","(In Sn19)0.1","","- In0.1 Sn1.9 -","- In0.1 Sn1.9 -","- In0.1 Sn1.9 -","1","0.03125","","Helfrich, W.J.; Dodd, R.A.","Densities and lattice parameters of tin (indium) solid solutions","Acta Metallurgica","1964","12","","667","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","166568","2020-10-21","18:00:00",""
"1538354","9.41","","9.41","","7.64","","90","","90","","120","","585.873","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Na2 Zn2 (Te O3)3","","- Na2 O9 Te3 Zn2 -","- Na2 O9 Te3 Zn2 -","- Na4 O18 Te6 Zn4 -","2","0.166667","","Matzat, E.","Die Kristallstruktur eines unbenannten zeolithaltigen Telluritminerals, (Zn, Fe)2 (Te O3)3) Nax H2-x (H2 O)y","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1967","12","","108","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","166853","2020-10-21","18:00:00",""
"1538645","3.502","","3.502","","3.502","","90","","90","","90","","42.949","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Sb Sn -","- Sb Sn -","- Sb Sn -","1","0.0208333","","Losev, V.G.; Kabalkina, S.S.; Vereshchagin, L.F.","Sn Sb polymorphic transformation under high pressure","Soviet Physics - Solid State (New York)","1970","12","","2374","2376","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538665","13.32","","13.32","","6.12","","90","","90","","90","","1085.82","","","","","","","","","","","","","2","I 41/a :1","I 4bw -1bw","88","","Ta O2","","- O2 Ta -","- O2 Ta -","- O64 Ta32 -","32","2","","Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G.","Electron diffraction study of tantalum dioxide in thin films","Soviet Physics, Crystallography (= Kristallografiya)","1967","12","","907","912","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538687","5.47","","5.47","","5.47","","90","","90","","90","","163.667","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd S -","- Nd S -","- Nd4 S4 -","4","0.0208333","","Makarov, V.I.; Kleiner, V.Z.; Fisenko, V.A.; Tereshina, N.S.","Magnetic phase diagram of neodymium monosulfide","Soviet Journal of Low Temperature Physics (orig.: Fizika Nizkikh Temperatur)","1986","12","","151","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538909","9.43","","9.43","","9.43","","93.06","","93.06","","93.06","","834.842","","","","","","","","","","","","","5","R -3 m :R","-P 3* 2","166","","Ca1.979 Al3.8 Si8.2 O24 (C O)1.828","","- C1.828 Al3.8 Ca1.979 O25.828 Si8.2 -","- C1.8276 Al3.8004 Ca1.967 O25.8282 Si8.1996 -","- C1.8276 Al3.8004 Ca1.967 O25.8282 Si8.1996 -","1","0.0833333","","Mortier, W.J.; Pluth, J.J.; Smith, J.V.","Positions of cations and molecules in Zeolites with the Chabazite framework. II. Absorption of carbon monoxide on dehydrated Ca-exchanged chabazite","Materials Research Bulletin","1977","12","","103","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538954","3.469","","3.469","","3.469","","90","","90","","90","","41.746","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Pd -","- Ho Pd -","- Ho Pd -","1","0.0208333","","Palenzona, A.; Cirafici, S.","Thermodynamic and crystallographic properties of REPd intermetallic compounds","Thermochimica Acta","1975","12","","267","275","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539061","2.7677","","2.7677","","4.4181","","90","","90","","120","","29.309","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Pt2 Re3)0.4","","- Pt0.8 Re1.2 -","- Pt0.8 Re1.2 -","- Pt0.8 Re1.2 -","1","0.0416667","","Rudman, P.S.","Lattice parameters of some h.c.p. binary alloys of rhenium and osmium: Re-W, Re-Ir, Re-Pt; Os-Ir, Os-Pt","Journal of the Less-Common Metals","1967","12","","79","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","167794","2020-10-21","18:00:00",""
"1539062","2.7664","","2.7664","","4.4937","","90","","90","","120","","29.783","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Re9 W)0.2","","- Re1.8 W0.2 -","- Re1.8 W0.2 -","- Re1.8 W0.2 -","1","0.0416667","","Rudman, P.S.","Lattice parameters of some h.c.p. binary alloys of rhenium and osmium: Re-W, Re-Ir, Re-Pt; Os-Ir, Os-Pt","Journal of the Less-Common Metals","1967","12","","79","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","167795","2020-10-21","18:00:00",""
"1539199","4.085","","4.085","","4.085","","90","","90","","90","","68.167","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Pd H","","- H Pd -","- H Pd -","- H4 Pd4 -","4","0.0208333","","Schirber, J.E.; Morosin, B.","Lattice constants of beta- Pd Hx and beta- Pd Dx with x near 1.0","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1975","12","","117","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539254","6.176","","6.176","","6.176","","90","","90","","90","","235.571","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","U Sb","","- Sb U -","- Sb U -","- Sb4 U4 -","4","0.0208333","","Trzebiatowski, W.; Sepichowska, A.; Zygmunt, A.","Magnetic properties of uranium compounds with arsenic or antimony","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1964","12","","687","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539257","9.112","","9.112","","9.112","","90","","90","","90","","756.556","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","U3 Sb4","","- Sb4 U3 -","- Sb4 U3 -","- Sb16 U12 -","4","0.0833333","","Trzebiatowski, W.; Sepichowska, A.; Zygmunt, A.","Magnetic properties of uranium compounds with arsenic or antimony","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1964","12","","687","690","","","","","","","","","","","","","","","","","","","","","","has coordinates","168099","2020-10-21","18:00:00",""
"1539475","6.0121","","6.0121","","6.0121","","90","","90","","90","","217.309","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ge Te -","- Ge Te -","- Ge4 Te4 -","4","0.0208333","","Zhukova, T.B.; Zaslavskii, A.I.","Study of the phase transformation and structure of a-Ge Te","Soviet Physics, Crystallography (= Kristallografiya)","1967","12","","28","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539629","8.28","","8.28","","7.22","","90","","90","","120","","428.675","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cu7 Te4 -","- Cu7 Te4 -","- Cu14 Te8 -","2","0.333333","","Baranova, R.V.","Electron-diffraction determination of the crystal structure of the hexagonal beta I phase in the Cu-Te system","Soviet Physics, Crystallography (= Kristallografiya)","1967","12","","221","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540069","3.1815","","3.1815","","5.8313","","90","","90","","90","","59.024","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","","","- Sn -","- Sn -","- Sn2 -","2","0.0625","","Helfrich, W.J.; Dodd, R.A.","Densities and lattice parameters of tin (indium) solid solutions","Acta Metallurgica","1964","12","","667","669","10.1016/0001-6160(64)90039-2","","","","","","","","","","","","","","","","","","","","","has coordinates","279510","2022-11-23","14:33:45",""
"1540448","9.7329","0.0009","14.233","0.002","11.6251","0.0006","90","","106.694","0.006","90","","1542.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Adduct of N-methylimidazole and 2-(4-nitrophenyl)benzo[d][1,3,2]dioxaborole","","- C16 H14 B N3 O4 -","- C16 H14 B N3 O4 -","- C64 H56 B4 N12 O16 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.0677","0.0453","","","0.0979","0.1109","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540449","8.0935","0.0003","8.3643","0.0005","20.7488","0.0018","90","","94.35","0.006","90","","1400.57","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Adduct of N-methylimidazole and 2-phenylbenzo[d][1,3,2]dioxaborole","","- C16 H15 B N2 O2 -","- C16 H15 B N2 O2 -","- C64 H60 B4 N8 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.1295","0.1247","","","0.325","0.3266","","","","","","1.285","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540450","6.049","0.0005","14.0088","0.0016","27.989","0.003","90","","90","","90","","2371.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Adduct of N-methylimidazole and 2-([1,1'-biphenyl]-4-yl)benzo[d][1,3,2]dioxaborole","","- C29 H27 B N2 O2 -","- C29 H27 B N2 O2 -","- C116 H108 B4 N8 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.1215","0.0722","","","0.1474","0.1723","","","","","","1.109","","","","has coordinates","176210","2020-10-21","18:00:00",""
"1540451","11.0667","0.0004","14.2602","0.0005","11.2083","0.0005","90","","112.988","0.005","90","","1628.35","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Adduct of N-methylimidazole and 5,6-dichloro-2-phenylbenzo[d][1,3,2]dioxaborole","","- C16 H13 B Cl2 N2 O2 -","- C16 H13 B Cl2 N2 O2 -","- C64 H52 B4 Cl8 N8 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.065","0.0428","","","0.0961","0.1101","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540452","6.0264","0.0004","14.0749","0.0012","12.3126","0.001","90","","94.934","0.006","90","","1040.5","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Adduct of N-methylimidazole and 5-methyl-2-phenylbenzo[d][1,3,2]dioxaborole","","- C24 H25 B N2 O2 -","- C24 H25 B N2 O2 -","- C48 H50 B2 N4 O4 -","2","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.0561","0.043","","","0.0931","0.1008","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540453","19.788","0.0017","6.095","0.0006","12.5928","0.0008","90","","90","","90","","1518.8","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","Adduct of N-methylimidazole and 4-(benzo[d][1,3,2]dioxaborol-2-yl)benzonitrile","","- C17 H14 B N3 O2 -","- C17 H14 B N3 O2 -","- C68 H56 B4 N12 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.039","0.0345","","","0.0824","0.0861","","","","","","1.061","","","","has coordinates","176210","2020-10-21","18:00:00",""
"1540805","9.456","","9.621","","9.965","","90","","90","","90","","906.578","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Al2 (N H4) (P O4)2 F","","- Al2 F O8 P2 -","- Al2 F O8 P2 -","- Al8 F4 O32 P8 -","4","1","","Yu, L.; Pang, W.","Studies on the synthesis and structure of a new type of aluminophosphate molecular sieves (AlPO4-CJ2)","Gaodeng Xuexiao Huaxue Xuebao","1991","12","","1137","1140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540930","3.0034","","3.0034","","3.0034","","90","","90","","90","","27.092","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ga Rh -","- Ga Rh -","- Ga Rh -","1","0.0208333","","Schulz, K. J.; Musbah, O. A.; Chang, Y. A.","A Phase Investigation of the Rh-Ga-As System","Journal of Phase Equilibria","1991","12","1","10","14","10.1007/BF02663665","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541424","17.738","","15.596","","10.357","","90","","90","","90","","2865.18","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(Ru (C O)4)4 (Pt (C O))2","","- C18 O18 Pt2 Ru4 -","- C18 O18 Pt2 Ru4 -","- C72 O72 Pt8 Ru16 -","4","1","","Antonucci, V.; Arico, A.S.; Marchetti, F.; Calderazzo, F.; Labella, L.","A new polymorph of the heteronuclear cluster Ru4 Pt2 (C O)18","Journal of Cluster Science","2001","12","","293","301","","","","","","","","","","","","","","","","","","","","","","has coordinates","172752","2020-10-21","18:00:00",""
"1541561","12.502","","12.502","","12.502","","90","","90","","90","","1954.06","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Ca Y2 Fe4 Sn O12","","- Ca Fe4 O12 Sn Y2 -","- Ca0.99 Fe4 O12 Sn Y2.01 -","- Ca7.92 Fe32 O96 Sn8 Y16.08 -","8","0.0833333","","Geller, S.; Bozorth, R.M.; Gilleo, M.A.; Miller, C.E.","Crystal Chemical and Magnetic Studies of Garnet Systems M3(2+) Fe2 Sn3 O12 - Y3 Fe2 Fe3 O12","Journal of Physics and Chemistry of Solids","1959","12","","111","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541563","12.62","","12.62","","12.62","","90","","90","","90","","2009.92","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Ca2 Y (Fe3 Sn2 O12)","","- Ca2 Fe3 O12 Sn2 Y -","- Ca2.001 Fe2.999 O12 Sn2.001 Y0.999 -","- Ca16.008 Fe23.992 O96 Sn16.008 Y7.992 -","8","0.0833333","","Geller, S.; Gilleo, M.A.; Bozorth, R.M.; Miller, C.E.","Crystal chemical and magnetic studies of garnet systems M3(2+) Fe2 Sn3 O12 - Y3 Fe2 Fe3 O12","Journal of Physics and Chemistry of Solids","1960","12","","111","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541742","18.6","","5.636","","7.421","","90","","101.42","","90","","762.539","","","","","","","","","","","","","8","P 1 21 1","P 2yb","4","","Na2 Ca (Ca3 Ce) (Ti0.5 Nb0.5) (Si2 O7)2 O1.5 F2.5","","- Ca4 Ce F2.5 Na2 Nb0.5 O15.5 Si4 Ti0.5 -","- Ca4 Ce F2.5 Na2 Nb0.5 O15.5 Si4 Ti0.5 -","- Ca8 Ce2 F5 Na4 Nb O31 Si8 Ti -","2","1","","Simonov, V.I.; Belov, N.V.","Characteristics of the crystal structure of rinkite","Kristallografiya","1967","12","","848","853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541778","23.07","","4.96","","19.43","","90","","90","","90","","2223.32","","","","","","","","","","","","","6","C m c m","-C 2c 2","63","","Ca4 (Be2.5 Al1.5) (Si9 O25.5 (O H)0.5) (O H)2","","- Al1.5 Be2.5 Ca4 H2.5 O28 Si9 -","- Al1.5 Be2.5 Ca4 O28 Si9 -","- Al6 Be10 Ca16 O112 Si36 -","4","0.25","","Kharitonov, Yu.A.; Belov, N.V.; Ilyukhin, V.V.; Kuz'min, E.A.","Crystal structure of bavenite","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","87","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541991","6.42","","7.82","","12.79","","90","","108.68","","90","","608.289","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Rb2 (U O2) (N O3)4","","- N4 O14 Rb2 U -","- N4 O14 Rb2 U -","- N8 O28 Rb4 U2 -","2","0.5","","Kapshukov, I.I.; Yakovlev, G.N.; Volkov, Yu.F.; Moskvitsev, E.P.; Lebedev, I.A.","Crystal structure of uranyl tetranitrate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","94","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542126","6.39","","7.74","","12.87","","90","","107.97","","90","","605.481","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(N H4)2 U O2 (N O3)4","","- N4 O14 U -","- N4 O14 U -","- N8 O28 U2 -","2","0.5","","Kapshukov, I.I.; Volkov, Yu.F.; Lebedev, I.A.; Moskvitsev, E.P.; Yakovlev, G.N.","Crystal Structure of Uranyl Tetranitrate","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1971","12","","94","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542587","7.856","0.005","11.799","0.007","14.315","0.008","66.98","0.014","77.401","0.015","74.377","0.016","1166.6","1.2","293","2","293","2","","","","","","","Synthesized","4","P -1","-P 1","2","","","","- C25 H23 N5 O8 -","- C25 H19 N5 O8.52 -","- C50 H38 N10 O17.04 -","2","1","","Biswas, Arnab; Dubey, Mrigendra; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar","Anion triggered metallogels: demetalation and crystal growth inside the gel matrix and improvement in viscoelastic properties using Au-NPs.","Soft matter","2016","12","12","2997","3003","10.1039/c5sm02464a","","","0.71066","MoKα","","0.2665","0.1021","","","0.1971","0.2479","","","","","","1.128","","","","has coordinates","181812","2020-10-21","18:00:00",""
"1542617","15.791","0.003","5.0056","0.0006","16.133","0.003","90","","122.52","0.02","90","","1075.3","0.4","293","2","293","2","","","","","","","Synthesized","4","C 1 2 1","C 2y","5","","","","- C9 H10 N3 O5 -","- C9 H10 N3 O5 -","- C36 H40 N12 O20 -","4","1","","Dixit, Manish Kumar; Pandey, Vinay Kumar; Dubey, Mrigendra","Alkali base triggered intramolecular charge transfer metallogels based on symmetrical A-π-D-chiral-D-π-A type ligands.","Soft matter","2016","12","15","3622","3630","10.1039/c6sm00372a","","","0.71073","MoKα","","0.086","0.0554","","","0.1116","0.1324","","","","","","1.038","","","","has coordinates","182805","2020-10-21","18:00:00",""
"1543057","16.9274","0.0004","16.3647","0.0004","20.8867","0.0006","90","","103.701","0.003","90","","5621.2","0.3","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 N4 O6 S -","- C24 H44 N4 O6 S -","- C192 H352 N32 O48 S8 -","8","2","","Hiscock, Jennifer R.; Bustone, Gianluca P.; Wilson, Ben; Belsey, Kate E.; Blackholly, Laura R.","In situ modification of nanostructure configuration through the manipulation of hydrogen bonded amphiphile self-association.","Soft matter","2016","12","18","4221","","10.1039/c6sm00529b","","x-ray","1.54184","CuKα","","0.0744","0.051","","","0.1338","0.1429","","","","","","0.967","","","","has coordinates,has disorder","182804","2020-10-21","18:00:00",""
"1543058","9.22908","0.00018","7.25364","0.00012","38.9707","0.0009","90","","95.7583","0.0019","90","","2595.71","0.09","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 F6 K2 N4 O10 S2 -","- C18 H20 F6 K2 N4 O10 S2 -","- C72 H80 F24 K8 N16 O40 S8 -","4","1","","Hiscock, Jennifer R.; Bustone, Gianluca P.; Wilson, Ben; Belsey, Kate E.; Blackholly, Laura R.","In situ modification of nanostructure configuration through the manipulation of hydrogen bonded amphiphile self-association.","Soft matter","2016","12","18","4221","","10.1039/c6sm00529b","","x-ray","1.54184","CuKα","","0.0479","0.0418","","","0.1007","0.104","","","","","","1.103","","","","has coordinates","182804","2020-10-21","18:00:00",""
"1547408","14.4393","0.0007","8.1764","0.0004","21.7395","0.0013","90","","90","","90","","2566.6","0.2","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0571","0.0399","","","0.0856","0.0907","","","","","","1.185","","","","has coordinates","201410","2020-10-21","18:00:00",""
"1547409","14.4687","0.0006","8.1829","0.0009","21.8084","0.0004","90","","90","","90","","2582","0.3","175","0.2","175","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0797","0.0499","","","0.0873","0.0959","","","","","","0.97","","","","has coordinates","201411","2020-10-21","18:00:00",""
"1547410","14.4829","0.0006","8.1938","0.0003","21.8441","0.0009","90","","90","","90","","2592.24","0.18","200","0.1","200","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C8 H8.72727 N2.90909 O1.45455 S0.727273 -","- C88 H96 N32 O16 S8 -","11","2.75","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0697","0.0456","","","0.0789","0.09","","","","","","0.976","","","","has coordinates","201412","2020-10-21","18:00:00",""
"1547411","14.4899","0.0005","8.2086","0.0004","21.9106","0.0009","90","","90","","90","","2606.09","0.19","250","0.2","250","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C12.5714 H13.7143 N4.57143 O2.28571 S1.14286 -","- C88 H96 N32 O16 S8 -","7","1.75","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0643","0.0421","","","0.0721","0.0817","","","","","","0.96","","","","has coordinates","201413","2020-10-21","18:00:00",""
"1547412","14.4902","0.0009","8.2249","0.0006","22.0106","0.0014","90","","90","","90","","2623.2","0.3","293","0.2","293","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0773","0.0487","","","0.0926","0.111","","","","","","0.95","","","","has coordinates","201414","2020-10-21","18:00:00",""
"1547413","14.4588","0.0001","8.18","0.0001","21.7664","0.0002","90","","90","","90","","2574.38","0.04","150","","150","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0524","0.0433","","","0.1051","0.1141","","","","","","1.054","","","","has coordinates","201415","2020-10-21","18:00:00",""
"1547414","14.4597","0.0001","8.1802","0.0001","21.7812","0.0002","90","","90","","90","","2576.35","0.04","160","","160","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0533","0.044","","","0.107","0.1156","","","","","","1.068","","","","has coordinates","201416","2020-10-21","18:00:00",""
"1547415","14.4638","0.0001","8.1835","0.0001","21.7953","0.0002","90","","90","","90","","2579.79","0.04","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0539","0.0443","","","0.1097","0.1175","","","","","","1.071","","","","has coordinates","201417","2020-10-21","18:00:00",""
"1547416","14.4666","0.0001","8.1868","0.0001","21.8103","0.0002","90","","90","","90","","2583.11","0.04","180","","180","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0549","0.0444","","","0.1063","0.1145","","","","","","1.027","","","","has coordinates","201418","2020-10-21","18:00:00",""
"1547417","14.4701","0.0001","8.1889","0.0001","21.8216","0.0004","90","","90","","90","","2585.73","0.06","190","","190","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0626","0.0481","","","0.1118","0.1319","","","","","","1.076","","","","has coordinates","201419","2020-10-21","18:00:00",""
"1547418","14.4734","0.0001","8.1921","0.0001","21.8397","0.0003","90","","90","","90","","2589.48","0.05","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.057","0.0451","","","0.1075","0.1178","","","","","","1.032","","","","has coordinates","201420","2020-10-21","18:00:00",""
"1547419","14.4763","0.0002","8.1946","0.0001","21.8522","0.0004","90","","90","","90","","2592.27","0.07","210","","210","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0676","0.0505","","","0.1157","0.1389","","","","","","1.09","","","","has coordinates","201421","2020-10-21","18:00:00",""
"1547420","14.4795","0.0001","8.1974","0.0001","21.8693","0.0003","90","","90","","90","","2595.76","0.05","220","","220","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0595","0.0453","","","0.1081","0.1195","","","","","","1.022","","","","has coordinates","201422","2020-10-21","18:00:00",""
"1547421","14.4814","0.0001","8.1993","0.0001","21.8844","0.0003","90","","90","","90","","2598.5","0.05","230","","230","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.062","0.0463","","","0.1094","0.1215","","","","","","1.023","","","","has coordinates","201423","2020-10-21","18:00:00",""
"1547422","14.4852","0.0001","8.202","0.0001","21.9002","0.0003","90","","90","","90","","2601.91","0.05","240","","240","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0644","0.0473","","","0.1115","0.125","","","","","","1.035","","","","has coordinates","201424","2020-10-21","18:00:00",""
"1547423","14.4884","0.0001","8.2048","0.0001","21.9167","0.0003","90","","90","","90","","2605.34","0.05","250","","250","","","","","","","","","5","P n a 21","P 2c -2n","33","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.066","0.0477","","","0.1115","0.1247","","","","","","1.027","","","","has coordinates","201425","2020-10-21","18:00:00",""
"1547424","14.4914","0.0001","8.2069","0.0001","21.9332","0.0003","90","","90","","90","","2608.5","0.05","260","","260","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0674","0.0476","","","0.1103","0.1257","","","","","","1.015","","","","has coordinates","201426","2020-10-21","18:00:00",""
"1547425","14.495","0.0001","8.2094","0.0001","21.9489","0.0003","90","","90","","90","","2611.81","0.05","270","","270","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0702","0.0487","","","0.1123","0.1292","","","","","","1.031","","","","has coordinates","201427","2020-10-21","18:00:00",""
"1547426","14.4973","0.0002","8.2118","0.0001","21.9658","0.0003","90","","90","","90","","2615","0.06","280","","280","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0722","0.0493","","","0.1132","0.1301","","","","","","1.025","","","","has coordinates","201428","2020-10-21","18:00:00",""
"1547427","14.5008","0.0002","8.2141","0.0001","21.9821","0.0004","90","","90","","90","","2618.31","0.07","290","","290","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0753","0.0501","","","0.1152","0.133","","","","","","1.032","","","","has coordinates","201429","2020-10-21","18:00:00",""
"1547428","14.504","0.0002","8.2162","0.0001","21.9984","0.0004","90","","90","","90","","2621.5","0.07","300","","300","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","2","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0774","0.0498","","","0.1382","0.1661","","","","","","0.933","","","","has coordinates","201430","2020-10-21","18:00:00",""
"1547429","9.0785","0.0002","11.5265","0.0003","22.8581","0.0006","90","","90","","90","","2391.95","0.1","149.4","0.9","149.4","0.9","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.043","0.0362","","","0.0964","0.1012","","","","","","1.096","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547430","9.0963","0.0002","11.5574","0.0003","22.8612","0.0007","90","","90","","90","","2403.39","0.11","174.9","0.3","174.9","0.3","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0465","0.0374","","","0.0962","0.1021","","","","","","1.056","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547431","9.0885","0.0006","11.5482","0.0007","22.7898","0.0012","90","","90","","90","","2391.9","0.2","184.9","0.1","184.9","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0534","0.0399","","","0.0932","0.1003","","","","","","1.064","","","","has coordinates","201433","2020-10-21","18:00:00",""
"1547432","9.0907","0.0003","11.5779","0.0004","22.8104","0.0007","90","","90","","90","","2400.82","0.14","199","0.1","199","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0465","0.0373","","","0.0954","0.1017","","","","","","1.029","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547433","9.1074","0.0003","11.6193","0.0005","22.8456","0.0009","90","","90","","90","","2417.56","0.16","229.9","0.1","229.9","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0635","0.0435","","","0.1001","0.1113","","","","","","1.08","","","","has coordinates","201435","2020-10-21","18:00:00",""
"1547434","9.1228","0.0004","11.6522","0.0006","22.8488","0.001","90","","90","","90","","2428.8","0.2","260","0.1","260","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0661","0.0449","","","0.1015","0.1148","","","","","","1.088","","","","has coordinates","201436","2020-10-21","18:00:00",""
"1547435","9.1349","0.0003","11.6868","0.0004","22.866","0.0008","90","","90","","90","","2441.12","0.14","298","0.1","298","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.71073","MoKα","","0.0597","0.043","","","0.1031","0.1136","","","","","","1.016","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1547436","9.0823","0.0003","11.5422","0.0002","22.8439","0.0003","90","","90","","90","","2394.72","0.09","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0614","0.044","","","0.1026","0.1132","","","","","","1.001","","","","has coordinates","201438","2020-10-21","18:00:00",""
"1547437","9.0881","0.0003","11.5538","0.0002","22.8478","0.0003","90","","90","","90","","2399.07","0.09","160","","160","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.062","0.0441","","","0.1028","0.1149","","","","","","1","","","","has coordinates","201439","2020-10-21","18:00:00",""
"1547438","9.0992","0.0004","11.5635","0.0003","22.8525","0.0006","90","","90","","90","","2404.51","0.14","170","","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0882","0.0586","","","0.1357","0.1542","","","","","","1.09","","","","has coordinates","201440","2020-10-21","18:00:00",""
"1547439","9.0972","0.0002","11.5751","0.0002","22.8531","0.0003","90","","90","","90","","2406.45","0.07","180","","180","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0653","0.0458","","","0.1047","0.1175","","","","","","0.992","","","","has coordinates","201441","2020-10-21","18:00:00",""
"1547440","9.1048","0.0003","11.5802","0.0003","22.8576","0.0006","90","","90","","90","","2410","0.12","185","","185","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0902","0.0578","","","0.1234","0.1463","","","","","","0.979","","","","has coordinates","201442","2020-10-21","18:00:00",""
"1547441","9.1064","0.0003","11.5845","0.0003","22.8569","0.0006","90","","90","","90","","2411.25","0.12","190","","190","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0879","0.0567","","","0.1242","0.1458","","","","","","0.985","","","","has coordinates","201443","2020-10-21","18:00:00",""
"1547442","9.107","0.0003","11.5902","0.0003","22.8593","0.0006","90","","90","","90","","2412.84","0.12","195","","195","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0932","0.0613","","","0.1359","0.1578","","","","","","1.042","","","","has coordinates","201444","2020-10-21","18:00:00",""
"1547443","9.1066","0.0002","11.5983","0.0002","22.8627","0.0003","90","","90","","90","","2414.78","0.07","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0673","0.0478","","","0.1107","0.1231","","","","","","1.001","","","","has coordinates","201445","2020-10-21","18:00:00",""
"1547444","9.1158","0.0002","11.6222","0.0002","22.8715","0.0003","90","","90","","90","","2423.14","0.07","220","","220","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0691","0.0459","","","0.1065","0.1211","","","","","","0.974","","","","has coordinates","201446","2020-10-21","18:00:00",""
"1547445","9.12","0.0003","11.6339","0.0003","22.8697","0.0004","90","","90","","90","","2426.5","0.11","230","","230","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0842","0.0545","","","0.1199","0.14","","","","","","0.992","","","","has coordinates","201447","2020-10-21","18:00:00",""
"1547446","9.1237","0.0002","11.6442","0.0002","22.8738","0.0004","90","","90","","90","","2430.07","0.08","240","","240","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.072","0.0482","","","0.1087","0.1244","","","","","","0.971","","","","has coordinates","201448","2020-10-21","18:00:00",""
"1547447","9.128","0.0003","11.6579","0.0003","22.8759","0.0005","90","","90","","90","","2434.3","0.11","250","","250","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0868","0.0538","","","0.118","0.1449","","","","","","0.996","","","","has coordinates","201449","2020-10-21","18:00:00",""
"1547448","9.1311","0.0003","11.6667","0.0002","22.88","0.0004","90","","90","","90","","2437.4","0.1","260","","260","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0767","0.0506","","","0.114","0.1323","","","","","","0.986","","","","has coordinates","201450","2020-10-21","18:00:00",""
"1547449","9.1357","0.0003","11.6782","0.0003","22.8834","0.0006","90","","90","","90","","2441.4","0.12","270","","270","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0942","0.0586","","","0.1357","0.1591","","","","","","1.038","","","","has coordinates","201451","2020-10-21","18:00:00",""
"1547450","9.1405","0.0003","11.6923","0.0002","22.8838","0.0004","90","","90","","90","","2445.67","0.1","280","","280","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0907","0.0605","","","0.1339","0.1558","","","","","","1.04","","","","has coordinates","201452","2020-10-21","18:00:00",""
"1547451","9.1415","0.0004","11.7002","0.0004","22.8837","0.0006","90","","90","","90","","2447.58","0.15","290","","290","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.1078","0.068","","","0.1474","0.1753","","","","","","1.064","","","","has coordinates","201453","2020-10-21","18:00:00",""
"1547452","9.1445","0.0003","11.713","0.0003","22.8862","0.0005","90","","90","","90","","2451.33","0.12","300","","300","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Sulfamerazine","4-amino-N-(4-methylpyrimidin-2-yl)","","- C11 H12 N4 O2 S -","- C11 H12 N4 O2 S -","- C88 H96 N32 O16 S8 -","8","1","","Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben","Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics","Molecular Pharmaceutics","2015","12","","3735","3748","10.1021/acs.molpharmaceut.5b00504","","","0.6889","Synchrotron","","0.0971","0.0635","","","0.1419","0.1646","","","","","","1.037","","","","has coordinates","201454","2020-10-21","18:00:00",""
"1548806","3.807","0.001","3.807","0.001","6.128","0.001","90","","90","","120","","76.92","0.03","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Tin Selenide","","- Se2 Sn -","- Se2 Sn -","- Se2 Sn -","1","0.0833333","","Al-Alamy, F. A. S.; Balchin, A. A.; White, M.","The expansivities and the thermal degradation of some layer compounds","Journal of Materials Science","1977","12","10","2037","2042","10.1007/bf00561976","","","","","","","","","","","","","","","","","","","","","has coordinates","256729","2020-10-21","18:00:00",""
"1552748","12.248","0.003","7.6422","0.0018","15.829","0.004","90","","104.923","0.004","90","","1431.6","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Br2 Cu2 N2 O14 S2 -","- C20 H28 Br2 Cu2 N2 O14 S2 -","- C40 H56 Br4 Cu4 N4 O28 S4 -","2","0.5","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.0401","0.0332","","","0.0865","0.0896","","","","","","1.059","","","","has coordinates","247765","2020-10-21","18:00:00",""
"1552749","15.5234","0.0007","19.2687","0.0005","19.1761","0.0008","90","","112.933","0.005","90","","5282.5","0.4","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H26 Br Co N3 O7 S -","- C24 H26 Br Co N3 O7 S -","- C192 H208 Br8 Co8 N24 O56 S8 -","8","1","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.0613","0.0428","","","0.0998","0.1103","","","","","","1.012","","","","has coordinates","247765","2020-10-21","18:00:00",""
"1552750","15.516","0.008","13.3471","0.0007","11.7999","0.0009","90","","100.625","0.019","90","","2401.8","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br Cu N3 O6 S -","- C23 H22 Br Cu N3 O6 S -","- C92 H88 Br4 Cu4 N12 O24 S4 -","4","1","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.1061","0.0647","","","0.1543","0.182","","","","","","1.032","","","","has coordinates","247765","2020-10-21","18:00:00",""
"1552917","18.2211","0.001","18.9776","0.001","11.15","0.0006","90","","90","","90","","3855.6","0.4","200","1","200","1","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C34 H31 Au Cl4 F3 N4 O3 S3 -","- C34 H31 Au Cl4 F3 N4 O3 S3 -","- C136 H124 Au4 Cl16 F12 N16 O12 S12 -","4","1","","Yu, Bingqiong; Liu, Yanhong; Peng, Xian; Hua, Siyu; Zhou, Gangcheng; Yan, Kun; Liu, Yi","Synthesis, characterization, and antitumor properties of Au(i)-thiourea complexes.","Metallomics : integrated biometal science","2020","12","1","104","113","10.1039/c9mt00232d","","","0.71073","MoKα","","0.0401","0.0274","","","0.0712","0.0762","","","","","","1.033","","","","has coordinates","247764","2020-10-21","18:00:00",""
"1556118","15.411","0.006","10.323","0.004","30.625","0.013","90","","103.583","0.006","90","","4736","3","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","boeyz04","","","- C27 H31 N O4 -","- C27 H31 N O4 -","- C216 H248 N8 O32 -","8","2","","Boeckman, Jr, Robert K; Miller, Yan; Ryder, Todd R.","Diels-Alder reactions of cyclic isoimidium salts.","Organic letters","2010","12","20","4524","4527","10.1021/ol101831b","","","0.71073","MoKα","","0.0766","0.056","","","0.1172","0.1271","","","","","","1.058","","","","has coordinates","243480","2020-10-21","18:00:00",""
"1556119","5.2334","0.0007","15.5632","0.0019","11.7443","0.0015","90","","91.016","0.002","90","","956.4","0.2","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","boeyz10","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Boeckman, Jr, Robert K; Miller, Yan; Ryder, Todd R.","Diels-Alder reactions of cyclic isoimidium salts.","Organic letters","2010","12","20","4524","4527","10.1021/ol101831b","","","0.71073","MoKα","","0.0505","0.0394","","","0.1054","0.1137","","","","","","1.032","","","","has coordinates","243481","2020-10-21","18:00:00",""
"1556120","8.715","0.002","9.891","0.002","19.206","0.005","90","","90","","90","","1655.6","0.7","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","boeyz03","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Boeckman, Jr, Robert K; Miller, Yan; Ryder, Todd R.","Diels-Alder reactions of cyclic isoimidium salts.","Organic letters","2010","12","20","4524","4527","10.1021/ol101831b","","","0.71073","MoKα","","0.046","0.0368","","","0.0904","0.0956","","","","","","1.027","","","","has coordinates","243482","2020-10-21","18:00:00",""
"1556121","9.4597","0.0005","10.0663","0.0005","23.0589","0.0012","90","","90","","90","","2195.8","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","boeyz01","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C108 H116 N4 O12 -","4","1","","Boeckman, Jr, Robert K; Miller, Yan; Ryder, Todd R.","Diels-Alder reactions of cyclic isoimidium salts.","Organic letters","2010","12","20","4524","4527","10.1021/ol101831b","","","0.71073","MoKα","","0.0459","0.0359","","","0.088","0.0937","","","","","","1.026","","","","has coordinates","243483","2020-10-21","18:00:00",""
"1556122","8.5828","0.0015","13.808","0.002","19.023","0.003","90","","90","","90","","2254.4","0.6","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","boeyz09","","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C104 H124 N4 O12 -","4","1","","Boeckman, Jr, Robert K; Miller, Yan; Ryder, Todd R.","Diels-Alder reactions of cyclic isoimidium salts.","Organic letters","2010","12","20","4524","4527","10.1021/ol101831b","","","0.71073","MoKα","","0.0394","0.0342","","","0.0875","0.0912","","","","","","1.04","","","","has coordinates","243484","2020-10-21","18:00:00",""
"1556541","57.47","0.005","33.556","0.003","39.361","0.007","90","","122.967","0.001","90","","63684","14","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C173 H189 Ag28 Mo4 O21 P12 -","- C173 H189 Ag28 Mo4 O21 P12 -","- C1384 H1512 Ag224 Mo32 O168 P96 -","8","1","","Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing","Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.","Nanoscale","2020","12","3","1617","1622","10.1039/c9nr07779k","","","0.71073","MoKα","","0.1798","0.1177","","","0.3143","0.3572","","","","","","1.007","","","","has coordinates","247766","2020-10-21","18:00:00",""
"1556542","41.161","0.003","24.6172","0.0013","40.061","0.002","90","","103.141","0.002","90","","39530","4","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C337 H339 Ag32 Mo4 N3 O26 P24 -","- C337 H339 Ag32 Mo4 N3 O26 P24 -","- C1348 H1356 Ag128 Mo16 N12 O104 P96 -","4","1","","Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing","Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.","Nanoscale","2020","12","3","1617","1622","10.1039/c9nr07779k","","","0.6525","synchrotron","","0.0819","0.0674","","","0.1802","0.1938","","","","","","1.029","","","","has coordinates,has disorder","247766","2020-10-21","18:00:00",""
"1556543","57.246","0.003","33.4588","0.0016","38.553","0.004","90","","120.882","0.001","90","","63375","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H170 Ag28 O17 P12 W4 -","- C168 H170 Ag28 O17 P12 W4 -","- C1344 H1360 Ag224 O136 P96 W32 -","8","1","","Duan, Guang-Xiong; Han, Jun; Yang, Bao-Zhu; Xie, Yun-Peng; Lu, Xing","Oxometalate and phosphine ligand co-protected silver nanoclusters: Ag<sub>28</sub>(dppb)<sub>6</sub>(MO<sub>4</sub>)<sub>4</sub> and Ag<sub>32</sub>(dppb)<sub>12</sub>(MO<sub>4</sub>)<sub>4</sub>(NO<sub>3</sub>)<sub>4</sub>.","Nanoscale","2020","12","3","1617","1622","10.1039/c9nr07779k","","","0.6525","synchrotron","","0.1762","0.1214","","","0.3161","0.3674","","","","","","1.074","","","","has coordinates","247766","2020-10-21","18:00:00",""
"1556576","16.5526","0.0007","32.2692","0.0011","32.7633","0.0011","103.703","0.002","102.725","0.002","100.939","0.002","16034.9","1.1","190","1","190","1","","","","","","","","4","P -1","-P 1","2","","Cluster-1","","- C280 H378 O238 Yb42 -","- C280 H378 O238 Yb42 -","- C280 H378 O238 Yb42 -","1","0.5","","Shi, Dongliang; Yang, Xiaoping; Xiao, Zhiyin; Liu, Xiaoming; Chen, Hongfen; Ma, Yanan; Schipper, Desmond; Jones, Richard A.","A 42-metal Yb(iii) nanowheel with NIR luminescent response to anions.","Nanoscale","2020","12","3","1384","1388","10.1039/c9nr09151c","","","0.71073","MoKα","","0.1649","0.0824","","","0.1869","0.2143","","","","","","0.83","","","","has coordinates","247767","2020-10-21","18:00:00",""
"1556887","19.597","0.0006","19.597","0.0006","36.7108","0.0015","90","","90","","90","","14098.5","0.8","180.15","","180.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C40 H48 B2 Ca F48 O16 -","- C40 H48 B2 Ca F48 O16 -","- C320 H384 B16 Ca8 F384 O128 -","8","0.5","","Li, Zhenyou; Fuhr, Olaf; Fichtner, Maximilian; Zhao-Karger, Zhirong","Towards stable and efficient electrolytes for room-temperature rechargeable calcium batteries","Energy & Environmental Science","2019","12","12","3496","","10.1039/C9EE01699F","","x-ray","0.71073","MoKα","","0.1065","0.0898","","","0.2536","0.2684","","","","","","1.224","","","","has coordinates","246385","2020-10-21","18:00:00",""
"1557342","6.5602","0.0004","14.7939","0.0009","14.8216","0.0009","90","","91.727","0.005","90","","1437.8","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H14 O -","- C22 H14 O -","- C88 H56 O4 -","4","2","","Huang, Yue-E; Wang, Xing-Zhi; Hu, Peng; Qi, Xing-Hui; Huang, Xiao-Ying; Kloc, Christian; Wu, Xiaohui; Du, Ke-Zhao","Single-photon upconversion in 6-pentaceneone crystal from bulk to ultrathin flakes.","Nanoscale","2020","12","11","6227","6232","10.1039/d0nr00306a","","","0.71073","MoKα","","0.1125","0.0588","","","0.1493","0.1827","","","","","","1.034","","","","has coordinates","250330","2020-10-21","18:00:00",""
"1557465","6.1391","0.0001","15.1547","0.0002","11.9272","0.0002","90","","94.63","0.001","90","","1106.04","0.03","149.99","0.1","149.99","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 -","- C32 H20 -","- C64 H40 -","2","0.5","","Ma, Xiaoshuang; Tang, Zhenghua; Qin, Lubing; Peng, Jin; Li, Ligui; Chen, Shaowei","Unravelling the formation mechanism of alkynyl protected gold clusters: a case study of phenylacetylene stabilized Au<sub>144</sub> molecules.","Nanoscale","2020","12","5","2980","2986","10.1039/c9nr10930g","","x-ray","1.54184","CuKα","","0.0594","0.0558","","","0.1413","0.1479","","","","","","1.04","","","","has coordinates","248778","2020-10-21","18:00:00",""
"1557466","28.0519","0.001","28.0519","0.001","9.7811","0.0007","90","","90","","90","","7696.8","0.7","293","2","293","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C48 H16 Co3 O24 -","- C48 H16 Co3 O24 -","- C192 H64 Co12 O96 -","4","0.25","","Zhao, Juanjuan; Hu, Haibo; Wu, Mingzai","N-Doped-carbon/cobalt-nanoparticle/N-doped-carbon multi-layer sandwich nanohybrids derived from cobalt MOFs having 3D molecular structures as bifunctional electrocatalysts for on-chip solid-state Zn-air batteries.","Nanoscale","2020","12","6","3750","3762","10.1039/c9nr09779a","","","0.71073","MoKα","","0.0533","0.0477","","","0.1184","0.1213","","","","","","1.091","","","","has coordinates,has disorder","248779","2020-10-21","18:00:00",""
"1557514","7.0581","0.0005","11.6424","0.0007","9.2407","0.0006","90","","103.046","0.007","90","","739.74","0.09","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C7 H3 K N O4 -","- C7 H3 K N O4 -","- C28 H12 K4 N4 O16 -","4","0.5","","Li, Chao; Wang, Kuaibing; Li, Jingze; Zhang, Qichun","Nanostructured potassium-organic framework as an effective anode for potassium-ion batteries with a long cycle life.","Nanoscale","2020","12","14","7870","7874","10.1039/d0nr00964d","","","0.71073","MoKα","","0.0413","0.0348","","","0.0916","0.0984","","","","","","1.212","","","","has coordinates","251678","2020-10-21","18:00:00",""
"1557515","11.098","0.002","11.0981","0.0009","42.151","0.008","91.082","0.009","97.39","0.01","115.846","0.008","4617.1","1.3","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C102 H110 Li4 N6 O18 -","- C102 H110 Li4 N6 O18 -","- C204 H220 Li8 N12 O36 -","2","1","","Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Lemouchi, Cyprien; Allain, Magali; Zorina, Leokadiya; Batail, Patrick","Nanoscale rotational dynamics of four independent rotators confined in crowded crystalline layers.","Nanoscale","2020","12","15","8294","8302","10.1039/d0nr00858c","","x-ray","0.71073","MoKα","","0.1252","0.0735","","","0.1832","0.2109","","","","","","1.013","","","","has coordinates,has disorder","251679","2020-10-21","18:00:00",""
"1557562","14.5564","0.0011","33.71","0.003","14.6416","0.0011","90","","94.219","0.001","90","","7165.1","1","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H76 Ag3 Cl2 Cu2 P S6 -","- C73 H76 Ag3 Cl2 Cu2 P S6 -","- C292 H304 Ag12 Cl8 Cu8 P4 S24 -","4","1","","Anumula, Rajini; Xiao, Pin; Cui, Chaonan; Wu, Haiming; Cui, Ganglong; Fang, Wei-Hai; Luo, Zhixun; Yao, Jiannian","A small bimetallic Ag<sub>3</sub>Cu<sub>2</sub> nanocluster with dual emissions within and against Kasha's rule.","Nanoscale","2020","12","14","7864","7869","10.1039/d0nr00471e","","","0.71073","MoKα","","0.0529","0.0494","","","0.1095","0.1117","","","","","","1.134","","","","has coordinates","251677","2020-10-21","18:00:00",""
"1557709","41.6063","0.0014","41.6063","0.0014","41.6063","0.0014","90","","90","","90","","72024","4","120","2","120","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C288 H330 Cu2 Na2 O496 P6 W72 -","- C288 H330 Cu2 Na1.9998 O496 P6 W72 -","- C1152 H1320 Cu8 Na7.9992 O1984 P24 W288 -","4","0.166667","","Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong","A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate.","Nanoscale","2020","12","18","10166","10171","10.1039/d0nr00973c","","","0.71073","MoKα","","0.0365","0.0328","","","0.0918","0.0939","","","","","","1.045","","","","has coordinates,has disorder","252852","2020-10-21","18:00:00",""
"1557710","41.7665","0.0008","41.7665","0.0008","41.7665","0.0008","90","","90","","90","","72859","2","120","2","120.01","","","","","","","","","7","I 2 3","I 2 2 3","197","","","","- C144 H165 Co Na O252 P3 W36 -","- C144 H165 Co Na O252 P3 W36 -","- C1152 H1320 Co8 Na8 O2016 P24 W288 -","8","0.333333","","Jiang, Zhan-Guo; Mao, Wei-Tao; Huang, Dan-Ping; Wang, Yu; Wang, Xiao-Juan; Zhan, Cai-Hong","A nonconventional host-guest cubic assembly based on γ-cyclodextrin and a Keggin-type polyoxometalate.","Nanoscale","2020","12","18","10166","10171","10.1039/d0nr00973c","","","0.71073","MoKα","","0.0433","0.0374","","","0.0999","0.1043","","","","","","1.046","","","","has coordinates","252852","2020-10-21","18:00:00",""
"1557725","7.7554","0.001","13.9099","0.0018","27.058","0.003","90","","92.8263","0.0019","90","","2915.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SEH136 [H2MeThiazole][RuCl4(2MeThiazole)2]","","","- C10.67 H14 Cl4 N2.67 Ru S2.67 -","- C10.6667 H14 Cl4 N2.66667 Ru S2.66667 -","- C64 H84 Cl24 N16 Ru6 S16 -","6","1.5","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0401","0.0313","","","0.0656","0.0689","","","","","","1.026","","","","has coordinates","251676","2020-10-21","18:00:00",""
"1557726","8.0381","0.0003","8.1691","0.0003","8.3951","0.0003","85.2736","0.0016","71.5044","0.0015","61.7748","0.0014","459.11","0.03","100","2","100","2","","","","","","","","7","P 1","P 1","1","Webb/GKY-41 [HMeThia][RuCl4(dmso)(MeThia)]","","","- C10 H17 Cl4 N2 O Ru S3 -","- C10 H17 Cl4 N2 O Ru S3 -","- C10 H17 Cl4 N2 O Ru S3 -","1","1","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0179","0.0179","","","0.0494","0.0495","","","","","","1.059","","","","has coordinates","251676","2020-10-21","18:00:00",""
"1557727","10.805","0.0006","10.9929","0.0006","17.0331","0.001","90","","101.318","0.004","90","","1983.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Webb/SF-53-17 [NH2thiazolium][RuCl4(DMSO)(NH2Thiazole)] from MeOH/Ether","","","- C9.44 H19.44 Cl4 N4 O1.78 Ru S3 -","- C9.4338 H19.432 Cl4 N4 O1.7822 Ru S3 -","- C37.7352 H77.728 Cl16 N16 O7.1288 Ru4 S12 -","4","1","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0339","0.0247","","","0.0541","0.058","","","","","","1.04","","","","has coordinates,has disorder","251676","2020-10-21","18:00:00",""
"1557783","15.1713","0.0005","14.8958","0.0004","22.0423","0.0012","90","","106.726","0.004","90","","4770.6","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H83 Cl4 Mo4 N12 O16 -","- C86 H83 Cl4 Mo4 N12 O16 -","- C172 H166 Cl8 Mo8 N24 O32 -","2","0.5","","Meng, Miao; Tang, Zheng; Mallick, Suman; Luo, Ming Hui; Tan, Zhibing; Liu, Jun-Yang; Shi, Jia; Yang, Yang; Liu, Chun Y.; Hong, Wenjing","Enhanced charge transport via d(δ)-p(π) conjugation in Mo<sub>2</sub>-integrated single-molecule junctions.","Nanoscale","2020","12","18","10320","10327","10.1039/d0nr00195c","","x-ray","1.54184","CuKα","","0.1257","0.1024","","","0.2697","0.286","","","","","","1.11","","","","has coordinates,has disorder","252853","2020-10-21","18:00:00",""
"1557784","12.1607","0.0014","12.8866","0.0016","13.626","0.0012","76.922","0.009","89.914","0.008","69.182","0.011","1936.8","0.4","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Mo2 N6 O8 -","- C42 H38 Mo2 N6 O8 -","- C84 H76 Mo4 N12 O16 -","2","1","","Meng, Miao; Tang, Zheng; Mallick, Suman; Luo, Ming Hui; Tan, Zhibing; Liu, Jun-Yang; Shi, Jia; Yang, Yang; Liu, Chun Y.; Hong, Wenjing","Enhanced charge transport via d(δ)-p(π) conjugation in Mo<sub>2</sub>-integrated single-molecule junctions.","Nanoscale","2020","12","18","10320","10327","10.1039/d0nr00195c","","x-ray","1.54184","CuKα","","0.1569","0.1007","","","0.2518","0.2858","","","","","","1.124","","","","has coordinates,has disorder","252853","2020-10-21","18:00:00",""
"1557794","31.3413","0.0007","31.3413","0.0007","31.3413","0.0007","90","","90","","90","","30785.8","1.2","173","2","173","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C10 H2 In N4 O8 -","- C10 H2 In N4 O8 -","- C480 H96 In48 N192 O384 -","48","0.5","","Huang, Qi; Guo, Yuanyuan; Wang, Xian; Chai, Lulu; Ding, Junyang; Zhong, Li; Li, Ting-Ting; Hu, Yue; Qian, Jinjie; Huang, Shaoming","In-MOF-derived ultrathin heteroatom-doped carbon nanosheets for improving oxygen reduction.","Nanoscale","2020","12","18","10019","10025","10.1039/d0nr02007a","","","1.54184","CuKα","","0.1028","0.0686","","","0.216","0.2453","","","","","","1.097","","","","has coordinates,has disorder","252851","2020-10-21","18:00:00",""
"1557815","13.6605","0.0017","14.7195","0.0018","17.277","0.002","86.231","0.005","68.978","0.005","80.007","0.005","3193.5","0.7","140","","143.99","","","","","","","","","4","P -1","-P 1","2","","Spiro-OMeTAD","","- C81 H68 N4 O8 -","- C81 H68 N4 O8 -","- C162 H136 N8 O16 -","2","1","","Li, Yin-Xiang; Dong, Xue-Mei; Yu, Meng-Na; Liu, Wei; Nie, Yi-Jie; Eginligil, Mustafa; Liu, Ju-Qing; Jiang, Wen-Jie; Wang, Xiao-Jing; Xu, Chun-Xiang; Xie, Ling-Hai; Huang, Wei","Enhanced emission in organic nanocrystals via asymmetrical design of spirocyclic aromatic hydrocarbons.","Nanoscale","2020","12","18","9964","9968","10.1039/d0nr01436b","","","1.54178","CuKα","","0.0445","0.0414","","","0.1052","0.1079","","","","","","1.0467","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557816","10.556","0.002","16.36","0.003","20.984","0.003","68.742","0.012","80.019","0.013","71.824","0.014","3201.3","1","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C81 H68 N4 O9 -","- C81 H68 N4 O9 -","- C162 H136 N8 O18 -","2","1","","Li, Yin-Xiang; Dong, Xue-Mei; Yu, Meng-Na; Liu, Wei; Nie, Yi-Jie; Eginligil, Mustafa; Liu, Ju-Qing; Jiang, Wen-Jie; Wang, Xiao-Jing; Xu, Chun-Xiang; Xie, Ling-Hai; Huang, Wei","Enhanced emission in organic nanocrystals via asymmetrical design of spirocyclic aromatic hydrocarbons.","Nanoscale","2020","12","18","9964","9968","10.1039/d0nr01436b","","","1.54178","CuKα","","0.1074","0.0917","","","0.1725","0.1796","","","","","","1.19","","","","has coordinates","252854","2020-10-21","18:00:00",""
"1557975","11.30672","0.0001","15.29988","0.00014","15.58799","0.00014","63.3059","0.0009","87.7117","0.0007","83.0788","0.0007","2391.32","0.04","200.01","0.1","200.01","0.1","","","","","","","","7","P -1","-P 1","2","","Ag10-Mo6","","- C44 H84 Ag10 Mo12 N10 O38 S6 -","- C44 H84 Ag10 Mo12 N10 O38 S6 -","- C44 H84 Ag10 Mo12 N10 O38 S6 -","1","0.5","","Li, Ya-Hui; Wang, Zhao-Yang; Ma, Bing; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W.","Self-assembly of thiolate-protected silver coordination polymers regulated by POMs.","Nanoscale","2020","12","20","10944","10948","10.1039/d0nr00342e","","x-ray","1.54184","CuKα","","0.0461","0.0443","","","0.1126","0.1145","","","","","","1.08","","","","has coordinates","252849","2020-10-21","18:00:00",""
"1557976","27.3167","0.0002","19.80926","0.00014","27.71777","0.00016","90","","90","","90","","14998.7","0.18","200","0.1","200","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","Ag18-Mo6","","- C62 H129 Ag18 Mo18 N7 O57 S12 -","- C62 H129 Ag18 Mo18 N7 O57 S12 -","- C248 H516 Ag72 Mo72 N28 O228 S48 -","4","0.5","","Li, Ya-Hui; Wang, Zhao-Yang; Ma, Bing; Xu, Hong; Zang, Shuang-Quan; Mak, Thomas C. W.","Self-assembly of thiolate-protected silver coordination polymers regulated by POMs.","Nanoscale","2020","12","20","10944","10948","10.1039/d0nr00342e","","x-ray","1.54184","CuKα","","0.0545","0.0515","","","0.1275","0.1291","","","","","","1.102","","","","has coordinates,has disorder","252849","2020-10-21","18:00:00",""
"1558009","17.4894","0.0005","7.242","0.00017","20.4992","0.0005","90","","106.179","0.003","90","","2493.56","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N3 O2 -","- C12 H14 Br N3 O2 -","- C96 H112 Br8 N24 O16 -","8","2","","Bolotin, Dmitrii S.; Il’in, Mikhail V.; Suslonov, Vitalii V.; Novikov, Alexander S.","Symmetrical Noncovalent Interactions Br···Br Observed in Crystal Structure of Exotic Primary Peroxide","Symmetry","2020","12","4","637","","10.3390/sym12040637","","","0.71073","MoKα","","0.0502","0.0351","","","0.0731","0.0793","","","","","","1.03","","","","has coordinates","251784","2020-10-21","18:00:00",""
"1558024","17.7314","0.0002","17.0501","0.0002","26.7696","0.0004","90","","106.599","0.001","90","","7755.79","0.18","180","0.11","180","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H53 Dy2 N4 Ni S2 -","- C126 H53 Dy1.997 N4 Ni S2 -","- C504 H212 Dy7.988 N16 Ni4 S8 -","4","1","","Wang, Yuanyuan; Xiong, Jin; Su, Jie; Hu, Ziqi; Ma, Fang; Sun, Rong; Tan, Xueyou; Sun, Hao-Ling; Wang, Bing-Wu; Shi, Zujin; Gao, Song","Dy<sub>2</sub>@C<sub>79</sub>N: a new member of dimetalloazafullerenes with strong single molecular magnetism.","Nanoscale","2020","12","20","11130","11135","10.1039/d0nr02519d","","x-ray","0.71073","MoKα","","0.1147","0.1029","","","0.2171","0.2242","","","","","","1.061","","","","has coordinates","252848","2020-10-21","18:00:00",""
"1558025","38.5523","0.0009","38.5523","0.0009","29.1596","0.0008","90","","90","","90","","43339.3","1.9","150","2","150","2","","","","","","","","9","I 41/a :2","-I 4ad","88","","","","- C32 H318 K8 N16 Na6 O402 Pr8 Te8 W88 -","- C16 H64 K4 N8 Na4 O368 Pr8 Te8 W88 -","- C64 H256 K16 N32 Na16 O1472 Pr32 Te32 W352 -","4","0.25","","Zhang, Yan; Jiang, Jun; Liu, Yifan; Li, Pan; Liu, Yong; Chen, Lijuan; Zhao, Junwei","Multi-praseodymium-and-tungsten bridging octameric tellurotungstate and its 2D honeycomb composite film for detecting estrogen.","Nanoscale","2020","12","19","10842","10853","10.1039/d0nr01901a","","","0.71073","MoKα","","0.0416","0.037","","","0.0928","0.0957","","","","","","1.069","","","","has coordinates","252847","2020-10-21","18:00:00",""
"1558048","16.7567","0.0005","16.7567","0.0005","25.0576","0.0008","90","","90","","120","","6093.2","0.3","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C43 H121 Er3 N12 O43 Yb3 -","- C42.9962 H120.983 Er3 N12 O42.996 Yb3 -","- C128.989 H362.95 Er9 N36 O128.988 Yb9 -","3","0.166667","","Gálico, Diogo A; Ovens, Jeffrey S.; Murugesu, Muralee","NIR-to-NIR emission on a water-soluble {Er<sub>6</sub>} and {Er<sub>3</sub>Yb<sub>3</sub>} nanosized molecular wheel.","Nanoscale","2020","12","21","11435","11439","10.1039/d0nr02236e","","","0.71073","MoKα","","0.0275","0.0242","","","0.0626","0.0643","","","","","","1.065","","","","has coordinates,has disorder","252856","2020-10-21","18:00:00",""
"1558049","12.1098","0.0003","12.8247","0.0003","24.7696","0.0006","97.196","0.002","102.549","0.001","98.363","0.002","3665.67","0.16","201","2","201","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H86 Cl4 N12 O39 Yb6 -","- C40 H86 Cl4 N12 O39 Yb6 -","- C80 H172 Cl8 N24 O78 Yb12 -","2","1","","Gálico, Diogo A; Ovens, Jeffrey S.; Murugesu, Muralee","NIR-to-NIR emission on a water-soluble {Er<sub>6</sub>} and {Er<sub>3</sub>Yb<sub>3</sub>} nanosized molecular wheel.","Nanoscale","2020","12","21","11435","11439","10.1039/d0nr02236e","","","0.71073","MoKα","","0.0464","0.0363","","","0.0714","0.0749","","","","","","1.085","","","","has coordinates,has disorder","252856","2020-10-21","18:00:00",""
"1558055","7.963","0.002","8.349","0.002","9.742","0.002","90","","111.776","0.004","90","","601.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N4 -","- C16 H12 N4 -","- C32 H24 N8 -","2","0.5","","Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina","Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.","Nanoscale","2020","12","21","11601","11611","10.1039/d0nr01503b","","","0.56086","AgKα","","0.0696","0.0527","","","0.1208","0.1294","","","","","","1.106","","","","has coordinates","252855","2020-10-21","18:00:00",""
"1558056","15.6211","0.0008","21.1135","0.0012","32.721","0.003","90","","93.605","0.005","90","","10770.6","1.3","100","0.16","100","0.16","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C82 H65 Co4 N16 O12 -","- C82 H65 Co4 N16 O12 -","- C328 H260 Co16 N64 O48 -","4","1","","Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina","Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.","Nanoscale","2020","12","21","11601","11611","10.1039/d0nr01503b","","","0.71073","MoKα","","0.1772","0.1143","","","0.2778","0.3252","","","","","","0.978","","","","has coordinates","252855","2020-10-21","18:00:00",""
"1558057","19.5696","0.0002","19.5696","0.0002","26.6481","0.0004","90","","90","","90","","10205.4","0.2","100.01","0.11","100.01","0.11","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C80 H64 Co4 N16 O14 -","- C80 H64 Co4 N16 O14 -","- C320 H256 Co16 N64 O56 -","4","0.5","","Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina","Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.","Nanoscale","2020","12","21","11601","11611","10.1039/d0nr01503b","","","0.71073","MoKα","","0.0503","0.0447","","","0.1135","0.1165","","","","","","1.03","","","","has coordinates,has disorder","252855","2020-10-21","18:00:00",""
"1558081","11.76962","0.00015","15.5527","0.0002","14.3675","0.0002","90","","100.026","0.0013","90","","2589.8","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 Ag2 B2 F8 N10 O4 -","- C50 H46 Ag2 B2 F8 N10 O4 -","- C100 H92 Ag4 B4 F16 N20 O8 -","2","0.5","","Wang, Shi; Bai, Dongya; Wang, Yanbo; Fu, Jiya; Zhu, Junyan; Fang, Xiaomin","Hierarchical self-assembly of helical coordination polymers and formation of a lamellar structure via the cooperativity of two-step Ag(i) coordination and π-π interactions.","Nanoscale","2020","12","20","10972","10976","10.1039/d0nr00299b","","x-ray","1.54184","CuKα","","0.0502","0.0426","","","0.109","0.1169","","","","","","1.069","","","","has coordinates,has disorder","252850","2020-10-21","18:00:00",""
"1558086","17.1801","0.0005","17.7175","0.0005","22.9577","0.0007","95.508","0.002","90.634","0.002","106.355","0.002","6669","0.3","173.01","","173.01","","","","","","","","","6","P -1","-P 1","2","","","","- C124 H150 Au13 P3 Pd S7 -","- C124 H150 Au13 P3 Pd S7 -","- C248 H300 Au26 P6 Pd2 S14 -","2","1","","Fu, Xuemei; Lin, Xinzhang; Ren, Xiuqing; Wu, Ren'an; Liu, Chao; Huang, Jiahui","The synthesis and structure of the [PdAu<sub>13</sub>(PPh<sub>3</sub>)<sub>3</sub>(SR)<sub>7</sub>]<sup>+</sup> nanocluster.","Nanoscale","2020","12","22","11825","11829","10.1039/d0nr01356k","","","1.54178","CuKα","","0.1111","0.0818","","","0.2063","0.2372","","","","","","0.992","","","","has coordinates,has disorder","253932","2020-10-21","18:00:00",""
"1558094","11.2545","0.001","18.0672","0.0018","20.425","0.002","114.844","0.003","101.984","0.003","90.435","0.003","3665.6","0.6","200","2","200","","","","","","","","","4","P -1","-P 1","2","","Spiro-CN-OMeTAD","","- C92 H76 N6 O8 -","- C92 H76 N6 O8 -","- C184 H152 N12 O16 -","2","1","","Xu, Jianbin; Liang, Lusheng; Mai, Chi-Lun; Zhang, Zilong; Zhou, Qin; Xiong, Qiu; Zhang, Zhuangzhuang; Deng, Longhui; Gao, Peng","Lewis-base containing spiro type hole transporting materials for high-performance perovskite solar cells with efficiency approaching 20.","Nanoscale","2020","12","24","13157","13164","10.1039/d0nr01961e","","","0.71073","MoKα","","0.2339","0.0982","","","0.248","0.3236","","","","","","1.031","","","","has coordinates","253929","2020-10-21","18:00:00",""
"1558095","27.1669","0.0007","18.3273","0.0004","13.8912","0.0002","90","","90","","90","","6916.4","0.3","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","[(tBuC?CAg)2(Ag4SiW12O40)(DMSO)6]","[(tBuC?CAg)2(Ag4SiW12O40)(DMSO)6]","","- C24 H54 Ag6 O46 S6 Si W12 -","- C24 H54 Ag6 O46 S6 Si W12 -","- C96 H216 Ag24 O184 S24 Si4 W48 -","4","1","","Hu, Ting; Hu, Chunli; Li, Yuhang; Meng, Lingyi; Xie, Yiming; Liao, Mingyue; Zhong, Guiming; Lu, Can-Zhong","Synthesis and characterization of a nanocluster-based silver(i) tert-butylethynide compound with a large second-harmonic generation response.","Nanoscale","2020","12","22","11847","11857","10.1039/d0nr03364b","","","0.71073","MoKα","","0.0452","0.0359","","","0.0716","0.0761","","","","","","1.048","","","","has coordinates","253931","2020-10-21","18:00:00",""
"1558157","10.854","0.006","14.735","0.006","17.464","0.007","67.045","0.018","79.81","0.02","77.424","0.019","2497","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N4 O8 Zn -","- C22 H22 N4 O8 Zn -","- C88 H88 N16 O32 Zn4 -","4","2","","Wen, Yuehong; Liu, Qiang; Su, Shaodong; Yang, Yuying; Li, Xiaofang; Zhu, Qi-Long; Wu, Xintao","Coordination tailoring of water-labile 3D MOFs to fabricate ultrathin 2D MOF nanosheets.","Nanoscale","2020","12","24","12767","12772","10.1039/d0nr02956d","","","0.71073","MoKα","","0.1021","0.0799","","","0.1636","0.1747","","","","","","1.141","","","","has coordinates,has disorder","253930","2020-10-21","18:00:00",""
"1558279","20.0369","0.0008","20.7253","0.0013","37.5767","0.0007","91.916","0.003","97.441","0.002","118.103","0.005","13569.1","1.2","100.01","0.12","100.01","0.12","","","","","","","","4","P -1","-P 1","2","","","","- C198 H88 Au42 F66 -","- C198 H88 Au42 F66 -","- C396 H176 Au84 F132 -","2","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Liu, Zi-Rui; Wang, Quan-Ming","Homoleptic alkynyl-protected gold nanoclusters with unusual compositions and structures.","Nanoscale","2020","12","25","13346","13350","10.1039/d0nr02986f","","","1.54184","CuKα","","0.2276","0.1675","","","0.3992","0.446","","","","","","1.323","","","","has coordinates,has disorder","253933","2020-10-21","18:00:00",""
"1558280","17.5491","0.0003","38.753","0.0008","32.9349","0.001","90","","91.332","0.002","90","","22392.3","0.9","99.99","0.13","99.99","0.13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C208 H104 Au50 F26 -","- C208 H104 Au50 F26 -","- C832 H416 Au200 F104 -","4","1","","Guan, Zong-Jie; Hu, Feng; Li, Jiao-Jiao; Liu, Zi-Rui; Wang, Quan-Ming","Homoleptic alkynyl-protected gold nanoclusters with unusual compositions and structures.","Nanoscale","2020","12","25","13346","13350","10.1039/d0nr02986f","","x-ray","1.54184","CuKα","","0.1148","0.0984","","","0.2644","0.2777","","","","","","1.05","","","","has coordinates","253933","2020-10-21","18:00:00",""
"1558328","21.561","0.003","35.637","0.005","11.1216","0.0017","90","","90","","90","","8545","2","200","2","200","2","","","","","","","","5","F d d 2","F 2 -2d","43","","catena-poly[aqua(mu-4,4'-bipyridine)(mu-acetato)(uracil-1-acetato)copper(II)] trihydrate","","- C18 H22 Cu N4 O9 -","- C18 H22 Cu N4 O9 -","- C288 H352 Cu16 N64 O144 -","16","1","","Vegas, V. G.; Beobide, G.; Castillo, O.; Reyes, E.; Gómez-García, C J; Zamora, F.; Amo-Ochoa, P","A bioinspired metal-organic approach to cross-linked functional 3D nanofibrous hydro- and aero-gels with effective mixture separation of nucleobases by molecular recognition.","Nanoscale","2020","12","27","14699","14707","10.1039/d0nr04166a","","","0.71073","MoKα","","0.1089","0.057","","","0.1185","0.1395","","","","","","1.034","","","","has coordinates","255031","2020-10-21","18:00:00",""
"1558414","17.2715","0.0004","17.2715","0.0004","17.2715","0.0004","90","","90","","90","","5152.2","0.2","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-90","","","- C48 H36 N24 O12 Zn6 -","- C48 H36 N24 O12 Zn6 -","- C96 H72 N48 O24 Zn12 -","2","0.0416667","","Mengwen, Li; Ao, Shen; Yueqi, Liang; Hao, Zhen; Xiaohui, Hao; Xueliang, Liu; Xinchao, Sun; Yunxu, Yang","The selective and sensitive detection of formaldehyde by ZIF-90-LWvia aza-Cope rearrangement","Analytical Methods","2020","12","29","3748","3755","10.1039/D0AY00493F","","","","","","0.146","","","","","","","","","","","","","","","has coordinates","287156","2023-10-28","00:00:03",""
"1558534","18.6658","0.0016","21.9717","0.0019","22.0792","0.0019","71.751","0.002","67.119","0.001","68.721","0.002","7616.1","1.1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- H76 K8 N Na9 Nd2 O165 Se4 W35 -","- K8 N Na9 Nd2 O165 Se4 W35 -","- K16 N2 Na18 Nd4 O330 Se8 W70 -","2","1","","Li, Hailou; Lian, Chen; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu","Two unusual nanosized Nd<sup>3+</sup>-substituted selenotungstate aggregates simultaneously comprising lacunary Keggin and Dawson polyoxotungstate segments.","Nanoscale","2020","12","30","16091","16101","10.1039/d0nr04051g","","","0.71073","MoKα","","0.1135","0.0757","","","0.1845","0.2006","","","","","","1.062","","","","has coordinates","256127","2020-10-21","18:00:00",""
"1558535","19.6262","0.0015","28.53","0.002","30.005","0.002","90.355","0.002","99.225","0.002","94.275","0.001","16535","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H275 N7 Na4 Nd6 O310 Se6 W58 -","- C14 H54 N7 Na4 Nd6 O254 Se6 W58 -","- C28 H108 N14 Na8 Nd12 O508 Se12 W116 -","2","1","","Li, Hailou; Lian, Chen; Chen, Lijuan; Zhao, Junwei; Yang, Guo-Yu","Two unusual nanosized Nd<sup>3+</sup>-substituted selenotungstate aggregates simultaneously comprising lacunary Keggin and Dawson polyoxotungstate segments.","Nanoscale","2020","12","30","16091","16101","10.1039/d0nr04051g","","","0.71073","MoKα","","0.2362","0.1193","","","0.2551","0.2926","","","","","","1.028","","","","has coordinates","256127","2020-10-21","18:00:00",""
"1558789","22.7995","0.0008","23.4951","0.0009","24.1703","0.0006","93.532","0.002","96.446","0.002","99.054","0.003","12663.8","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- B2 H129 Na9 O216 Si4 W40 Zr8 -","- B2 Na9 O216 Si4 W40 Zr8 -","- B4 Na18 O432 Si8 W80 Zr16 -","2","1","","Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu","Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties.","Nanoscale","2020","12","35","18333","18341","10.1039/d0nr02945a","","","0.71073","MoKα","","0.1256","0.0809","","","0.221","0.2583","","","","","","1.059","","","","has coordinates","257630","2020-10-21","18:00:00",""
"1558790","44.1472","0.0014","12.5213","0.0005","41.9116","0.0014","90","","90","","90","","23167.9","1.4","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- B6 H118 Na8 O216 Si4 W40 Zr8 -","- B6 Na8 O216 Si4 W40 Zr8 -","- B24 Na32 O864 Si16 W160 Zr32 -","4","0.25","","Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu","Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties.","Nanoscale","2020","12","35","18333","18341","10.1039/d0nr02945a","","","0.71073","MoKα","","0.0871","0.067","","","0.1548","0.1668","","","","","","1.091","","","","has coordinates","257630","2020-10-21","18:00:00",""
"1558791","11.7819","0.0002","20.9415","0.0005","21.9893","0.0006","67.484","0.002","82.137","0.002","88.158","0.002","4963.5","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H88 N8 O168 Si4 W40 Zr8 -","- C6 N4 O162 Si4 W40 Zr8 -","- C6 N4 O162 Si4 W40 Zr8 -","1","0.5","","Zhang, Zhong; Wang, Yue-Lin; Liu, Yan; Huang, Sheng-Li; Yang, Guo-Yu","Three ring-shaped Zr(iv)-substituted silicotungstates: syntheses, structures and their properties.","Nanoscale","2020","12","35","18333","18341","10.1039/d0nr02945a","","","0.71073","MoKα","","0.0943","0.0759","","","0.2037","0.2197","","","","","","1.044","","","","has coordinates","257630","2020-10-21","18:00:00",""
"1559032","12.3046","0.001","8.9443","0.0008","9.132","0.0007","90","","98.241","0.007","90","","994.65","0.14","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 S2 -","- C26 H18 S2 -","- C52 H36 S4 -","2","0.5","","Dekkiche, Hervé; Gemma, Andrea; Tabatabaei, Fatemeh; Batsanov, Andrei S.; Niehaus, Thomas; Gotsmann, Bernd; Bryce, Martin R.","Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives.","Nanoscale","2020","12","36","18908","18917","10.1039/d0nr04413j","","x-ray","0.71073","MoKα","","0.0608","0.0479","","","0.1246","0.1376","","","","","","1.047","","","","has coordinates","257629","2020-10-21","18:00:00",""
"1559033","9.7811","0.0004","23.2361","0.0011","11.2452","0.0005","90","","108.171","0.002","90","","2428.29","0.19","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 S2 -","- C34 H22 S2 -","- C136 H88 S8 -","4","1","","Dekkiche, Hervé; Gemma, Andrea; Tabatabaei, Fatemeh; Batsanov, Andrei S.; Niehaus, Thomas; Gotsmann, Bernd; Bryce, Martin R.","Electronic conductance and thermopower of single-molecule junctions of oligo(phenyleneethynylene) derivatives.","Nanoscale","2020","12","36","18908","18917","10.1039/d0nr04413j","","x-ray","0.71073","MoKα","","0.072","0.0465","","","0.114","0.1245","","","","","","1.029","","","","has coordinates,has disorder","257629","2020-10-21","18:00:00",""
"1559142","18.077","0.0003","20.9593","0.0002","25.0897","0.0003","90","","106.497","0.002","90","","9114.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H140 Co Mo6 N7 O24 -","- C74 H140 Co Mo6 N7 O24 -","- C296 H560 Co4 Mo24 N28 O96 -","4","1","","Zhao, Yu; Wang, Zhifang; Gao, Jia; Zhao, Zhengfeng; Li, Xia; Wang, Ting; Cheng, Peng; Ma, Shengqian; Chen, Yao; Zhang, Zhenjie","COF-inspired fabrication of two-dimensional polyoxometalate based open frameworks for biomimetic catalysis.","Nanoscale","2020","12","41","21218","21224","10.1039/d0nr05662f","","","0.71073","MoKα","","0.056","0.0384","","","0.0864","0.0947","","","","","","1.089","","","","has coordinates,has disorder","258883","2020-11-06","12:36:49",""
"1559143","15.4385","0.0005","24.0709","0.0008","25.3004","0.0008","90","","100.116","0.003","90","","9255.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6.3 Mn0.1 Mo0.6 N0.4 O2.4 -","- C4 H6.4 Mn0.1 Mo0.6 N0.4 O2.4 -","- C160 H256 Mn4 Mo24 N16 O96 -","40","10","","Zhao, Yu; Wang, Zhifang; Gao, Jia; Zhao, Zhengfeng; Li, Xia; Wang, Ting; Cheng, Peng; Ma, Shengqian; Chen, Yao; Zhang, Zhenjie","COF-inspired fabrication of two-dimensional polyoxometalate based open frameworks for biomimetic catalysis.","Nanoscale","2020","12","41","21218","21224","10.1039/d0nr05662f","","","0.71073","MoKα","","0.0664","0.0484","","","0.1436","0.1509","","","","","","1.115","","","","has coordinates","258883","2020-11-06","12:36:49",""
"1559144","15.2358","0.0004","15.8461","0.0004","16.7025","0.0004","76.721","0.001","72.502","0.001","68.615","0.001","3548.2","0.16","90","2","90","2","","","","","","","","4","P -1","-P 1","2","C70.Cu(OEP).p-xylene","","","- C118 H59 Cu N4 -","- C118 H59 Cu N4 -","- C236 H118 Cu2 N8 -","2","1","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.0607","0.0433","","","0.1087","0.1182","","","","","","1.034","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559145","17.1062","0.001","25.99","0.0015","35.865","0.002","107.089","0.0011","90.3877","0.0011","108.007","0.001","14411","1.4","186","2","186","2","","","","","","","","4","P -1","-P 1","2","4C70.4NiOEP.6(p-xylene)","","","- C472 H236 N16 Ni4 -","- C472 H236 N16 Ni4 -","- C944 H472 N32 Ni8 -","2","1","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.1689","0.1186","","","0.3195","0.3438","","","","","","2.098","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559146","32.398","0.006","21.103","0.004","32.293","0.006","90","","90.006","0.003","90","","22079","7","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","C70.toluene","","","- C77 H8 -","- C77 H8 -","- C1848 H192 -","24","6","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.1452","0.1167","","","0.2747","0.2956","","","","","","1.039","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559147","35.187","0.004","35.564","0.004","35.852","0.004","102.301","0.002","92.802","0.002","101.834","0.002","42702","8","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H59 N4 Ni -","- C118 H59 N4 Ni -","- C2832 H1416 N96 Ni24 -","24","12","","Baldauf, Lilia M.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L.","Fullerene nanostructures: how the oblong shape of C<sub>70</sub> forms a cocrystal with an enormous asymmetric unit and related cocrystals.","Nanoscale","2020","12","39","20356","20363","10.1039/d0nr05824f","","","0.71073","MoKα","","0.2141","0.1084","","","0.2812","0.3642","","","","","","1.035","","","","has coordinates,has disorder","258884","2020-11-06","12:37:28",""
"1559277","49.281","0.02","8.517","0.003","11.787","0.004","90","","100.41","0.005","90","","4866","3","566","2","566.3","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N O2 -","- C28 H34 N O2 -","- C224 H272 N8 O16 -","8","1","","Ren, Shuyue; Jiao, Lingtai; Yang, Shiying; Zhang, Li; Song, Junke; Yu, Haoying; Wang, Jingrong; Lv, Tingting; Sun, Lan; Lu, Yang; Du, Guanhua","A Novel Co-Crystal of Bexarotene and Ligustrazine Improves Pharmacokinetics and Tissue Distribution of Bexarotene in SD Rats.","Pharmaceutics","2020","12","10","906","","10.3390/pharmaceutics12100906","","","1.54178","CuKα","","0.0804","0.0621","","","0.1693","0.1887","","","","","","0.961","","","","has coordinates","258175","2020-10-21","18:00:00",""
"1559289","57.6292","0.0015","16.977","0.0005","48.8318","0.0013","90","","115.332","0.001","90","","43182","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C230 H264 Al6 Mo90 N46 O255 -","- C205.5 H120 Al7.6 Mo91.583 N43.5 O218.42 -","- C822 H480 Al30.4 Mo366.332 N174 O873.68 -","4","1","","Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li","Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters.","Nanoscale","2020","12","39","20230","20238","10.1039/d0nr05822j","","","1.54178","CuKα","","0.0968","0.0935","","","0.3028","0.3061","","","","","","2.607","","","","has coordinates","258885","2020-11-06","12:38:28",""
"1559290","42.3973","0.0018","42.3973","0.0018","42.3973","0.0018","90","","90","","90","","76210","6","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C60 H82 Mo66 N12 O213 V11 -","- C60 H60 Mo66 N12 O213 V11 -","- C480 H480 Mo528 N96 O1704 V88 -","8","0.0416667","","Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li","Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters.","Nanoscale","2020","12","39","20230","20238","10.1039/d0nr05822j","","","0.71073","MoKα","","0.0831","0.0735","","","0.2385","0.2504","","","","","","2.251","","","","has coordinates","258885","2020-11-06","12:38:29",""
"1559291","42.593","0.002","42.593","0.002","42.593","0.002","90","","90","","90","","77271","6","240","2","240","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C60 H70 Ge9 Mo68 N12 O209 -","- C60 H60 Ge9 Mo68 N12 O209 -","- C480 H480 Ge72 Mo544 N96 O1672 -","8","0.0416667","","Yu, Fang; Luo, Benlong; Sang, Ruili; Xu, Li","Mo[O<sub>8</sub>Mo<sub>4</sub>]<sub>3</sub> Lewis acid-base cluster pairs: highly efficient and stable Lewis catalysis fields frustrated in crystalline nanoclusters.","Nanoscale","2020","12","39","20230","20238","10.1039/d0nr05822j","","","0.71073","MoKα","","0.0977","0.0727","","","0.1906","0.2035","","","","","","1.451","","","","has coordinates","258885","2020-11-06","12:38:29",""
"1559358","14.5132","0.0006","21.9543","0.0009","12.9943","0.0006","90","","94.23","0.004","90","","4129.1","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Cl2 O2 -","- C55 H40 Cl2 O2 -","- C220 H160 Cl8 O8 -","4","1","","Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya","Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues.","Chemical science","2020","12","2","552","558","10.1039/d0sc04699j","","x-ray","0.71073","MoKα","","0.069","0.048","","","0.1278","0.1397","","","","","","1.063","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559359","11.6467","0.0003","13.896","0.0004","16.8565","0.0004","92.613","0.002","102.408","0.002","104.007","0.002","2571.41","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C65 H58 Cl2 Si2 -","- C65 H58 Cl2 Si2 -","- C130 H116 Cl4 Si4 -","2","1","","Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya","Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues.","Chemical science","2020","12","2","552","558","10.1039/d0sc04699j","","x-ray","0.71073","MoKα","","0.0568","0.0464","","","0.1257","0.1329","","","","","","1.064","","","","has coordinates","267074","2021-07-05","16:51:36",""
"1559386","12.586","0.0002","15.1416","0.0002","13.4977","0.0002","90","","97.253","0.001","90","","2551.7","0.07","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 B F4 N -","- C32 H24 B F4 N -","- C128 H96 B4 F16 N4 -","4","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0515","0.0416","","","0.1063","0.1105","","","","","","1.026","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559387","11.07767","0.0002","21.641","0.0004","13.7711","0.0003","90","","101.839","0.0018","90","","3231.15","0.11","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 B Cl6 F4 N -","- C33 H22 B Cl6 F4 N -","- C132 H88 B4 Cl24 F16 N4 -","4","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","","1.54184","CuKα","","0.0848","0.0695","","","0.183","0.1947","","","","","","1.074","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559388","8.5484","0.0005","11.4387","0.0006","13.608","0.0009","103.553","0.005","90.551","0.005","98.266","0.005","1278.84","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 F6 N P -","- C31 H22 F6 N P -","- C62 H44 F12 N2 P2 -","2","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0492","0.0362","","","0.0939","0.1006","","","","","","1.024","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559389","8.4537","0.0006","11.0248","0.0009","13.8145","0.001","108.087","0.007","95.552","0.006","99.64","0.006","1191.32","0.17","100.01","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 B F4 N -","- C31 H22 B F4 N -","- C62 H44 B2 F8 N2 -","2","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","","1.54184","CuKα","","0.0491","0.0365","","","0.0898","0.0957","","","","","","1.007","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559390","15.62776","0.00016","16.52398","0.00016","18.67576","0.00019","90","","90","","90","","4822.69","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H22 B F4 N -","- C32 H22 B F4 N -","- C256 H176 B8 F32 N8 -","8","1","","Li, Qiyao; Gong, Junyi; Li, Ying; Zhang, Ruoyao; Wang, Haoran; Zhang, Jianquan; Yan, He; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Ryan T. K.; Li, Min-Hui; Wang, Jianguo; Tang, Ben Zhong","Unusual light-driven amplification through unexpected regioselective photogeneration of five-membered azaheterocyclic AIEgen.","Chemical science","2020","12","2","709","717","10.1039/d0sc04725b","","x-ray","1.54184","CuKα","","0.0471","0.0402","","","0.1102","0.1153","","","","","","1.02","","","","has coordinates","267075","2021-07-05","16:51:50",""
"1559476","11.1004","0.0009","11.3611","0.0008","13.2166","0.0009","65.35","0.003","89.871","0.004","81.713","0.003","1495.97","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","2","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0926","0.0576","","","0.1418","0.165","","","","","","1.04","","","","has coordinates,has disorder","259006","2020-11-06","21:31:28",""
"1559477","11.2314","0.0003","11.6094","0.0003","12.1689","0.0003","85.027","0.002","73.439","0.002","78.714","0.002","1490.66","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","N-[rel-(1S,4R,8S)-6-Acetyl-8-(2-oxo-1-pyrrolidinyl)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]-3,4,5-trimethoxybenzamide 1-vinyl-2-pyrrolidone solvate","","- C30 H37 N3 O9 -","- C30 H37 N3 O9 -","- C60 H74 N6 O18 -","2","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0715","0.0482","","","0.1219","0.1385","","","","","","1.017","","","","has coordinates","259007","2020-11-06","21:31:51",""
"1559478","12.1827","0.0003","14.8081","0.0004","18.6214","0.0004","90","","90","","90","","3359.35","0.14","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","rac-Methyl 5-(Benzoylamino)-4-ethoxy-2-methylcyclohexa-1,5-diene-1-carboxylate","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.094","0.0586","","","0.1431","0.1709","","","","","","1.046","","","","has coordinates","259008","2020-11-06","21:32:15",""
"1559479","9.2483","0.0003","11.4819","0.0003","12.1508","0.0003","112.763","0.002","93.341","0.002","106.199","0.002","1122.23","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C52 H48 N4 O10 -","2","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0768","0.0535","","","0.1356","0.1547","","","","","","1.025","","","","has coordinates","259009","2020-11-06","21:32:36",""
"1559480","25.6982","0.0006","13.3577","0.0002","18.3592","0.0004","90","","127.29","0.001","90","","5013.85","0.19","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N-[rel-(1S,4R,8S)-6-Benzoyl-8-(cyclohexyloxy)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]benzamide","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C224 H232 N8 O40 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0874","0.0551","","","0.1413","0.1683","","","","","","1.023","","","","has coordinates","259010","2020-11-06","21:32:58",""
"1559481","13.6258","0.0002","15.0585","0.0003","17.0887","0.0003","90","","90","","90","","3506.33","0.11","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","N-[rel-(1S,4R,8S)-6-Acetyl-8-ethoxy-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-4-yl]benzamide","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C152 H168 N8 O40 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0595","0.0442","","","0.1092","0.1206","","","","","","1.05","","","","has coordinates","259011","2020-11-06","21:33:20",""
"1559482","10.1996","0.0004","19.644","0.0011","12.5325","0.0006","90","","113.734","0.003","90","","2298.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[rel-(1S,4R,8R)-6-Acetyl-8-(2-oxo-1-pyrrolidinyl)-1-methyl-3-oxo-2-oxabicyclo[2.2.2]oct-5-en-4-yl]-3,4,5-trimethoxybenzamide","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C96 H112 N8 O32 -","4","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.1184","0.0573","","","0.1252","0.1572","","","","","","1.038","","","","has coordinates","259012","2020-11-06","21:33:41",""
"1559483","13.2171","0.0002","14.2221","0.0003","17.1809","0.0004","90","","90","","90","","3229.58","0.11","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C136 H152 N8 O48 -","8","1","","Kranjc, Krištof; Juranovič, Amadej; Kočevar, Marijan; Perdih, Franc","Supramolecular Diversity of Oxabicyclo[2.2.2]octenes Formed between Substituted 2H-Pyran-2-ones and Vinyl-Moiety-Containing Dienophiles","Symmetry","2020","12","10","1714","","10.3390/sym12101714","","","0.71073","MoKα","","0.0618","0.0471","","","0.1293","0.1429","","","","","","1.044","","","","has coordinates","259013","2020-11-06","21:34:03",""
"1559577","10.5714","0.0003","18.1828","0.0006","20.589","0.0009","72.838","0.003","89.216","0.003","74.717","0.003","3638.8","0.2","93.15","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50 Au B N2 -","- C41 H50 Au B N2 -","- C164 H200 Au4 B4 N8 -","4","2","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0547","0.0431","","","0.123","0.1313","","","","","","1.054","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559578","11.951","0.0003","12.9306","0.0003","18.7852","0.0006","96.941","0.002","104.913","0.003","104.703","0.002","2658.95","0.14","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H70 Au B N4 -","- C60 H70 Au B N4 -","- C120 H140 Au2 B2 N8 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0801","0.045","","","0.0948","0.1037","","","","","","0.988","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559579","14.021","0.0002","17.7771","0.0003","17.7051","0.0003","90","","97.0981","0.0015","90","","4379.22","0.12","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H60 Au B N4 -","- C48 H60 Au B N4 -","- C192 H240 Au4 B4 N16 -","4","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0219","0.0195","","","0.042","0.0426","","","","","","1.043","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559580","12.3065","0.0001","17.99","0.0002","20.3257","0.0002","83.34","0.001","79.742","0.001","83.084","0.001","4375.21","0.08","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H59 Au B N3 -","- C50 H59 Au B N3 -","- C200 H236 Au4 B4 N12 -","4","2","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.052","0.0317","","","0.0559","0.0595","","","","","","1.001","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559581","11.5634","0.0003","12.8016","0.0004","18.2287","0.0005","86.266","0.002","72.324","0.002","83.521","0.002","2553.22","0.13","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H68 Au B N4 -","- C59 H68 Au B N4 -","- C118 H136 Au2 B2 N8 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0382","0.0287","","","0.0561","0.058","","","","","","1.022","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559582","10.7485","0.0002","22.6769","0.0004","19.5737","0.0004","90","","104.387","0.0019","90","","4621.34","0.16","93","2","93","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C102 H122 Au2 B2 Cl2 F2 N4 O2 -","- C102 H122 Au2 B2 Cl2 F2 N4 O2 -","- C204 H244 Au4 B4 Cl4 F4 N8 O4 -","2","0.5","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0345","0.0267","","","0.0557","0.0577","","","","","","1.051","","","","has coordinates,has disorder","267095","2021-07-05","16:58:05",""
"1559583","12.3058","0.0004","26.0004","0.0006","16.284","0.0003","90","","100.267","0.002","90","","5126.7","0.2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Au B N4 -","- C54 H72 Au B N4 -","- C216 H288 Au4 B4 N16 -","4","0.5","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0507","0.0411","","","0.0857","0.0887","","","","","","1.053","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559584","10.7603","0.0004","11.6039","0.0004","19.3138","0.0006","72.527","0.003","85.454","0.003","66.378","0.003","2105.21","0.14","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H55 Au B N3 -","- C46 H55 Au B N3 -","- C92 H110 Au2 B2 N6 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.051","0.0329","","","0.0614","0.0651","","","","","","0.968","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559585","11.8822","0.0004","12.58","0.0002","17.5818","0.0005","99.538","0.002","106.748","0.003","103.924","0.002","2363.27","0.13","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 Au B N2 O -","- C54 H62 Au B N2 O -","- C108 H124 Au2 B2 N4 O2 -","2","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0412","0.0336","","","0.0827","0.0857","","","","","","1.057","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559586","13.6039","0.0002","23.0648","0.0003","18.7378","0.0003","90","","105.489","0.002","90","","5665.85","0.15","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H78 Au B N4 O -","- C63 H78 Au B N4 O -","- C252 H312 Au4 B4 N16 O4 -","4","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0543","0.0344","","","0.0631","0.0675","","","","","","1.014","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559587","18.4407","0.0004","23.6412","0.0005","21.238","0.0005","90","","90","","90","","9258.9","0.4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H60 Au B N2 O -","- C54 H60 Au B N2 O -","- C432 H480 Au8 B8 N16 O8 -","8","1","","Suzuki, Akane; Guo, Xueying; Lin, Zhenyang; Yamashita, Makoto","Nucleophilic reactivity of the gold atom in a diarylborylgold(i) complex toward polar multiple bonds.","Chemical science","2020","12","3","917","928","10.1039/d0sc05478j","","x-ray","0.71073","MoKα","","0.0482","0.0303","","","0.053","0.057","","","","","","1.021","","","","has coordinates","267095","2021-07-05","16:58:05",""
"1559588","10.4618","0.0002","11.5106","0.0003","10.467","0.0002","90","","95.605","0.002","90","","1254.43","0.05","290","","290","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0324","0.0247","","","0.0543","0.0571","","","","","","1.026","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559589","12.0682","0.0004","16.9687","0.0004","11.4632","0.0003","90","","94.888","0.004","90","","2338.92","0.11","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","DJV-444-desolv","- C16 H8 Au2 Fe N6 -","- C16 H8 Au2 Fe N6 -","- C64 H32 Au8 Fe4 N24 -","4","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","powder diffraction","","1.5406","CuKα~1~","","1.72335","","","","","","","","2.06458","","","","","","","has coordinates","267062","2021-07-05","16:48:46",""
"1559590","10.2342","0.0007","11.269","0.0008","10.2384","0.0007","90","0.006","92.665","0.005","90","0.006","1179.51","0.14","206","","206","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.1618","0.0416","","","0.0487","0.0706","","","","1.55","1.55","1.18","","","","has coordinates","267062","2021-07-05","16:48:46",""
"1559591","10.1143","0.0003","11.1281","0.0003","10.1146","0.0004","90","","91.745","0.003","90","","1137.9","0.06","15","","15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0587","0.037","","","0.0808","0.0913","","","","","","1.057","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559592","10.3534","0.0003","11.3911","0.0003","10.3639","0.0003","90","","93.954","0.003","90","","1219.37","0.06","250","","250","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0441","0.0287","","","0.0642","0.0707","","","","","","1.061","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559593","14.1982","0.0002","22.6765","0.0003","14.9567","0.0002","90","","90.0258","0.0013","90","","4815.54","0.11","228","","228","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C176 H104 Au16 Fe8 N56 O16 -","8","1","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.048","0.03","","","0.0691","0.0779","","","","","","1.033","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559594","10.115","0.0002","11.1318","0.0002","10.1239","0.0002","90","","91.852","0.002","90","","1139.34","0.04","140","","140","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0349","0.0272","","","0.0625","0.066","","","","","","1.072","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559595","10.4523","0.0005","11.4885","0.0004","10.5004","0.0004","90","","93.379","0.004","90","","1258.71","0.09","15","","15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H13 Au2 Fe N7 O2 -","- C22 H13 Au2 Fe N7 O2 -","- C44 H26 Au4 Fe2 N14 O4 -","2","0.5","","Piñeiro-López, Lucía; Valverde-Muñoz, Francisco-Javier; Trzop, Elzbieta; Muñoz, M Carmen; Seredyuk, Maksym; Castells-Gil, Javier; da Silva, Iván; Martí-Gastaldo, Carlos; Collet, Eric; Real, José Antonio","Guest induced reversible on-off switching of elastic frustration in a 3D spin crossover coordination polymer with room temperature hysteretic behaviour.","Chemical science","2020","12","4","1317","1326","10.1039/d0sc04420b","","x-ray","0.71073","MoKα","","0.0548","0.0359","","","0.0687","0.0775","","","","","","1.074","","","","has coordinates,has disorder","267062","2021-07-05","16:48:46",""
"1559596","12.6609","0.0005","23.0055","0.0009","12.7568","0.0005","90","","109.44","0.001","90","","3503.8","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H126 Ce2 O6 Si6 -","- C54 H126 Ce2 O6 Si6 -","- C108 H252 Ce4 O12 Si12 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0329","0.0256","","","0.0595","0.0631","","","","","","1.039","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559597","10.868","0.0016","16.755","0.002","20.149","0.003","90","","90.235","0.004","90","","3669","0.9","150","","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H108 Ce2 Cl4 N6 O2 Si12 -","- C42 H108 Ce2 Cl4 N6 O2 Si12 -","- C84 H216 Ce4 Cl8 N12 O4 Si24 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0773","0.0488","","","0.0856","0.0949","","","","","","1.034","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559598","11.4339","0.0009","12.0881","0.001","17.5236","0.0014","83.3194","0.0013","71.7094","0.0012","63.9637","0.0011","2065.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H136 Ce2 N6 O2 Si12 -","- C57 H136 Ce2 N6 O2 Si12 -","- C57 H136 Ce2 N6 O2 Si12 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0462","0.0316","","","0.0631","0.0677","","","","","","1.004","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559599","11.859","0.0014","14.7713","0.0018","19.126","0.002","79.676","0.002","76.075","0.002","81.398","0.002","3179.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H84 Ce2 N8 O9 -","- C68 H84 Ce2 N8 O9 -","- C136 H168 Ce4 N16 O18 -","2","1","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0824","0.0442","","","0.0883","0.1024","","","","","","0.996","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559600","11.7195","0.0004","18.0849","0.0007","21.3488","0.0008","90","","95.3481","0.0015","90","","4505.1","0.3","100.15","","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H142 Ce2 N12 O4 -","- C84 H142 Ce2 N12 O4 -","- C168 H284 Ce4 N24 O8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0652","0.0417","","","0.0687","0.0749","","","","","","1.071","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559601","18.228","0.005","17.588","0.004","28.531","0.007","90","","102.369","0.004","90","","8935","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H142 Ce2 Cl2 N2 O10 Si6 -","- C70 H142 Ce2 Cl2 N2 O10 Si6 -","- C280 H568 Ce8 Cl8 N8 O40 Si24 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0544","0.0459","","","0.12","0.1268","","","","","","1.096","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559602","11.29","0.04","22.03","0.07","17.25","0.07","90","","96.25","0.011","90","","4265","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H140 Ce2 O12 Si4 -","- C72 H140 Ce2 O12 Si4 -","- C144 H280 Ce4 O24 Si8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0723","0.0502","","","0.0878","0.096","","","","","","1.1","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559603","24.8116","0.0011","21.794","0.001","17.4764","0.0008","90","","116.659","0.001","90","","8445.6","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H108 Ce2 Cl2 N8 O2 Si12 -","- C44 H108 Ce2 Cl2 N8 O2 Si12 -","- C176 H432 Ce8 Cl8 N32 O8 Si48 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0382","0.0289","","","0.0647","0.0688","","","","","","1.037","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559604","20.8578","0.001","24.2951","0.001","11.7354","0.0005","90","","94.4068","0.0011","90","","5929.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H196 Ce2 O28 Si4 -","- C100 H196 Ce2 O28 Si4 -","- C200 H392 Ce4 O56 Si8 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.1063","0.0539","","","0.0834","0.1005","","","","","","1.064","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559605","24.645","0.006","22.211","0.006","17.381","0.004","90","","116.237","0.003","90","","8534","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H120 Ce2 N6 O2 Si12 -","- C46 H120 Ce2 N6 O2 Si12 -","- C184 H480 Ce8 N24 O8 Si48 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.1174","0.0625","","","0.1288","0.1511","","","","","","1.09","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559606","12.7863","0.0016","18.594","0.002","18.631","0.002","102.525","0.0019","90.9634","0.0018","93.3308","0.0018","4314.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91 H103 Ce3 N18 O5 -","- C91 H103 Ce3 N18 O5 -","- C182 H206 Ce6 N36 O10 -","2","1","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0743","0.041","","","0.0671","0.0759","","","","","","0.968","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559607","11.2124","0.001","12.5614","0.0011","34.289","0.003","90","","97.212","0.002","90","","4791.2","0.7","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H158 Ce2 Cl4 O12 Si6 -","- C76 H158 Ce2 Cl4 O12 Si6 -","- C152 H316 Ce4 Cl8 O24 Si12 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0702","0.0403","","","0.0708","0.0801","","","","","","1.015","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559608","11.655","0.002","12.402","0.002","17.499","0.003","92.596","0.003","93.946","0.003","114.855","0.003","2282","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H162 Ce2 O10 Si6 -","- C76 H162 Ce2 O10 Si6 -","- C76 H162 Ce2 O10 Si6 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0573","0.0452","","","0.0883","0.0934","","","","","","1.027","","","","has coordinates","267066","2021-07-05","16:50:14",""
"1559609","13.7919","0.0011","14.0585","0.0012","20.0654","0.0016","71.904","0.002","81.904","0.002","60.636","0.002","3222.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97.07 H204.13 Ce2 O30 Si6 -","- C97.05 H204.1 Ce2 O30 Si6 -","- C97.05 H204.1 Ce2 O30 Si6 -","1","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0327","0.0269","","","0.0649","0.0681","","","","","","1.021","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559610","11.7272","0.0006","20.2947","0.001","21.6422","0.0011","90","","99.99","0.001","90","","5072.7","0.4","100","2","100","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C66 H132 Ce2 Co2 D8 N6 O3 Si12 -","- C66 H132 Ce2 Co2 D8 N6 O3 Si12 -","- C132 H264 Ce4 Co4 D16 N12 O6 Si24 -","2","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0605","0.0395","","","0.0776","0.0863","","","","","","1.01","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559611","22.1584","0.0019","41.418","0.004","13.425","0.0012","90","","90","","90","","12320.9","1.9","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C90 H186 Ce2 Cl4 O29 Si6 -","- C90 H186 Ce2 Cl4 O29 Si6 -","- C360 H744 Ce8 Cl16 O116 Si24 -","4","0.5","","Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Cerium-quinone redox couples put under scrutiny.","Chemical science","2020","12","4","1343","1351","10.1039/d0sc04489j","","","0.71073","MoKα","","0.0663","0.0527","","","0.1203","0.128","","","","","","1.108","","","","has coordinates,has disorder","267066","2021-07-05","16:50:14",""
"1559612","9.8347","0.0004","12.6226","0.0005","12.8064","0.0006","118.576","0.001","101.423","0.001","94.672","0.001","1339.49","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H84 N2 O4 -","- C62 H84 N2 O4 -","- C62 H84 N2 O4 -","1","0.5","","Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank","Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers.","Chemical science","2020","12","2","793","802","10.1039/d0sc05475e","","","1.54178","CuKα","","0.0492","0.0464","","","0.1195","0.122","","","","","","1.041","","","","has coordinates,has disorder","267071","2021-07-05","16:51:05",""
"1559613","15.3311","0.0016","23.844","0.003","15.4674","0.0016","90","","95.515","0.003","90","","5628","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H86 N2 O8 -","- C60 H86 N2 O8 -","- C240 H344 N8 O32 -","4","1","","Rausch, Rodger; Röhr, Merle I S; Schmidt, David; Krummenacher, Ivo; Braunschweig, Holger; Würthner, Frank","Tuning phenoxyl-substituted diketopyrrolopyrroles from quinoidal to biradical ground states through (hetero-)aromatic linkers.","Chemical science","2020","12","2","793","802","10.1039/d0sc05475e","","","0.71073","MoKα","","0.086","0.0591","","","0.1454","0.1599","","","","","","1.037","","","","has coordinates,has disorder","267071","2021-07-05","16:51:16",""
"1559615","17.0085","0.0011","9.896","0.0007","10.5439","0.0007","90","","92.8684","0.0019","90","","1772.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Liang, Weida; Cai, Xinpei; Dai, Mingji","Cu-catalyzed hydroxycyclopropanol ring-opening cyclization to tetrahydrofurans and tetrahydropyrans: short total syntheses of hyperiones.","Chemical science","2020","12","4","1311","1316","10.1039/d0sc05556e","","","1.54178","CuKα","","0.0437","0.042","","","0.1221","0.1241","","","","","","1.193","","","","has coordinates,has disorder","267063","2021-07-05","16:48:54",""
"1559616","9.44906","0.00012","9.44906","0.00012","9.44906","0.00012","90","","90","","90","","843.657","0.019","298","","298","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","","","- Bi K3 S3 -","- Bi K3 S3 -","- Bi4 K12 S12 -","4","0.333333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","1.54056","CuKα","","0.0635","0.0624","","0.0833","0.0832","","","","1.53","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559617","4.128802","0.000013","4.128802","0.000013","22.09041","0.00012","90","","90","","120","","326.124","0.002","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Bi K S2 -","- Bi K S2 -","- Bi3 K3 S6 -","3","0.0833333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","0.45777","Synchrotron","","0.0204","0.0204","","0.0249","0.0249","","","","1.23","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559618","4.264423","0.000014","4.264423","0.000014","23.02901","0.00014","90","","90","","120","","362.682","0.003","298","","298","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","KBiSe2","","- Bi K Se2 -","- Bi K Se2 -","- Bi3 K3 Se6 -","3","0.0833333","","McClain, Rebecca; Malliakas, Christos D.; Shen, Jiahong; He, Jiangang; Wolverton, Chris; González, Gabriela B; Kanatzidis, Mercouri G.","Mechanistic insight of KBiQ<sub>2</sub> (Q = S, Se) using panoramic synthesis towards synthesis-by-design.","Chemical science","2020","12","4","1378","1391","10.1039/d0sc04562d","powder diffraction","x-ray","0.41283","Synchrotron","","0.0269","0.0263","","0.0287","0.0287","","","","1.1","","","","","","","has coordinates","267065","2021-07-05","16:49:34",""
"1559619","4.7962","0.0004","16.1392","0.0014","15.9437","0.0013","90","","90","","90","","1234.15","0.18","276","2","276","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Chen, Pu; Nan, Jiang; Hu, Yan; Kang, Yifan; Wang, Bo; Ma, Yangmin; Szostak, Michal","Metal-free tandem carbene N-H insertions and C-C bond cleavages.","Chemical science","2020","12","2","803","811","10.1039/d0sc05763k","","","0.71073","MoKα","","0.2812","0.0749","","","0.0988","0.1368","","","","","","0.929","","","","has coordinates","267073","2021-07-05","16:51:28",""
"1559635","10.14023","0.00008","15.89219","0.0001","18.23835","0.00015","90","","105.522","0.0008","90","","2831.92","0.04","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N4 O5 S -","- C31 H30 N4 O5 S -","- C124 H120 N16 O20 S4 -","4","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0438","0.0409","","","0.1056","0.1083","","","","","","1.066","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559636","18.90952","0.00014","10.14583","0.00006","28.4275","0.0002","90","","93.3559","0.0007","90","","5444.54","0.06","180","0.1","180","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C32 H33 N3 O2 S -","- C32 H33 N3 O2 S -","- C256 H264 N24 O16 S8 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0372","0.0348","","","0.0905","0.0926","","","","","","1.071","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559637","10.9678","0.0003","15.3212","0.0004","17.9064","0.0005","111.225","0.003","98.183","0.003","98.485","0.003","2710.92","0.15","180.01","0.1","180.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N3 O2 S -","- C32 H33 N3 O2 S -","- C128 H132 N12 O8 S4 -","4","2","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.048","0.0381","","","0.0989","0.1064","","","","","","1.034","","","","has coordinates","267068","2021-07-05","16:50:34",""
"1559638","18.50216","0.00012","21.27952","0.00014","10.92519","0.00007","90","","90","","90","","4301.43","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C26 H25 N3 O2 -","- C26 H25 N3 O2 -","- C208 H200 N24 O16 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0289","0.028","","","0.0713","0.072","","","","","","1.048","","","","has coordinates,has disorder","267068","2021-07-05","16:50:34",""
"1559639","21.3021","0.001","7.7181","0.0004","23.5444","0.0012","90","","90","","90","","3871","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C200 H192 N16 -","8","1","","Guarnieri-Ibáñez, Alejandro; de Aguirre, Adiran; Besnard, Céline; Poblador-Bahamonde, Amalia I; Lacour, Jérôme","Regiodivergent synthesis of pyrazino-indolines <i>vs.</i> triazocines <i>via</i> α-imino carbenes addition to imidazolidines.","Chemical science","2020","12","4","1479","1485","10.1039/d0sc05725h","","x-ray","1.54184","CuKα","","0.0881","0.0549","","","0.1293","0.1547","","","","","","1.027","","","","has coordinates","267068","2021-07-05","16:50:34",""
"1559640","9.2787","0.0005","14.567","0.0009","28.3208","0.0018","90","","96.297","0.002","90","","3804.8","0.4","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H33 Cl2 N O -","- C52 H33 Cl2 N O -","- C208 H132 Cl8 N4 O4 -","4","1","","Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong","Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off.","Chemical science","2020","12","4","1495","1502","10.1039/d0sc05631f","","","0.71073","MoKα","","0.1699","0.0875","","","0.2025","0.2503","","","","","","1.018","","","","has coordinates","267064","2021-07-05","16:49:03",""
"1559641","12.0934","0.0006","13.1272","0.0007","13.4509","0.0007","118.019","0.001","90.255","0.002","105.741","0.002","1792.4","0.16","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H33 N O -","- C51 H33 N O -","- C102 H66 N2 O2 -","2","1","","Wu, Lin; Wang, Kai; Wang, Cheng; Fan, Xiao-Chun; Shi, Yi-Zhong; Zhang, Xiang; Zhang, Shao-Li; Ye, Jun; Zheng, Cai-Jun; Li, Yan-Qing; Yu, Jia; Ou, Xue-Mei; Zhang, Xiao-Hong","Using fluorene to lock electronically active moieties in thermally activated delayed fluorescence emitters for high-performance non-doped organic light-emitting diodes with suppressed roll-off.","Chemical science","2020","12","4","1495","1502","10.1039/d0sc05631f","","x-ray","0.71073","MoKα","","0.0649","0.0454","","","0.1109","0.1225","","","","","","1.027","","","","has coordinates","267064","2021-07-05","16:49:04",""
"1559642","10.01048","0.00019","13.6732","0.0003","17.5596","0.0003","73.5259","0.0018","85.7741","0.0015","69.1588","0.0018","2153.01","0.08","239.9","0.2","239.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0405","0.0328","","","0.0784","0.0836","","","","","","1.047","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559643","13.5851","0.0009","18.7551","0.0009","19.6424","0.0008","64.608","0.003","71.048","0.004","71.168","0.004","4176.3","0.4","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4547","neutrons","","0.0854","0.0759","","","0.2188","0.2358","","","","","","1.172","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559644","9.99242","0.00016","13.64829","0.00017","17.4977","0.0003","73.5796","0.0013","85.7654","0.0013","69.0385","0.0013","2136.52","0.06","210","0.14","210","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.035","0.0298","","","0.0719","0.0757","","","","","","1.037","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559645","9.9614","0.0018","13.577","0.003","17.271","0.003","103.019","0.008","94.103","0.008","111.28","0.007","2090.2","0.7","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0993","0.0482","","","0.1017","0.1156","","","","","","1.035","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559646","9.9719","0.0003","13.5419","0.0004","17.0957","0.0005","76.716","0.002","85.858","0.002","110.386","0.002","2076.54","0.11","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4547","neutrons","","0.0717","0.0689","","","0.1862","0.19","","","","","","1.109","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559647","9.9677","0.0004","13.5502","0.0005","17.0822","0.0005","76.876","0.002","85.729","0.002","110.376","0.002","2076.34","0.13","95","1","95","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.0571","0.0523","","","0.1358","0.14","","","","","","1.133","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559648","9.9726","0.0003","13.6198","0.0004","17.4815","0.0005","73.5194","0.0017","85.7393","0.0018","69.1085","0.0018","2126.23","0.11","240","1","240","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.0566","0.05","","","0.1285","0.1336","","","","","","1.12","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559649","9.9402","0.0013","13.5461","0.0019","17.384","0.002","73.959","0.006","85.95","0.005","68.735","0.005","2095.3","0.5","50","1","50","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0803","0.046","","","0.0999","0.1114","","","","","","1.035","","","","has coordinates,has disorder","267097","2021-07-05","16:58:32",""
"1559650","10.008","0.004","13.653","0.007","17.13","0.006","76.955","0.014","85.823","0.012","110.551","0.014","2105.2","1.6","95","1","95","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.1224","0.0632","","","0.1379","0.1659","","","","","","0.931","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559651","13.5877","0.0003","18.7535","0.0005","19.6264","0.0005","64.662","0.002","71.098","0.002","71.086","0.002","4174.4","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","1.4551","neutrons","","0.075","0.0627","","","0.1761","0.1884","","","","","","1.114","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559652","9.9953","0.0003","13.6057","0.0002","17.1602","0.0003","76.844","0.0016","85.77","0.002","110.502","0.003","2098.13","0.09","94.9","0.2","94.9","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C80 H82 Fe2 N26 O28 -","2","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.066","0.0461","","","0.0931","0.1072","","","","","","1.048","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559653","13.63358","0.00018","18.8075","0.0002","19.6686","0.0002","64.7142","0.0013","71.0809","0.0012","71.0628","0.0012","4210.47","0.1","120","0.14","120","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Fe N13 O14 -","- C40 H41 Fe N13 O14 -","- C160 H164 Fe4 N52 O56 -","4","2","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Cañadillas-Delgado, Laura; Yufit, Dmitry S.; Howard, Judith A. K.; Romero, Francisco M.","Interplay between spin crossover and proton migration along short strong hydrogen bonds.","Chemical science","2020","12","3","1038","1053","10.1039/d0sc04918b","","","0.71073","MoKα","","0.0473","0.0384","","","0.1026","0.1125","","","","","","1.045","","","","has coordinates","267097","2021-07-05","16:58:32",""
"1559654","13.1243","0.0003","15.2075","0.0003","16.3433","0.0003","90","","90","","90","","3261.92","0.12","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 N O3 Si -","- C31 H53 N O3 Si -","- C124 H212 N4 O12 Si4 -","4","1","","Homma, Chihiro; Takeshima, Aika; Kano, Taichi; Maruoka, Keiji","Construction of chiral α-<i>tert</i>-amine scaffolds <i>via</i> amine-catalyzed asymmetric Mannich reactions of alkyl-substituted ketimines.","Chemical science","2020","12","4","1445","1450","10.1039/d0sc05269h","","","0.71073","MoKα","","0.0295","0.0275","","","0.0667","0.068","","","","","","1.04","","","","has coordinates","267060","2021-07-05","16:48:26",""
"1559655","8.047","0.006","11.508","0.007","14.43","0.009","90","","90.23","0.04","90","","1336.3","1.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Gollapelli, Krishna Kumar; Patil, Vaibhav B.; Vinaykumar, Allam; Chegondi, Rambabu","Rh(i)-catalyzed stereoselective desymmetrization of prochiral cyclohexadienones <i>via</i> highly <i>exo</i>-selective Huisgen-type [3 + 2] cycloaddition.","Chemical science","2020","12","4","1544","1550","10.1039/d0sc05543c","","","0.71073","MoKα","","0.0693","0.0484","","","0.1124","0.1241","","","","","","1.052","","","","has coordinates","267061","2021-07-05","16:48:31",""
"1559656","10.081","0.004","24.946","0.008","11.246","0.004","90","","107.46","0.01","90","","2697.8","1.7","300","2","300","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","1RT","","- C51 H52 Dy N5 O8 P2 S3 -","- C51 H52 Dy N5 O8 P2 S3 -","- C102 H104 Dy2 N10 O16 P4 S6 -","2","0.5","","Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min","Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties.","Chemical science","2020","12","3","929","937","10.1039/d0sc04851h","","","0.71073","MoKα","","0.0592","0.0456","","","0.1112","0.1201","","","","","","1.048","","","","has coordinates,has disorder","267096","2021-07-05","16:58:13",""
"1559657","9.592","0.014","11.701","0.019","26.2","0.04","90.03","0.07","91.86","0.04","112.38","0.07","2717","7","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","1LT","","- C51 H52 Dy N5 O8 P2 S3 -","- C51 H52 Dy N5 O8 P2 S3 -","- C102 H104 Dy2 N10 O16 P4 S6 -","2","1","","Huang, Xin-Da; Wen, Ge-Hua; Bao, Song-Song; Jia, Jia-Ge; Zheng, Li-Min","Thermo- and light-triggered reversible interconversion of dysprosium-anthracene complexes and their responsive optical, magnetic and dielectric properties.","Chemical science","2020","12","3","929","937","10.1039/d0sc04851h","","","0.71073","MoKα","","0.1557","0.1088","","","0.2531","0.2777","","","","","","1.087","","","","has coordinates","267096","2021-07-05","16:58:13",""
"1559664","12.0065","0.0003","12.0065","0.0003","23.9165","0.0007","90","","90","","90","","3447.71","0.16","150","2","150","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- In Li3 P2 -","- In Li3 P2 -","- In32 Li96 P64 -","32","1","","Restle, Tassilo M. F.; Deringer, Volker L.; Meyer, Jan; Raudaschl-Sieber, Gabriele; Fässler, Thomas F","Supertetrahedral polyanionic network in the first lithium phosphidoindate Li<sub>3</sub>InP<sub>2</sub> - structural similarity to Li<sub>2</sub>SiP<sub>2</sub> and Li<sub>2</sub>GeP<sub>2</sub> and dissimilarity to Li<sub>3</sub>AlP<sub>2</sub> and Li<sub>3</sub>GaP<sub>2</sub>.","Chemical science","2020","12","4","1278","1285","10.1039/d0sc05851c","","","0.71073","MoKα","","0.0212","0.0143","","","0.0302","0.0316","","","","","","1.023","","","","has coordinates","267067","2021-07-05","16:50:22",""
"1559665","14.029","0.002","9.9593","0.0019","20.562","0.003","90","","92.648","0.004","90","","2869.8","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 B11 P -","- C26 H30 B11 P -","- C104 H120 B44 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1142","0.0636","","","0.1547","0.1891","","","","","","1.021","","","","has coordinates","267058","2021-07-05","16:46:25",""
"1559666","14.553","0.003","14.829","0.003","15.99","0.003","69.051","0.004","79.173","0.004","70.065","0.004","3021","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H75 B11 N3 P -","- C62 H75 B11 N3 P -","- C124 H150 B22 N6 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1799","0.0874","","","0.1997","0.2546","","","","","","0.973","","","","has coordinates","267058","2021-07-05","16:46:34",""
"1559667","11.524","0.003","14.772","0.004","20.643","0.006","77.743","0.005","77.242","0.005","71.242","0.005","3207.1","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H67 B11 N3 P -","- C58 H67 B11 N3 P -","- C116 H134 B22 N6 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1573","0.0834","","","0.2171","0.2503","","","","","","0.842","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559668","11.512","0.0013","22.661","0.003","14.8847","0.0017","90","","95.426","0.003","90","","3865.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B11 N P -","- C36 H41 B11 N P -","- C144 H164 B44 N4 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.11","0.0666","","","0.1595","0.1769","","","","","","0.893","","","","has coordinates","267058","2021-07-05","16:46:48",""
"1559669","13.061","0.002","13.363","0.003","17.006","0.003","91.902","0.003","112.387","0.003","107.918","0.003","2572.9","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H65 B11 N O2 P -","- C54 H65 B11 N O2 P -","- C108 H130 B22 N2 O4 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1132","0.0694","","","0.1709","0.2048","","","","","","1.016","","","","has coordinates","267058","2021-07-05","16:46:50",""
"1559670","15.0697","0.0018","14.0752","0.0018","29.446","0.004","90","","98.86","0.003","90","","6171.2","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H63 B11 N3 P -","- C56 H63 B11 N3 P -","- C224 H252 B44 N12 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.2351","0.0822","","","0.1756","0.2483","","","","","","0.917","","","","has coordinates","267058","2021-07-05","16:46:50",""
"1559671","12.189","0.006","21.845","0.011","22.102","0.011","90","","102.623","0.009","90","","5743","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H55 B11 N O2 P -","- C51 H55 B11 N O2 P -","- C204 H220 B44 N4 O8 P4 -","4","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1552","0.0934","","","0.2261","0.2548","","","","","","0.902","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559672","14.84","0.002","15.233","0.002","17.153","0.002","78.44","0.003","77.68","0.003","74.344","0.003","3605.4","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H91 B11 N3 O2 P -","- C78 H91 B11 N3 O2 P -","- C156 H182 B22 N6 O4 P2 -","2","1","","Zhang, Jian; Xie, Zuowei","Tri-insertion with dearomatization of terminal arylalkynes using a carborane based frustrated Lewis pair template.","Chemical science","2020","12","5","1745","1749","10.1039/d0sc05755j","","","0.71073","MoKα","","0.1698","0.0801","","","0.1759","0.2231","","","","","","0.99","","","","has coordinates,has disorder","267058","2021-07-05","16:46:50",""
"1559673","5.0451","0.0001","13.6147","0.0003","15.6358","0.0003","90","","93.956","0.002","90","","1071.43","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.0573","0.0561","","","0.165","0.1667","","","","","","1.071","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559674","8.6415","0.0001","14.2584","0.0003","9.2288","0.0002","90","","97.831","0.002","90","","1126.51","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C56 H40 Cl4 N4 O8 -","4","1","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.0379","0.035","","","0.0951","0.0971","","","","","","1.064","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559675","10.184","0.0003","11.0563","0.0003","14.3733","0.0003","69.266","0.002","87.583","0.002","89.765","0.002","1512.13","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N O2 -","- C21 H15 N O2 -","- C84 H60 N4 O8 -","4","2","","Palani, Vignesh; Perea, Melecio A.; Gardner, Kristen E.; Sarpong, Richmond","A pyrone remodeling strategy to access diverse heterocycles: application to the synthesis of fascaplysin natural products.","Chemical science","2020","12","4","1528","1534","10.1039/d0sc06317g","","","1.54184","CuKα","","0.039","0.0366","","","0.0924","0.0941","","","","","","1.038","","","","has coordinates","267069","2021-07-05","16:50:41",""
"1559689","12.151","0.007","13.362","0.008","16.11","0.01","111.747","0.01","92.86","0.01","113.294","0.009","2172","2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56.67 Cu F2 N6 O13.34 -","- C38 H56.6666 Cu F2 N6 O13.3333 -","- C76 H113.333 Cu2 F4 N12 O26.6666 -","2","1","","Guo, Rui-Feng; Yan, Hou-Tian; Liu, Rui-Xue; Li, Hong-Chang; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong","Structural characterization and pharmacological assessment <i>in vitro</i>/<i>in vivo</i> of a new copper(II)-based derivative of enrofloxacin.","Metallomics : integrated biometal science","2020","12","12","2145","2160","10.1039/d0mt00155d","","","0.71073","MoKα","","0.1047","0.0576","","","0.1573","0.1893","","","","","","0.989","","","","has coordinates","260800","2021-01-07","06:43:45",""
"1559701","9.8094","0.0003","20.7167","0.0007","9.6437","0.0003","90","","93.556","0.001","90","","1956","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 S -","- C23 H19 N3 S -","- C92 H76 N12 S4 -","4","1","","Dey, Sunanda; Maity, Suvendu; Purkait, Rakesh; Pal, Kunal; Ghosh, Prasanta; Jana, Kuladip; Sinha, Chittaranjan","X-ray structure of two Schiff bases: TURN-ON sensing of Fe<sup>3+</sup> and Al<sup>3+</sup> in the HepG2 cell line.","Analytical methods : advancing methods and applications","2020","12","45","5485","5495","10.1039/d0ay01090a","","","0.71073","MoKα","","0.0737","0.0534","","","0.1392","0.1561","","","","","","1.031","","","","has coordinates","259536","2020-12-04","06:07:28",""
"1559702","22.18","0.003","5.9098","0.0007","16.938","0.002","90","","94.383","0.004","90","","2213.7","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N3 O -","- C29 H23 N3 O -","- C116 H92 N12 O4 -","4","1","","Dey, Sunanda; Maity, Suvendu; Purkait, Rakesh; Pal, Kunal; Ghosh, Prasanta; Jana, Kuladip; Sinha, Chittaranjan","X-ray structure of two Schiff bases: TURN-ON sensing of Fe<sup>3+</sup> and Al<sup>3+</sup> in the HepG2 cell line.","Analytical methods : advancing methods and applications","2020","12","45","5485","5495","10.1039/d0ay01090a","","","0.71073","MoKα","","0.1556","0.0913","","","0.1494","0.173","","","","","","1.138","","","","has coordinates","259536","2020-12-04","06:07:29",""
"1559727","13.9627","0.0011","24.4797","0.0019","20.1924","0.0016","90","","109.711","0.004","90","","6497.4","0.9","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 B2 F24 N4 O2 Pt -","- C58 H60 B2 F24 N4 O2 Pt -","- C232 H240 B8 F96 N16 O8 Pt4 -","4","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0572","0.0358","","","0.073","0.0813","","","","","","1.034","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559728","17.784","0.001","19.3314","0.0012","19.4985","0.0012","77.056","0.003","83.793","0.003","71.134","0.003","6177.4","0.7","99.99","","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H54 B2 F24 N6 Pt -","- C58 H54 B2 F24 N6 Pt -","- C232 H216 B8 F96 N24 Pt4 -","4","2","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.1031","0.06","","","0.1401","0.1624","","","","","","1.039","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559729","12.8046","0.0007","13.6804","0.0007","18.4265","0.001","96.145","0.003","98.035","0.003","91.631","0.003","3174.7","0.3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H54 B2 F24 N6 Pt -","- C58 H54 B2 F24 N6 Pt -","- C116 H108 B4 F48 N12 Pt2 -","2","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0645","0.0438","","","0.0819","0.0888","","","","","","1.044","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559730","13.001","0.0007","26.3167","0.0013","21.0636","0.001","90","","101.229","0.002","90","","7068.8","0.6","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H69 B2 F24 N5 O2 Pt -","- C63 H69 B2 F24 N5 O2 Pt -","- C252 H276 B8 F96 N20 O8 Pt4 -","4","1","","Ríos, Pablo; Martín-de la Calle, Rocío; Vidossich, Pietro; Fernández-de-Córdova, Francisco José; Lledós, Agustí; Conejero, Salvador","Reversible carbon-boron bond formation at platinum centers through σ-BH complexes.","Chemical science","2020","12","5","1647","1655","10.1039/d0sc05522k","","","0.56086","AgKα","","0.0773","0.0506","","","0.105","0.1148","","","","","","1.092","","","","has coordinates,has disorder","267056","2021-07-05","16:45:50",""
"1559731","28.129","0.0008","28.129","0.0008","10.2773","0.0004","90","","90","","120","","7042.4","0.4","173","2","173","2","","","","","","","","6","P 61","P 61","169","","","","- C55.17 H44.33 N4 O P Zn -","- C55.1669 H44.3336 N4 O P Zn -","- C331.001 H266.002 N24 O6 P6 Zn6 -","6","1","","Chakraborty, Debarshi; Gholami, Hadi; Sarkar, Aritra; Joyce, Leo A.; Jackson, James E.; Borhan, Babak","A chiroptical approach for the absolute stereochemical determination of <i>P</i>-stereogenic centers.","Chemical science","2020","12","5","1750","1755","10.1039/d0sc02940h","","","1.54178","CuKα","","0.198","0.088","","","0.2059","0.2611","","","","","","0.957","","","","has coordinates,has disorder","267054","2021-07-05","16:45:31",""
"1559733","10.6148","0.0002","5.0773","0.0001","15.8871","0.0003","90","","104.929","0.002","90","","827.33","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H23 Cl N2 O3 -","- C16 H23 Cl N2 O3 -","- C32 H46 Cl2 N4 O6 -","2","1","","Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak","Ritter-enabled catalytic asymmetric chloroamidation of olefins.","Chemical science","2020","12","5","1834","1842","10.1039/d0sc05224h","","","1.54178","CuKα","","0.049","0.0387","","","0.0811","0.085","","","","","","1.01","","","","has coordinates","267055","2021-07-05","16:45:37",""
"1559734","4.9505","0.0002","8.582","0.0003","19.942","0.0006","88.027","0.002","85.435","0.002","89.121","0.002","843.98","0.05","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C15 H20 Br Cl N2 O2 -","- C15 H20 Br Cl N2 O2 -","- C30 H40 Br2 Cl2 N4 O4 -","2","2","","Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak","Ritter-enabled catalytic asymmetric chloroamidation of olefins.","Chemical science","2020","12","5","1834","1842","10.1039/d0sc05224h","","","1.54178","CuKα","","0.0586","0.0489","","","0.1146","0.1207","","","","","","1.05","","","","has coordinates","267055","2021-07-05","16:45:37",""
"1559735","7.0556","0.0003","11.2701","0.0004","21.8311","0.0008","76.95","0.003","80.721","0.003","83.88","0.003","1664.53","0.11","293.1","0.6","293.1","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl N2 O4 -","- C39 H35 Cl N2 O4 -","- C78 H70 Cl2 N4 O8 -","2","1","","Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong","Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes.","Chemical science","2020","12","7","2419","2426","10.1039/d0sc05844k","","x-ray","1.54184","CuKα","","0.0643","0.0573","","","0.1664","0.1771","","","","","","1.021","","","","has coordinates","267089","2021-07-05","16:55:29",""
"1559736","11.61201","0.00013","15.7662","0.0002","16.56274","0.00019","90","","96.2696","0.001","90","","3014.13","0.06","294.7","0.6","294.7","0.6","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 N2 -","- C39 H26 N2 -","- C156 H104 N8 -","4","1","","Yan, Lipeng; Ma, Weixin; Lan, Jingbo; Cheng, Hu; Bin, Zhengyang; Wu, Di; You, Jingsong","Molecular engineering enabling reversible transformation between helical and planar conformations by cyclization of alkynes.","Chemical science","2020","12","7","2419","2426","10.1039/d0sc05844k","","x-ray","1.54184","CuKα","","0.0577","0.0517","","","0.1487","0.1574","","","","","","1.038","","","","has coordinates","267089","2021-07-05","16:55:29",""
"1559738","16.3688","0.0016","32.3268","0.0009","36.999","0.002","90","","97.356","0.007","90","","19417","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C160 H240 Au22 S16 -","- C160 H240 Au22 S16 -","- C640 H960 Au88 S64 -","4","1","","Li, Qinzhen; Yang, Sha; Chen, Tao; Jin, Shan; Chai, Jinsong; Zhang, Hui; Zhu, Manzhou","Structure determination of a metastable Au<sub>22</sub>(SAdm)<sub>16</sub> nanocluster and its spontaneous transformation into Au<sub>21</sub>(SAdm)<sub>15</sub>.","Nanoscale","2020","12","46","23694","23699","10.1039/d0nr07124b","","","1.54186","CuKα","","0.0889","0.0703","","","0.1838","0.1961","","","","","","0.988","","","","has coordinates","259757","2020-12-10","05:33:45",""
"1559742","13.2976","0.0002","25.7772","0.0002","38.6074","0.0007","90","","90","","90","","13233.6","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C123.64 H127.46 F9 Lu N9.82 O29 S3 -","- C123.584 H127.376 F9 Lu N9.792 O29 S3 -","- C494.336 H509.504 F36 Lu4 N39.168 O116 S12 -","4","1","","Song, Yiwei; Schaufelberger, Fredrik; Ashbridge, Zoe; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Effects of turn-structure on folding and entanglement in artificial molecular overhand knots.","Chemical science","2020","12","5","1826","1833","10.1039/d0sc05897a","","x-ray","0.6889","Synchrotron","","0.1254","0.078","","","0.2195","0.2503","","","","","","1.015","","","","has coordinates,has disorder","267052","2021-07-05","16:45:17",""
"1559743","7.3505","0.0004","9.1897","0.0006","17.0347","0.0011","94.567","0.006","91.046","0.005","113.509","0.006","1050.24","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Pyrene 9,10-dicyanoanthracene","","- C32 H18 N2 -","- C32 H18 N2 -","- C64 H36 N4 -","2","1","","Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.","One class classification as a practical approach for accelerating π-π co-crystal discovery.","Chemical science","2020","12","5","1702","1719","10.1039/d0sc04263c","","x-ray","0.71073","MoKα","","0.144","0.0904","","","0.2084","0.2358","","","","","","1.052","","","","has coordinates","267053","2021-07-05","16:45:24",""
"1559744","8.295","0.0005","16.3146","0.0011","21.1379","0.0018","90","","91.514","0.007","90","","2859.6","0.4","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(6H-Benzo[c]chromen-6-one) pyrene","","- C42 H26 O4 -","- C42 H26 O4 -","- C168 H104 O16 -","4","1","","Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Kershaw Cook, Laurence J.; Manning, Troy D.; Gaultois, Michael W.; Wood, Peter A.; Kurlin, Vitaliy; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.","One class classification as a practical approach for accelerating π-π co-crystal discovery.","Chemical science","2020","12","5","1702","1719","10.1039/d0sc04263c","","x-ray","0.71073","MoKα","","0.1468","0.1143","","","0.3074","0.3306","","","","","","1.079","","","","has coordinates,has disorder","267053","2021-07-05","16:45:24",""
"1559745","11.438","0.002","23.034","0.004","15.788","0.003","90","","95.203","0.003","90","","4142.4","1.3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Al0.5 Mo6 N3 O34.25 P4 -","- C18 H27 Al0.5 Mo6 N3 O34.25 P4 -","- C72 H108 Al2 Mo24 N12 O137 P16 -","4","1","","Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang","Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst.","Chemical science","2020","12","5","1886","1890","10.1039/d0sc05277a","","","0.71073","MoKα","","0.0403","0.0339","","","0.084","0.0878","","","","","","1.079","","","","has coordinates,has disorder","267057","2021-07-05","16:46:04",""
"1559746","48.173","0.005","13.8607","0.0013","47.347","0.005","90","","117.571","0.003","90","","28024","5","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H114 Al6 Mo36 N22 O201 P24 -","- C132 H164 Al6 Mo36 N22 O201 P24 -","- C528 H656 Al24 Mo144 N88 O804 P96 -","4","0.5","","Zhang, Ya-Qi; Zhou, Lai-Yun; Ma, Yuan-Yuan; Dastafkan, Kamran; Zhao, Chuan; Wang, Lan-Zhi; Han, Zhan-Gang","Stable monovalent aluminum(i) in a reduced phosphomolybdate cluster as an active acid catalyst.","Chemical science","2020","12","5","1886","1890","10.1039/d0sc05277a","","","0.71073","MoKα","","0.0686","0.0594","","","0.1433","0.1485","","","","","","1.117","","","","has coordinates","267057","2021-07-05","16:46:04",""
"1559747","17.4036","0.0007","20.6957","0.0008","24.9538","0.001","103.801","0.002","102.939","0.002","109.687","0.002","7749.8","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C199 H530 Ce6 Cl8 N36 Si36 -","- C199 H530 Ce6 Cl8 N36 Si36 -","- C199 H530 Ce6 Cl8 N36 Si36 -","1","0.5","","Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J.","Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures.","Chemical science","2020","12","10","3558","3567","10.1039/d0sc05193d","","","0.71073","MoKα","","0.0668","0.0568","","","0.1256","0.1344","","","","","","1.048","","","","has coordinates,has disorder","267043","2021-07-05","16:42:53",""
"1559748","18.6937","0.0017","18.0533","0.0016","26.789","0.002","90","","91.191","0.003","90","","9038.9","1.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 B Ce F24 N7 Si6 -","- C64 H94 B Ce F24 N7 Si6 -","- C256 H376 B4 Ce4 F96 N28 Si24 -","4","1","","Qiao, Yusen; Yin, Haolin; Moreau, Liane M.; Feng, Rulin; Higgins, Robert F.; Manor, Brian C.; Carroll, Patrick J.; Booth, Corwin H.; Autschbach, Jochen; Schelter, Eric J.","Cerium(iv) complexes with guanidinate ligands: intense colors and anomalous electronic structures.","Chemical science","2020","12","10","3558","3567","10.1039/d0sc05193d","","","0.71073","MoKα","","0.086","0.0661","","","0.1652","0.1879","","","","","","1.123","","","","has coordinates,has disorder","267043","2021-07-05","16:42:53",""
"1559749","11.495","0.003","11.697","0.003","11.753","0.003","72.463","0.004","82.359","0.004","71.422","0.003","1427.1","0.6","173","2","172.99","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H46 Mn2 N30 -","- C50 H46 Mn2 N30 -","- C50 H46 Mn2 N30 -","1","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0644","0.05","","","0.1281","0.141","","","","","","1.033","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559750","9.332","0.003","13.337","0.005","15.845","0.006","90","","97.844","0.007","90","","1953.6","1.2","100","2","99.95","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cu2 N26 -","- C36 H30 Cu2 N26 -","- C72 H60 Cu4 N52 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0915","0.0471","","","0.0804","0.0923","","","","","","1.012","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559751","8.018","0.004","4.669","0.003","18.877","0.01","90","","101.238","0.01","90","","693.1","0.7","100","2","99.99","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-amino-4,6-diazido-1,3,5-triazine","","- C3 H2 N10 -","- C3 H2 N10 -","- C12 H8 N40 -","4","1","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0772","0.0617","","","0.1711","0.1795","","","","","","1.098","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559752","9.58","0.005","13.076","0.008","15.904","0.009","90","","97.636","0.013","90","","1974.6","1.9","100","2","100.03","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 N26 Zn2 -","- C36 H30 N26 Zn2 -","- C72 H60 N52 Zn4 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.1196","0.0548","","","0.0958","0.1148","","","","","","0.988","","","","has coordinates","267087","2021-07-05","16:55:04",""
"1559753","11.034","0.004","13.414","0.006","18.758","0.008","91.221","0.006","106.188","0.006","99.178","0.007","2625.8","1.9","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Fe2 N27 O2 -","- C46 H49 Fe2 N27 O2 -","- C92 H98 Fe4 N54 O4 -","2","1","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.147","0.0685","","","0.1671","0.2186","","","","","","1.014","","","","has coordinates,has disorder","267087","2021-07-05","16:55:04",""
"1559754","11.927","0.002","20.144","0.004","10.56","0.002","90","","98.269","0.004","90","","2510.7","0.8","100","2","100.09","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 N26 Ni2 O2 -","- C44 H46 N26 Ni2 O2 -","- C88 H92 N52 Ni4 O4 -","2","0.5","","Vaddypally, Shivaiah; Kiselev, Vitaly G.; Byrne, Alex N.; Goldsmith, C. Franklin; Zdilla, Michael J.","Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring.","Chemical science","2020","12","6","2268","2275","10.1039/d0sc04949b","","","0.71073","MoKα","","0.0809","0.0461","","","0.0932","0.1055","","","","","","1.03","","","","has coordinates,has disorder","267087","2021-07-05","16:55:04",""
"1559758","8.1323","0.0002","8.1695","0.0002","19.3253","0.0004","90","","90.803","0.001","90","","1283.79","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C56 H76 N12 O8 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0507","0.0448","","","0.1036","0.1067","","","","","","1.119","","","","has coordinates,has disorder","267082","2021-07-05","16:53:30",""
"1559759","8.0314","0.0002","8.1488","0.0002","19.2027","0.0005","90","","90.5479","0.0017","90","","1256.69","0.05","100","","99.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O3 -","- C13 H17 N3 O3 -","- C52 H68 N12 O12 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0449","0.0378","","","0.0952","0.0998","","","","","","1.049","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559760","13.4226","0.0006","7.6316","0.0004","22.4832","0.0011","90","","90","","90","","2303.09","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C104 H120 N24 O16 -","8","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0543","0.0413","","","0.0977","0.1046","","","","","","1.047","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559761","7.6118","0.0002","9.3656","0.0003","12.1634","0.0004","93.7306","0.0019","95.39","0.002","108.127","0.0018","816.35","0.04","100","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N3 O2.5 -","- C18 H26 N3 O2.5 -","- C36 H52 N6 O5 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0557","0.0428","","","0.1072","0.115","","","","","","1.039","","","","has coordinates,has disorder","267082","2021-07-05","16:53:30",""
"1559762","7.1405","0.0003","8.577","0.0004","11.9704","0.0006","73.957","0.003","88.399","0.003","78.976","0.003","691.32","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H21 N3 O2 -","- C15 H21 N3 O2 -","- C30 H42 N6 O4 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0471","0.0395","","","0.0994","0.104","","","","","","1.045","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559763","7.0488","0.0002","8.6329","0.0003","12.6463","0.0005","88.989","0.002","74.751","0.002","77.777","0.002","725.03","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C34 H42 N6 O2 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0433","0.0378","","","0.0899","0.094","","","","","","1.034","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559764","6.9675","0.0012","8.6877","0.0014","12.0676","0.0019","87.02","0.011","74.121","0.011","77.399","0.012","685.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C32 H38 N6 O2 -","2","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0735","0.0466","","","0.102","0.114","","","","","","1.034","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559765","22.0392","0.0006","22.0392","0.0006","7.1184","0.0002","90","","90","","120","","2994.36","0.14","100","2","100","2","","","","","","","","4","P 31","P 31","144","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C135 H171 N27 O9 -","9","3","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0623","0.0444","","","0.0831","0.0905","","","","","","1.023","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559766","9.6859","0.0002","8.2156","0.0002","16.9618","0.0003","90","","106.12","0.001","90","","1296.67","0.05","100","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.053","0.0396","","","0.0968","0.1047","","","","","","1.014","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559767","8.3617","0.0003","13.8207","0.0006","16.0698","0.0006","90","","90","","90","","1857.1","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N6 O4 -","- C18 H26 N6 O4 -","- C72 H104 N24 O16 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0444","0.0355","","","0.0754","0.08","","","","","","1.018","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559768","14.0179","0.0005","13.6325","0.0005","22.7651","0.0007","90","","107.536","0.001","90","","4148.2","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0348","0.0337","","","0.0884","0.0896","","","","","","1.029","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559769","13.9524","0.0006","14.0942","0.0005","22.7794","0.0008","90","","106.433","0.0015","90","","4296.5","0.3","300","2","300","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0471","0.0372","","","0.0936","0.0993","","","","","","1.047","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559770","6.824","0.0008","14.6816","0.0018","21.469","0.003","90","","95.4","0.004","90","","2141.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1583","0.0572","","","0.1092","0.1405","","","","","","1.009","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559771","14.0444","0.0004","13.7744","0.0004","22.8418","0.0007","90","","107.59","0.001","90","","4212.2","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0439","0.0412","","","0.1098","0.1134","","","","","","1.025","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559772","19.158","0.0007","6.7794","0.0003","17.4666","0.0006","90","","109.362","0.001","90","","2140.25","0.14","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0585","0.0542","","","0.1407","0.1462","","","","","","1.034","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559773","6.6696","0.0002","14.9431","0.0005","21.3309","0.0007","90","","95.362","0.002","90","","2116.63","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.053","0.0492","","","0.1218","0.1266","","","","","","1.067","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559774","6.7928","0.0004","14.5649","0.0008","21.3902","0.0012","90","","95.7754","0.0016","90","","2105.5","0.2","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1748","0.0596","","","0.1075","0.1391","","","","","","1.017","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559775","6.6763","0.0005","15.0587","0.0011","21.4299","0.0015","90","","94.94","0.002","90","","2146.5","0.3","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.1814","0.0542","","","0.0895","0.1229","","","","","","0.988","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559776","6.657","0.0003","14.852","0.0006","21.2537","0.0008","90","","95.721","0.001","90","","2090.88","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 F8 N4 -","- C54 H37 F8 N4 -","- C108 H74 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0507","0.0474","","","0.1231","0.1276","","","","","","1.066","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559777","19.0865","0.0008","6.767","0.0003","17.3518","0.0007","90","","109.354","0.001","90","","2114.48","0.16","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0391","0.0381","","","0.0991","0.1005","","","","","","1.045","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559778","6.6803","0.0002","15.0128","0.0005","21.3972","0.0007","90","","95.143","0.001","90","","2137.29","0.12","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0652","0.0588","","","0.1355","0.1439","","","","","","1.068","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559779","6.7657","0.0003","14.4934","0.0006","21.3307","0.001","90","","96.1667","0.0013","90","","2079.54","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.71073","MoKα","","0.0755","0.0613","","","0.143","0.1503","","","","","","1.131","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559780","9.148","0.0004","22.6374","0.001","11.7158","0.0005","90","","105.813","0.002","90","","2334.37","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 -","- C30 H29 N3 -","- C120 H116 N12 -","4","1","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.047","0.0409","","","0.1089","0.1144","","","","","","1.027","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559781","19.1368","0.0008","6.7789","0.0003","17.4066","0.0008","90","","109.373","0.001","90","","2130.24","0.16","150","2","150","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0606","0.0585","","","0.1458","0.1484","","","","","","1.045","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559782","6.6613","0.0003","14.8875","0.0006","21.2797","0.0008","90","","95.554","0.002","90","","2100.4","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 F8 N4 -","- C54 H37 F8 N4 -","- C108 H74 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0566","0.0526","","","0.1318","0.1376","","","","","","1.063","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559783","19.2225","0.0009","6.7835","0.0003","17.5663","0.0008","90","","109.337","0.002","90","","2161.35","0.17","250","2","250","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0609","0.0572","","","0.1497","0.1549","","","","","","1.049","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559784","19.2767","0.0006","6.7799","0.0002","17.6615","0.0006","90","","109.29","0.001","90","","2178.67","0.12","301","2","301","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C108 H76 F16 N8 -","2","0.5","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0629","0.058","","","0.1585","0.1661","","","","","","1.048","","","","has coordinates,has disorder","267084","2021-07-05","16:54:06",""
"1559785","14.0331","0.0004","13.6998","0.0004","22.8049","0.0007","90","","107.555","0.001","90","","4180.1","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H38 F8 N4 -","- C54 H38 F8 N4 -","- C216 H152 F32 N16 -","4","2","","Navarro-Huerta, Armando; Jellen, Marcus J.; Arcudia, Jessica; Teat, Simon J.; Toscano, Rubén A; Merino, Gabriel; Rodríguez-Molina, Braulio","Tailoring the cavities of hydrogen-bonded amphidynamic crystals using weak contacts: towards faster molecular machines.","Chemical science","2020","12","6","2181","2188","10.1039/d0sc05899h","","","0.7288","synchrotron","","0.0372","0.0355","","","0.0945","0.0965","","","","","","1.037","","","","has coordinates","267084","2021-07-05","16:54:06",""
"1559786","32.5994","0.0018","32.7694","0.0018","35.206","0.002","104.753","0.003","98.873","0.003","104.933","0.003","34154","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H525 Ce4 Mo126 N21 Na4 O623 -","- C39 H44 Ce4 Mo126 N19.8 Na0.3 O525.336 -","- C78 H88 Ce8 Mo252 N39.6 Na0.6 O1050.67 -","2","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1904","0.1058","","","0.2596","0.3433","","","","","","1.014","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559787","34.8531","0.0017","45.172","0.002","20.9243","0.001","90","","90","","90","","32943","3","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H521 Ce4 Mo124 N16 Na3 O616 -","- C36 H60 Ce4 Mo124 N16 O512.6 -","- C72 H120 Ce8 Mo248 N32 O1025.2 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0891","0.0593","","","0.1424","0.1622","","","","","","1.028","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559788","34.884","0.005","45.668","0.006","20.929","0.003","90","","90","","90","","33342","8","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H531 Ce4 Mo124 N16 Na3 O617 -","- C36 H60 Ce4 Mo124 N16 O486.4 -","- C72 H120 Ce8 Mo248 N32 O972.8 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0959","0.0686","","","0.1726","0.2051","","","","","","1.093","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559789","32.444","0.003","32.749","0.004","35.233","0.004","104.665","0.006","98.814","0.006","104.742","0.006","34063","7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H535 Ce4 Mo126 N24 Na3 O626 -","- C43.2 H45.6 Ce3.8 Mo125.834 N21 Na0.85 O515.35 -","- C86.4 H91.2 Ce7.6 Mo251.669 N42 Na1.7 O1030.7 -","2","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1479","0.0887","","","0.2247","0.2931","","","","","","1.106","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559790","34.6572","0.0014","45.43","0.0018","20.9741","0.0008","90","","90","","90","","33023","2","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C40 H516 Ce4 Mo124 N20 Na2 O610 -","- C32 H52 Ce4 Mo124 N16 O452 -","- C64 H104 Ce8 Mo248 N32 O904 -","2","0.5","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.0336","0.0285","","","0.0678","0.0714","","","","","","1.022","","","","has coordinates","267090","2021-07-05","16:56:20",""
"1559791","38.1062","0.0017","38.2685","0.0016","46.9136","0.0019","90","","90","","90","","68413","5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H535 Ce5 Mo122 N20 Na2 O616 -","- C35 H48 Ce5 Mo122 N17.5 O507.25 -","- C140 H192 Ce20 Mo488 N70 O2029 -","4","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1091","0.0766","","","0.1927","0.2314","","","","","","1.086","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559792","9.10295","0.00012","9.10295","0.00012","9.10295","0.00012","90","","90","","90","","754.304","0.017","100","0.1","100","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- B6.001 H14.002 N2 -","- B6 H14.0002 N2.00016 -","- B24 H56.0006 N8.00064 -","4","0.0208333","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0105","0.0095","","","0.0234","0.0236","","","","","","0.9106","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559793","5.45095","0.00005","5.45095","0.00005","5.45095","0.00005","90","","90","","90","","161.963","0.003","100","1","99.97","0.1","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ca F2 -","- Ca0.99984 F2.00016 -","- Ca3.99936 F8.00064 -","4","0.0208333","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.56087","AgKα","","0.0114","0.0114","","","0.0279","0.0279","","","","","","1.0864","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559794","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0196","0.0196","","","0.0332","0.0332","","","","","","1.2147","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559795","16.2023","0.0011","16.2023","0.0011","5.6943","0.0004","90","","90","","120","","1294.57","0.15","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C6.286 H6 O2.57 -","- C6.285 H6 O2.57 -","- C56.565 H54 O23.13 -","9","0.5","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.71073","MoKα","","0.0162","0.0145","","","0.0332","0.0338","","","","","","1.1216","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559796","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.5259","synchrotron","","0.0158","0.0158","","","0.0308","0.0308","","","","","","1.2843","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559797","6.9196","0.0001","14.5749","0.0002","9.7248","0.0001","90","","90.637","0.001","90","","980.71","0.02","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 F2 N4 -","- C10 H10 F2 N4 -","- C40 H40 F8 N16 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.71073","MoKα","","0.0288","0.0214","","","0.0454","0.0483","","","","","","1.0794","","","","has coordinates,has disorder","267059","2021-07-05","16:48:19",""
"1559798","10.8918","0.0001","13.7619","0.0001","17.0714","0.0002","90","","98.563","0.001","90","","2530.34","0.04","120","0.1","120","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Os P2 -","- C24 H44 Os P2 -","- C96 H176 Os4 P8 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0143","0.0119","","","0.0185","0.0189","","","","","","1.0722","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559799","9.9377","0.0008","13.2229","0.001","17.1785","0.0013","71.337","0.001","73.927","0.001","77.882","0.001","2036.7","0.3","184.5","","184.5","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H50 Ca N6 O P Si2 -","- C36 H50 Ca N6 O P Si2 -","- C72 H100 Ca2 N12 O2 P2 Si4 -","2","1","","Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei","Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes","Polymer Chemistry","2021","12","10","1518","1525","10.1039/D0PY01397H","","","0.71073","MoKα","","0.0852","0.0601","","","0.164","0.1875","","","","","","1.026","","","","has coordinates,has disorder","263858","2021-04-05","15:22:07",""
"1559800","11.2638","0.0009","12.9788","0.001","17.8234","0.0014","93.419","0.001","100.831","0.001","95.152","0.001","2541","0.3","184.5","0.2","184.5","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H55 Ca N6 O3 P Si2 -","- C47 H55 Ca N6 O3 P Si2 -","- C94 H110 Ca2 N12 O6 P2 Si4 -","2","1","","Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei","Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes","Polymer Chemistry","2021","12","10","1518","1525","10.1039/D0PY01397H","","","0.71073","MoKα","","0.1095","0.0811","","","0.2092","0.2303","","","","","","0.966","","","","has coordinates","263858","2021-04-05","15:22:08",""
"1559811","25.6008","0.0009","7.0486","0.0002","21.7397","0.0007","90","","114.951","0.001","90","","3556.8","0.2","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 F6 N2 O P -","- C17 H19 F6 N2 O P -","- C136 H152 F48 N16 O8 P8 -","8","2","","Whitaker, Daniel J.; Huang, Zehuan; Longbottom, Brooke W.; Sala, Renata L.; Wu, Guanglu; Scherman, Oren A.","Supramolecular hydrogels prepared from fluorescent alkyl pyridinium acrylamide monomers and CB[8]","Polymer Chemistry","2021","12","4","519","525","10.1039/D0PY01374A","","","1.54178","CuKα","","0.0667","0.057","","","0.1477","0.1554","","","","","","1.032","","","","has coordinates","261769","2021-02-04","23:32:04",""
"1559814","6.1281","0.0002","27.1638","0.0005","28.2117","0.0007","90","","91.472","0.002","90","","4694.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Benzyl 3-(((4S,5R)-2-oxo-4,5-diphenyloxazolidin-3-yl)methyl)pentanoate","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C224 H232 N8 O32 -","8","4","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0692","0.0553","","","0.1294","0.137","","","","","","1.037","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1559815","6.44725","0.00004","10.18619","0.00006","22.76512","0.00012","101.785","0.0005","91.4615","0.0005","98.5773","0.0005","1444.75","0.015","173","0.1","173","0.1","","","","","","","","4","P 1","P 1","1","","Ethyl 2-((8R,9S,13S,14S,16S,17S)-17-((tert-butyldimethylsilyl)oxy)-3-methoxy- 13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)acetate","","- C29 H46 O4 Si -","- C29 H46 O4 Si -","- C58 H92 O8 Si2 -","2","2","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0528","0.0501","","","0.138","0.1512","","","","","","1.081","","","","has coordinates","267083","2021-07-05","16:53:39",""
"1559816","6.1518","0.00006","60.5855","0.0006","6.15597","0.00007","90","","106.532","0.0011","90","","2199.54","0.04","90","0.9","90","0.9","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-((R)-5-oxotetrahydrofuran-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate","","- C25 H36 O4 -","- C25 H36 O4 -","- C100 H144 O16 -","4","2","","Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe","A Giese reaction for electron-rich alkenes.","Chemical science","2020","12","6","2225","2230","10.1039/d0sc06341j","","x-ray","1.54184","CuKα","","0.0486","0.0455","","","0.1155","0.1192","","","","","","1.035","","","","has coordinates","267083","2021-07-05","16:53:39",""
"1559817","11.5844","0.0005","12.7186","0.0005","19.132","0.0007","86.186","0.003","77.9","0.003","80.916","0.003","2720.03","0.19","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C59 H46 B F21 Mg N2 -","- C59 H46 B F21 Mg N2 -","- C118 H92 B2 F42 Mg2 N4 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","0.71073","MoKα","","0.0828","0.0535","","","0.1172","0.1324","","","","","","1.057","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559818","18.6127","0.0003","17.9643","0.0002","18.7424","0.0003","90","","102.994","0.0014","90","","6106.32","0.16","100","0.3","100","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H58 B Br F20 Mg N2 -","- C65 H58 B Br F20 Mg N2 -","- C260 H232 B4 Br4 F80 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0321","0.0298","","","0.0735","0.0751","","","","","","1.026","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559819","18.3734","0.0001","18.0983","0.0001","19.7295","0.0001","90","","98.061","0.001","90","","6495.77","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H63 B F22 Mg N2 -","- C71 H63 B F22 Mg N2 -","- C284 H252 B4 F88 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0352","0.0307","","","0.0773","0.0792","","","","","","1.022","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559820","11.3521","0.0003","15.9191","0.0005","24.738","0.0007","74.924","0.003","85.545","0.002","89.29","0.002","4303.5","0.2","100","0.6","100","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C71 H63 Al2 F57 Mg N2 O6 -","- C71 H63 Al2 F57 Mg N2 O6 -","- C142 H126 Al4 F114 Mg2 N4 O12 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0452","0.04","","","0.1001","0.1046","","","","","","1.024","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559821","12.2177","0.0003","15.9583","0.0005","17.8965","0.0005","102.494","0.003","106.268","0.002","96.734","0.002","3210.89","0.17","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H56 B F23 Mg N2 -","- C71 H56 B F23 Mg N2 -","- C142 H112 B2 F46 Mg2 N4 -","2","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","1.54184","CuKα","","0.0462","0.0403","","","0.102","0.1069","","","","","","1.052","","","","has coordinates,has disorder","267093","2021-07-05","16:57:10",""
"1559822","18.7237","0.0005","18.0226","0.0004","18.7649","0.0005","90","","102.692","0.003","90","","6177.5","0.3","100.02","0.16","100.02","0.16","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H58 B F20 I Mg N2 -","- C65 H58 B F20 I Mg N2 -","- C260 H232 B4 F80 I4 Mg4 N8 -","4","1","","Friedrich, Alexander; Pahl, Jürgen; Eyselein, Jonathan; Langer, Jens; van Eikema Hommes, Nico; Görling, Andreas; Harder, Sjoerd","Magnesium-halobenzene bonding: mapping the halogen sigma-hole with a Lewis-acidic complex.","Chemical science","2020","12","7","2410","2418","10.1039/d0sc06321e","","x-ray","0.71073","MoKα","","0.0569","0.0388","","","0.0844","0.0927","","","","","","1.021","","","","has coordinates","267093","2021-07-05","16:57:10",""
"1559823","15.8604","0.0011","11.0803","0.0008","9.0716","0.0006","90","","109.9","0.002","90","","1499.03","0.18","185","2","185.01","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0502","0.0393","","","0.1014","0.1105","","","","","","1.073","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559824","8.895","0.0008","12.069","0.001","15.1617","0.0015","103.06","0.003","94.575","0.003","103.138","0.003","1529.2","0.2","180","2","180.01","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","1","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.1146","0.0814","","","0.203","0.2294","","","","","","1.046","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559825","17.127","0.0009","8.8196","0.0004","21.3425","0.0012","90","","103.355","0.002","90","","3136.7","0.3","153","2","153.01","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H64 F24 N8 P4 -","- C56 H64 F24 N8 P4 -","- C112 H128 F48 N16 P8 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.093","0.0634","","","0.1539","0.1767","","","","","","1.035","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559826","8.9095","0.0004","41.3302","0.0017","26.6661","0.0011","90","","90","","90","","9819.3","0.7","200","2","200.02","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C104 H100 Ag2 B2 N8 -","- C104 H100 Ag2 B2 N8 -","- C416 H400 Ag8 B8 N32 -","4","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0453","0.0361","","","0.087","0.0931","","","","","","1.051","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559827","8.0294","0.0008","19.1408","0.0016","19.9693","0.0018","90","","94.97","0.003","90","","3057.5","0.5","150","2","150.01","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C61.5 H44.5 F10.5 N9 O11.5 S3.5 -","- C61.5 H44.5 F10.5 N9 O11.5 S3.5 -","- C123 H89 F21 N18 O23 S7 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0988","0.0686","","","0.1876","0.2131","","","","","","1.05","","","","has coordinates,has disorder","267086","2021-07-05","16:54:54",""
"1559828","9.2542","0.0012","15.7442","0.0018","9.9997","0.0013","90","","94.804","0.004","90","","1451.8","0.3","150","2","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 N8 -","- C40 H28 N8 -","- C80 H56 N16 -","2","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0483","0.038","","","0.0905","0.0977","","","","","","1.058","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559829","6.4661","0.0011","8.1703","0.0013","10.3854","0.0017","69.264","0.005","78.354","0.005","79.8","0.006","499.2","0.14","180","2","179.98","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C28 H18 N4 -","1","0.5","","Bai, Sha; Ma, Li-Li; Yang, Tao; Wang, Fang; Wang, Li-Feng; Hahn, F. Ekkehardt; Wang, Yao-Yu; Han, Ying-Feng","Supramolecular-induced regiocontrol over the photochemical [4 + 4] cyclodimerization of NHC- or azole-substituted anthracenes.","Chemical science","2020","12","6","2165","2171","10.1039/d0sc06017h","","","0.71073","MoKα","","0.0638","0.0588","","","0.1394","0.1432","","","","","","1.104","","","","has coordinates","267086","2021-07-05","16:54:54",""
"1559845","21.6511","0.0004","21.3564","0.0004","22.0916","0.0004","90","","90","","90","","10214.9","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C189 H28 S10 Th2 -","- C189 H28 S10.008 Th2 -","- C756 H112 S40.032 Th8 -","4","0.5","","Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning","Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.","Chemical science","2020","12","7","2488","2497","10.1039/d0sc06111e","","","1.54178","CuKα","","0.0305","0.0289","","","0.0748","0.0761","","","","","","1.06","","","","has coordinates,has disorder","267091","2021-07-05","16:56:32",""
"1559846","11.3037","0.0007","21.8879","0.0012","20.9098","0.0013","90","","101.257","0.003","90","","5073.9","0.5","120","2","119.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H14 S2 U -","- C93 H14 S2 U -","- C372 H56 S8 U4 -","4","1","","Liu, Xinye; Li, Bo; Yang, Wei; Yao, Yang-Rong; Yang, Le; Zhuang, Jiaxin; Li, Xiaomeng; Jin, Peng; Chen, Ning","Synthesis and characterization of carbene derivatives of Th@<i>C</i> <sub>3v</sub>(8)-C<sub>82</sub> and U@<i>C</i> <sub>2v</sub>(9)-C<sub>82</sub>: exceptional chemical properties induced by strong actinide-carbon cage interaction.","Chemical science","2020","12","7","2488","2497","10.1039/d0sc06111e","","","1.54178","CuKα","","0.1287","0.0957","","","0.2438","0.2823","","","","","","1.05","","","","has coordinates","267091","2021-07-05","16:56:32",""
"1559850","16.6461","0.0014","17.2299","0.0016","24.132","0.002","90","","102.636","0.004","90","","6753.7","1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 B2 Fe N10 -","- C34.888 H35.888 B2 Fe N10 -","- C279.104 H287.104 B16 Fe8 N80 -","8","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0937","0.0441","","","0.1222","0.1395","","","","","","1.057","","","","has coordinates,has disorder","267085","2021-07-05","16:54:27",""
"1559851","12.5636","0.0009","13.684","0.001","20.5835","0.0017","98.128","0.005","100.359","0.005","115.218","0.005","3053.3","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C65 H63 B4 Fe2 N20 -","- C65 H63 B4 Fe2 N20 -","- C130 H126 B8 Fe4 N40 -","2","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0888","0.0546","","","0.1325","0.1502","","","","","","1.036","","","","has coordinates","267085","2021-07-05","16:54:29",""
"1559852","11.98","0.0002","25.1657","0.0005","14.4893","0.0003","90","","114.204","0.001","90","","3984.3","0.14","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 B2 F6 Fe N10 Sb -","- C37 H38 B2 F6 Fe N10 Sb -","- C148 H152 B8 F24 Fe4 N40 Sb4 -","4","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0593","0.0447","","","0.1117","0.1195","","","","","","1.04","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559853","10.252","0.005","12.025","0.005","18.4","0.008","104.192","0.005","92.618","0.005","112.901","0.005","2000.4","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H41 B2 Br Fe N9 -","- C43 H41 B2 Br Fe N9 -","- C86 H82 B4 Br2 Fe2 N18 -","2","1","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","0.71073","MoKα","","0.1238","0.0521","","","0.0779","0.0964","","","","","","0.997","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559854","8.245","0.0004","19.3287","0.001","18.0484","0.0009","90","","90","","90","","2876.3","0.2","173","","173","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C31 H29 B2 F Fe N9 -","- C31 H29 B2 F Fe N9 -","- C124 H116 B8 F4 Fe4 N36 -","4","0.5","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","0.71073","MoKα","","0.0657","0.0432","","","0.1125","0.1285","","","","","","1.073","","","","has coordinates","267085","2021-07-05","16:54:38",""
"1559855","18.7182","0.0007","24.1607","0.0011","23.662","0.0009","90","","98.957","0.003","90","","10570.5","0.7","173","","173","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C45 H50 B2 Fe N10 O -","- C45 H50 B2 Fe N10 O -","- C360 H400 B16 Fe8 N80 O8 -","8","2","","Nurdin, Lucie; Yang, Yan; Neate, Peter G. N.; Piers, Warren E.; Maron, Laurent; Neidig, Michael L.; Lin, Jian-Bin; Gelfand, Benjamin S.","Activation of ammonia and hydrazine by electron rich Fe(ii) complexes supported by a dianionic pentadentate ligand platform through a common terminal Fe(iii) amido intermediate.","Chemical science","2020","12","6","2231","2241","10.1039/d0sc06466a","","","1.54178","CuKα","","0.0915","0.0677","","","0.1758","0.1953","","","","","","1.029","","","","has coordinates,has disorder","267085","2021-07-05","16:54:38",""
"1559856","9.294","0.0005","15.3277","0.0007","11.7365","0.0005","90","","107.92","0.002","90","","1590.82","0.13","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C30 H50 B2 N2 Ni O2 P2 -","- C30 H49.532 B2 N2 Ni O2 P2 -","- C60 H99.064 B4 N4 Ni2 O4 P4 -","2","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.56087","AgKα","","0.0504","0.0425","","","0.0988","0.1029","","","","","","1.053","","","","has coordinates,has disorder","267094","2021-07-05","16:57:21",""
"1559857","9.273","0.002","18.201","0.004","11.69","0.003","90","","106.121","0.008","90","","1895.4","0.8","208","","208","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 B2 N2 O4 -","- C20 H24 B2 N2 O4 -","- C80 H96 B8 N8 O16 -","4","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.0702","0.0522","","","0.1393","0.1548","","","","","","1.047","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559858","17.5213","0.0007","20.1284","0.0007","12.3444","0.0005","90","","90","","90","","4353.6","0.3","193","","193","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H55 B2 N3 Ni O4 P2 -","- C36 H55 B2 N3 Ni O4 P2 -","- C144 H220 B8 N12 Ni4 O16 P8 -","4","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.0479","0.0377","","","0.0884","0.0931","","","","","","1.005","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559859","22.532","0.002","11.3598","0.0009","26.302","0.002","90","","104.066","0.004","90","","6530.4","0.9","193","","193","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 B2 N2 Ni O2 P2 -","- C30 H48 B2 N2 Ni O2 P2 -","- C240 H384 B16 N16 Ni8 O16 P16 -","8","1","","Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor","Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H<sub>2</sub>.","Chemical science","2020","12","7","2540","2548","10.1039/d0sc06014c","","","0.71073","MoKα","","0.065","0.0397","","","0.0807","0.0961","","","","","","1.149","","","","has coordinates","267094","2021-07-05","16:57:21",""
"1559860","8.3399","0.0004","27.1397","0.0012","11.0226","0.0005","90","","100.071","0.004","90","","2456.4","0.2","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 K O8 -","- C25 H31 K O8 -","- C100 H124 K4 O32 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.1199","0.1134","","","0.3001","0.3068","","","","","","1.045","","","","has coordinates","267050","2021-07-05","16:44:39",""
"1559861","14.2195","0.001","34.538","0.0019","13.8905","0.0009","90","","113.176","0.008","90","","6271.3","0.8","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H81 K2 N2 O14 -","- C66 H81 K2 N2 O14 -","- C264 H324 K8 N8 O56 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.151","0.1198","","","0.3097","0.3471","","","","","","1.053","","","","has coordinates","267050","2021-07-05","16:44:50",""
"1559862","14.237","0.0001","18.7126","0.0002","19.1013","0.0002","90","","90","","90","","5088.8","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H69 K2 O14 -","- C51 H69 K2 O14 -","- C204 H276 K8 O56 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.0415","0.0407","","","0.1069","0.1077","","","","","","1.028","","","","has coordinates","267050","2021-07-05","16:44:53",""
"1559874","11.8889","0.0004","14.4911","0.0005","14.9954","0.0005","90","","104.794","0.002","90","","2497.81","0.15","144","2","144","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Cl6 D2 N2 O10 -","- C54 H42 Cl6 D2 N2 O10 -","- C108 H84 Cl12 D4 N4 O20 -","2","0.5","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","1.54178","CuKα","","0.0968","0.0869","","","0.2166","0.222","","","","","","1.079","","","","has coordinates,has disorder","267051","2021-07-05","16:45:04",""
"1559875","10.8152","0.0002","12.5754","0.0002","20.1202","0.0003","90","","90","","90","","2736.46","0.08","252","2","252","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N3 O5 -","- C30 H27 N3 O5 -","- C120 H108 N12 O20 -","4","1","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","1.54178","CuKα","","0.043","0.0363","","","0.0857","0.0925","","","","","","1.052","","","","has coordinates,has disorder","267051","2021-07-05","16:45:05",""
"1559876","19.2448","0.0005","19.2448","0.0005","26.8461","0.0008","90","","90","","90","","9942.8","0.5","193","2","193","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C55 H46 Cl2 N2 O11 -","- C55 H46 Cl2 N2 O11 -","- C440 H368 Cl16 N16 O88 -","8","1","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","0.71073","MoKα","","0.0791","0.0477","","","0.1107","0.133","","","","","","1.019","","","","has coordinates","267051","2021-07-05","16:45:05",""
"1559888","12.1157","0.0004","6.1134","0.0002","9.97","0.0003","90","","90","","90","","738.46","0.04","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H4 D6 O6 -","- C7 H4 D6 O6 -","- C28 H16 D24 O24 -","4","1","","Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J.","Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes","Chemical Science","2021","12","7","2549","2557","10.1039/D0SC06219G","","","1.54184","CuKα","","0.031","0.0309","","0.0816","0.0816","0.0816","","","","","","1.0267","","","","has coordinates","262547","2021-03-05","01:39:02",""
"1559889","10.4164","0.0002","6.6513","0.0002","11.2592","0.0002","90","","96.9535","0.0017","90","","774.33","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O8 -","- C14 H18 O8 -","- C28 H36 O16 -","2","1","","Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J.","Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes","Chemical Science","2021","12","7","2549","2557","10.1039/D0SC06219G","","","1.5418","CuKα","","0.023","0.0229","","0.0591","0.059","0.0591","","","","","","1.0108","","","","has coordinates","262547","2021-03-05","01:39:03",""
"1559890","6.2203","0.0004","17.3233","0.0009","11.9123","0.0006","90","","92.951","0.005","90","","1281.92","0.12","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-4-hydroxy-4-oxo-but-2-enoate; (3-methoxy-2-thienyl)methyl- [2-[(7R)-7-(2-pyridyl)-10-oxaspiro[4.5]decan-7-yl]ethyl]ammonium","","- C26 H34 N2 O6 S -","- C26 H34 N2 O6 S -","- C52 H68 N4 O12 S2 -","2","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","","1.54184","CuKα","","0.0669","0.0543","","","0.1535","0.1715","","","","","","1.068","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559891","11.9345","0.0013","7.2394","0.0008","22.679","0.002","90","","99.029","0.011","90","","1935.2","0.4","293","2","293.15","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C26 H25 O -","- C26 H25 O -","- C104 H100 O4 -","4","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","x-ray","0.71073","MoKα","","0.0749","0.053","","","0.1194","0.1344","","","","","","1.046","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559892","9.4684","0.0006","10.1128","0.0006","11.1589","0.0009","111.746","0.007","114.773","0.007","91.316","0.005","880.77","0.13","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O -","- C23 H24 O -","- C46 H48 O2 -","2","1","","Hao, Taotao; Yang, Yongsheng; Liang, Wenting; Fan, Chunying; Wang, Xin; Wu, Wanhua; Chen, Xiaochuan; Fu, Haiyan; Chen, Hua; Yang, Cheng","Trace mild acid-catalysed <i>Z</i> →<i>E</i> isomerization of norbornene-fused stilbene derivatives: intelligent chiral molecular photoswitches with controllable self-recovery.","Chemical science","2020","12","7","2614","2622","10.1039/d0sc05213b","","x-ray","0.71073","MoKα","","0.0685","0.0473","","","0.1125","0.1276","","","","","","1.03","","","","has coordinates","267092","2021-07-05","16:56:39",""
"1559907","12.5601","0.0003","7.39591","0.0002","14.8102","0.0004","90","","98.207","0.003","90","","1361.68","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 B Fe N -","- C12 H22 B Fe N -","- C48 H88 B4 Fe4 N4 -","4","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","x-ray","0.71","MoKα","","0.0589","0.0432","","","0.1039","0.1137","","","","","","1.077","","","","has coordinates,has disorder","263688","2021-04-05","14:20:09",""
"1559908","12.9415","0.0003","14.6375","0.0004","19.3031","0.0005","103.817","0.002","92.601","0.002","92.604","0.002","3541.17","0.16","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C68 H60 B2 F24 Fe N O2 P -","- C68 H60 B2 F24 Fe N O2 P -","- C136 H120 B4 F48 Fe2 N2 O4 P2 -","2","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","x-ray","1.54184","CuKα","","0.0924","0.0765","","","0.2084","0.2379","","","","","","1.074","","","","has coordinates,has disorder","263688","2021-04-05","14:20:10",""
"1559909","13.1206","0.0002","16.6063","0.0002","36.1078","0.0005","90","","93.609","0.001","90","","7851.73","0.19","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H67 B2 F24 Fe N P2 -","- C78 H57.4 B2 F24 Fe N P2 -","- C312 H229.6 B8 F96 Fe4 N4 P8 -","4","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","x-ray","1.54184","CuKα","","0.0973","0.0806","","","0.2199","0.2347","","","","","","1.024","","","","has coordinates,has disorder","263688","2021-04-05","14:20:10",""
"1559910","15.3228","0.0002","26.7339","0.0003","35.8973","0.0004","90","","99.93","0.001","90","","14484.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 B Fe N P -","- C28 H31 B Fe N P -","- C672 H744 B24 Fe24 N24 P24 -","24","6","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","","1.54184","CuKα","","0.0954","0.0541","","","0.1418","0.171","","","","","","1.002","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1559911","10.668","0.004","10.792","0.004","21.922","0.008","90","","92.119","0.003","90","","2522.1","1.6","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 B Fe N P -","- C28 H33 B Fe N P -","- C112 H132 B4 Fe4 N4 P4 -","4","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","","0.71","synchrotron","","0.0554","0.037","","","0.0892","0.102","","","","","","1.0753","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559946","12.8322","0.0003","19.9878","0.0003","20.044","0.0005","90","","90","","90","","5141.03","0.19","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","csiMOF-6","","- C30 H14 Cd N4 O8 S -","- C30 H14 Cd N4 O8 S -","- C120 H56 Cd4 N16 O32 S4 -","4","0.5","","Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M.","A cofacial metal‒organic framework based photocathode for carbon dioxide reduction","Chemical Science","2021","12","10","3608","3614","10.1039/D0SC04691D","","","1.54178","CuKα","","0.0723","0.0611","","","0.1993","0.2123","","","","","","0.924","","","","has coordinates,has disorder","263672","2021-04-05","14:16:17",""
"1559947","12.9936","0.0001","19.8725","0.0001","20.0366","0.0003","90","","90","","90","","5173.76","0.09","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","csiMOF-6","","- C30 H14 Cd N4 O8 S -","- C30 H14 Cd N4 O8 S -","- C120 H56 Cd4 N16 O32 S4 -","4","0.5","","Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M.","A cofacial metal‒organic framework based photocathode for carbon dioxide reduction","Chemical Science","2021","12","10","3608","3614","10.1039/D0SC04691D","","","1.54178","CuKα","","0.0679","0.0615","","","0.1811","0.1861","","","","","","1.155","","","","has coordinates,has disorder","263672","2021-04-05","14:16:21",""
"1559948","8.909","0.002","9.012","0.003","27.896","0.008","90","","92.832","0.01","90","","2237","1.1","385","2","385.05","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H34 I12 N4 Pb3 -","- C10 H34 I12 N4 Pb3 -","- C20 H68 I24 N8 Pb6 -","2","0.25","","Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua","A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection","Chemical Science","2021","12","8","3050","3054","10.1039/D0SC06112C","","","0.71073","MoKα","","0.1099","0.0948","","","0.262","0.2731","","","","","","1.068","","","","has coordinates,has disorder","263689","2021-04-05","14:20:16",""
"1559949","27.3848","0.0012","9.0015","0.0004","8.8216","0.0003","90","","95.999","0.001","90","","2162.65","0.15","290","2","290","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H34 I12 N4 Pb3 -","- C10 H34 I12 N4 Pb3 -","- C20 H68 I24 N8 Pb6 -","2","1","","Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua","A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection","Chemical Science","2021","12","8","3050","3054","10.1039/D0SC06112C","","","0.71073","MoKα","","0.0783","0.0627","","","0.1686","0.1831","","","","","","1.038","","","","has coordinates","263689","2021-04-05","14:20:16",""
"1559953","11.3867","0.0002","13.3132","0.0003","12.4183","0.0002","90","","92.717","0.002","90","","1880.42","0.06","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 F3 N2 O5 Pt S -","- C15 H19 F3 N2 O5 Pt S -","- C60 H76 F12 N8 O20 Pt4 S4 -","4","1","","Pal, Shrinwantu; Nozaki, Kyoko; Vedernikov, Andrei N.; Love, Jennifer A.","Reversible PtII‒CH3 deuteration without methane loss: metal‒ligand cooperation vs. ligand-assisted PtII-protonation","Chemical Science","2021","12","8","2960","2969","10.1039/D0SC06518H","","x-ray","0.71073","MoKα","","0.0299","0.0259","","","0.0528","0.0536","","","","","","1.195","","","","has coordinates,has disorder","263687","2021-04-05","14:19:54",""
"1559954","6.9704","0.0003","8.0097","0.0003","11.9695","0.0005","90","","100.105","0.002","90","","657.9","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H13 F2 N O4 S2 -","- C10 H13 F2 N O4 S2 -","- C20 H26 F4 N2 O8 S4 -","2","1","","Rossi, Maria-Agustina; Martinez, Veronica; Hinchliffe, Philip; Mojica, Maria F.; Castillo, Valerie; Moreno, Diego M.; Smith, Ryan; Spellberg, Brad; Drusano, George L.; Banchio, Claudia; Bonomo, Robert A.; Spencer, James; Vila, Alejandro J.; Mahler, Graciela","2-Mercaptomethyl-thiazolidines use conserved aromatic‒S interactions to achieve broad-range inhibition of metallo-β-lactamases","Chemical Science","2021","12","8","2898","2908","10.1039/D0SC05172A","","","0.71073","MoKα","","0.0362","0.0323","","","0.0844","0.0889","","","","","","1.115","","","","has coordinates,has disorder","263691","2021-04-05","14:20:29",""
"1559955","45.692","0.002","45.692","0.002","77.435","0.004","90","","90","","120","","140007","11","193","2","193","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C224 H252 Au44 S28 -","- C224 H252 Au44 S28 -","- C4032 H4536 Au792 S504 -","18","0.5","","Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan","Cd-driven surface reconstruction and photodynamics in gold nanoclusters","Chemical Science","2021","12","9","3290","3294","10.1039/D0SC05163B","","","0.71073","MoKα","","0.0923","0.0488","","","0.1309","0.1596","","","","","","1.016","","","","has coordinates","263693","2021-04-05","14:21:37",""
"1559956","35.243","0.003","36.193","0.003","46.321","0.004","78.898","0.003","74.68","0.003","79.183","0.003","55332","8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C240 H270 Au38 Cd4 S30 -","- C240 H270 Au38 Cd4 S30 -","- C1440 H1620 Au228 Cd24 S180 -","6","3","","Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan","Cd-driven surface reconstruction and photodynamics in gold nanoclusters","Chemical Science","2021","12","9","3290","3294","10.1039/D0SC05163B","","","0.71073","MoKα","","0.1086","0.0551","","","0.1486","0.175","","","","","","0.953","","","","has coordinates,has disorder","263693","2021-04-05","14:21:38",""
"1559978","7.0096","0.0004","11.6756","0.0006","17.1032","0.0009","96.573","0.002","98.931","0.002","99.536","0.002","1349.48","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N2 S2 -","- C30 H36 N2 S2 -","- C60 H72 N4 S4 -","2","1","","Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J.","N-Oxide S‒O chalcogen bonding in conjugated materials","Chemical Science","2021","12","6","2304","2312","10.1039/D0SC06583H","","","0.71073","MoKα","","0.1351","0.0549","","","0.0847","0.0969","","","","","","1.316","","","","has coordinates","262543","2021-03-05","01:38:02",""
"1559979","6.7333","0.0017","7.2344","0.0018","14.884","0.004","85.396","0.007","80.658","0.007","74.043","0.007","687.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 N2 O S2 -","- C30 H36 N2 O S2 -","- C30 H36 N2 O S2 -","1","0.5","","Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J.","N-Oxide S‒O chalcogen bonding in conjugated materials","Chemical Science","2021","12","6","2304","2312","10.1039/D0SC06583H","","","0.71073","MoKα","","0.0902","0.049","","","0.0892","0.0998","","","","","","1.203","","","","has coordinates","262543","2021-03-05","01:38:02",""
"1559980","5.974","0.005","16.697","0.005","14.741","0.005","90","0.005","91.617","0.005","90","0.005","1469.8","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu","C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)‒Pd(ii) catalysis vs. Pd(ii) catalysis","Chemical Science","2021","12","9","3216","3225","10.1039/D0SC05409G","","","0.71069","MoKα","","0.0837","0.065","","","0.1609","0.1724","","","","","","1.084","","","","has coordinates","263697","2021-04-05","14:22:52",""
"1559981","8.1516","0.0008","8.1871","0.0008","11.8093","0.0011","96.901","0.008","107.557","0.009","92.751","0.008","743.01","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","","Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu","C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)–Pd(ii) catalysis vs. Pd(ii) catalysis","Chemical Science","2021","12","9","3216","3225","10.1039/D0SC05409G","","","0.71073","MoKα","","0.06","0.0453","","","0.1279","0.1532","","","","","","0.702","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559982","21.3948","0.0019","27.211","0.003","29.938","0.004","80.347","0.01","70.094","0.009","67.283","0.008","15103","3","120","2","120","2","","","","","","","","10","P -1","-P 1","2","","","","- C285 H325 Ag21 Au B2 Cl2 Fe3 O2 P6 S12 -","- C285 H321 Ag21 Au0.9935 B2 Cl2 Fe3 P6 S12 -","- C570 H642 Ag42 Au1.987 B4 Cl4 Fe6 P12 S24 -","2","1","","Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou","New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts","Chemical Science","2021","12","10","3660","3667","10.1039/D0SC05923D","","","1.54186","CuKα","","0.1413","0.116","","","0.3142","0.3333","","","","","","1.328","","","","has coordinates","263677","2021-04-05","14:17:20",""
"1559983","21.412","0.0002","27.2727","0.0003","29.7612","0.0003","79.123","0.001","70.493","0.001","66.956","0.001","15040.9","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C298 H333 Ag22 B2 Fe3 P6 S12 -","- C298 H333 Ag22 B2 Fe3 P6 S12 -","- C596 H666 Ag44 B4 Fe6 P12 S24 -","2","1","","Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou","New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts","Chemical Science","2021","12","10","3660","3667","10.1039/D0SC05923D","","","1.54186","CuKα","","0.0872","0.0741","","","0.1974","0.2054","","","","","","1.057","","","","has coordinates","263677","2021-04-05","14:17:20",""
"1559984","14.315","0.004","21.977","0.006","26.509","0.009","90","","95.58","0.003","90","","8300","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Sm2-biph-K2","","- C84 H116 Fe2 K2 N4 Si4 Sm2 -","- C84 H116 Fe2 K2 N4 Si4 Sm2 -","- C336 H464 Fe8 K8 N16 Si16 Sm8 -","4","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","","0.71073","MoKα","","0.0347","0.028","","","0.0611","0.0648","","","","","","1.032","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559985","13.9723","0.0002","15.8539","0.0002","16.9858","0.0002","90","","90","","90","","3762.62","0.08","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(NNTBS)Yb(THF)3","","- C34 H62 Fe N2 O3 Si2 Yb -","- C34 H62 Fe N2 O3 Si2 Yb -","- C136 H248 Fe4 N8 O12 Si8 Yb4 -","4","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0183","0.0175","","","0.0397","0.0399","","","","","","1.033","","","","has coordinates","267046","2021-07-05","16:43:55",""
"1559986","11.5553","0.0005","12.3812","0.0006","12.4512","0.0006","112.215","0.005","96.684","0.004","113.262","0.004","1439.25","0.16","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","[(NNTBS)Yb(THF)]2","","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","- C52 H92 Fe2 N4 O2 Si4 Yb2 -","1","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0845","0.0752","","","0.1838","0.1914","","","","","","1.064","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559987","15.0158","0.0004","15.8062","0.0004","28.2213","0.0007","83.357","0.002","79.591","0.002","66.665","0.002","6041.8","0.3","180","0.1","180","0.1","","","","","","","","8","P -1","-P 1","2","","Sm2-biph-K2(18C6)2","","- C104 H182 Fe2 K2 N4 O18 Si4 Sm2 -","- C104 H182 Fe2 K2 N4 O18 Si4 Sm2 -","- C208 H364 Fe4 K4 N8 O36 Si8 Sm4 -","2","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0426","0.0313","","","0.0748","0.0795","","","","","","1.032","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559988","11.3145","0.0002","13.0374","0.0002","14.2432","0.0002","87.291","0.001","81.628","0.001","71.282","0.002","1968.71","0.06","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","(NNTBS)Yb(k3-18C6)","","- C34 H62 Fe N2 O6 Si2 Yb -","- C34 H62 Fe N2 O6 Si2 Yb -","- C68 H124 Fe2 N4 O12 Si4 Yb2 -","2","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0244","0.0214","","","0.0533","0.0545","","","","","","1.025","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559989","13.2467","0.0016","18.78","0.002","14.5436","0.0017","90","","100.579","0.001","90","","3556.6","0.7","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Yb2-K2-biph","","- C64 H106 Fe2 K2 N4 O2 Si4 Yb2 -","- C64 H106 Fe2 K2 N4 O2 Si4 Yb2 -","- C128 H212 Fe4 K4 N8 O4 Si8 Yb4 -","2","0.5","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","","0.71073","MoKα","","0.0365","0.0297","","","0.0645","0.0667","","","","","","1.104","","","","has coordinates","267046","2021-07-05","16:43:55",""
"1559990","10.201","0.0003","33.0414","0.0012","12.1739","0.0003","90","","105.418","0.003","90","","3955.6","0.2","180","0.1","180","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","(NNTSB)Yb(k4-18C6)","","- C34 H62 Fe N2 O6 Si2 Yb -","- C34 H62 Fe N2 O6 Si2 Yb -","- C136 H248 Fe4 N8 O24 Si8 Yb4 -","4","2","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0524","0.0439","","","0.0829","0.0851","","","","","","1.017","","","","has coordinates,has disorder","267046","2021-07-05","16:43:55",""
"1559991","26.9077","0.0006","7.4341","0.0003","11.4663","0.0016","90","","100.496","0.004","90","","2255.3","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","FcNMe2SO3Heptene","","- C23 H35 Fe N O3 S -","- C23 H35 Fe N O3 S -","- C92 H140 Fe4 N4 O12 S4 -","4","1","","Bitter, Stefan; Schlötter, Moritz; Schilling, Markus; Krumova, Marina; Polarz, Sebastian; Winter, Rainer F.","Ferro-self-assembly: magnetic and electrochemical adaptation of a multiresponsive zwitterionic metalloamphiphile showing a shape-hysteresis effect.","Chemical science","2020","12","1","270","281","10.1039/d0sc05249c","","","0.71073","MoKα","","0.0682","0.0463","","","0.1012","0.1147","","","","","","1.082","","","","has coordinates","267044","2021-07-05","16:43:03",""
"1559992","10.309","0.0002","13.9097","0.0002","15.4326","0.0003","90","","101.658","0.0001","90","","2167.31","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N3 O Pt -","- C29 H21 N3 O Pt -","- C116 H84 N12 O4 Pt4 -","4","1","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0332","0.0297","","","0.0724","0.0751","","","","","","1.071","","","","has coordinates","263695","2021-04-05","14:22:29",""
"1559993","11.8675","0.0009","12.4514","0.001","17.2457","0.0014","94.655","0.002","96.279","0.002","113.088","0.002","2308.6","0.3","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H17 F4 N3 O Pd -","- C29 H17 F4 N3 O Pd -","- C116 H68 F16 N12 O4 Pd4 -","4","2","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0899","0.0546","","","0.0942","0.106","","","","","","1.031","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1559994","9.3869","0.0003","11.7589","0.0002","11.9012","0.0003","117.792","0.001","105.826","0.001","94.593","0.001","1084.42","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H19 F2 N3 O Pt -","- C29 H19 F2 N3 O Pt -","- C58 H38 F4 N6 O2 Pt2 -","2","1","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0258","0.0248","","","0.0608","0.0619","","","","","","1.056","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1559995","22.8339","0.0003","9.8626","0.0002","22.7576","0.0003","90","","117.704","0.001","90","","4537.52","0.13","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C29 H17 F4 N3 O Pt -","- C29 H17 F4 N3 O Pt -","- C232 H136 F32 N24 O8 Pt8 -","8","2","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0632","0.0434","","","0.0827","0.0936","","","","","","1.069","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1559996","9.6007","0.0002","11.7181","0.0002","12.0959","0.0003","118.283","0.001","95.325","0.001","104.556","0.001","1123.48","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H17 F4 N3 O Pt -","- C29 H17 F4 N3 O Pt -","- C58 H34 F8 N6 O2 Pt2 -","2","1","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0247","0.0241","","","0.0621","0.0628","","","","","","1.042","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1559997","9.7932","0.0005","13.0955","0.0006","19.8473","0.001","90","","93.9044","0.0018","90","","2539.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H40 Cl O2 P Pd -","- C23 H40 Cl O2 P Pd -","- C92 H160 Cl4 O8 P4 Pd4 -","4","1","","Kim, Daeun; Choi, Geunho; Kim, Weonjeong; Kim, Dongwook; Kang, Youn K.; Hong, Soon Hyeok","The site-selectivity and mechanism of Pd-catalyzed C(sp<sup>2</sup>)-H arylation of simple arenes.","Chemical science","2020","12","1","363","373","10.1039/d0sc05414c","","","0.71073","MoKα","","0.0629","0.0604","","","0.1539","0.1551","","","","","","1.225","","","","has coordinates","267048","2021-07-05","16:44:13",""
"1559998","17.6663","0.0002","16.9578","0.0002","26.7308","0.0003","90","","106.76","","90","","7667.88","0.15","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H53 N5 Ni S2 U2 -","- C126 H53 N5 Ni S2 U2 -","- C504 H212 N20 Ni4 S8 U8 -","4","1","","Li, Xiaomeng; Roselló, Yannick; Yao, Yang-Rong; Zhuang, Jiaxin; Zhang, Xingxing; Rodríguez-Fortea, Antonio; de Graaf, Coen; Echegoyen, Luis; Poblet, Josep M.; Chen, Ning","U<sub>2</sub>N@<i>I</i> <sub>h</sub>(7)-C<sub>80</sub>: fullerene cage encapsulating an unsymmetrical U(iv)[double bond, length as m-dash]N[double bond, length as m-dash]U(v) cluster.","Chemical science","2020","12","1","282","292","10.1039/d0sc04677a","","","0.77484","synchrotron","","0.0393","0.0379","","","0.0979","0.0993","","","","","","1.035","","","","has coordinates,has disorder","267047","2021-07-05","16:44:06",""
"1559999","11.9921","0.0003","12.28439","0.00018","21.733","0.0005","94.518","0.0016","91.0356","0.0018","101.524","0.0016","3125.45","0.12","100","","100","","","","","","","","","9","P -1","-P 1","2","","bis(triphenylphosphine)-tris(phenylthiolate)-bispalladium-ruthenium-hexafluoroantimoniate-dichloromethane","","- C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb -","- C64.5 H59.5 Cl1.5 F6 P2 Pd2 Ru S3 Sb -","- C129 H119 Cl3 F12 P4 Pd4 Ru2 S6 Sb2 -","2","1","","Kulichenko, Maksim; Fedik, Nikita; Monfredini, Anna; Muñoz-Castro, Alvaro; Balestri, Davide; Boldyrev, Alexander I.; Maestri, Giovanni","""Bottled"" spiro-doubly aromatic trinuclear [Pd<sub>2</sub>Ru]<sup>+</sup> complexes.","Chemical science","2020","12","1","477","486","10.1039/d0sc04469e","","x-ray","0.7","synchrotron","","0.0541","0.054","","","0.1658","0.1659","","","","","","1.011","","","","has coordinates,has disorder","267049","2021-07-05","16:44:18",""
"1560000","10.215","0.004","30.038","0.009","10.723","0.004","90","","116.107","0.012","90","","2954.5","1.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Li N2 O P3 -","- C28 H46 Li N2 O P3 -","- C112 H184 Li4 N8 O4 P12 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0759","0.068","","","0.1758","0.1835","","","","","","1.024","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560001","11.6149","0.0006","16.6838","0.0008","20.0416","0.0009","90","","90.81","0.002","90","","3883.3","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58.28 H98.56 Br2 Cl6.56 Cu2 N6 P6 Ti2 -","- C58.28 H98.56 Br2 Cl6.56 Cu2 N6 P6 Ti2 -","- C116.56 H197.12 Br4 Cl13.12 Cu4 N12 P12 Ti4 -","2","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0672","0.0428","","","0.0939","0.1094","","","","","","1.062","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560002","10.1219","0.0016","16.662","0.003","22.432","0.004","90","","99.27","0.003","90","","3733.8","1.1","115","","115","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 Cl2 N2 O P3 Ti -","- C40 H38 Cl2 N2 O P3 Ti -","- C160 H152 Cl8 N8 O4 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0419","0.0316","","","0.0721","0.0784","","","","","","1.036","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560003","12.209","0.003","12.264","0.003","15.876","0.004","97.041","0.006","99.249","0.006","98.343","0.006","2295.3","1","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N4 P3 Ti -","- C45 H44 Cl N4 P3 Ti -","- C90 H88 Cl2 N8 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.1959","0.0708","","","0.1543","0.2049","","","","","","0.92","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560004","16.455","0.0009","16.291","0.0008","22.0025","0.0012","90","","90","","90","","5898.2","0.5","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H38 Cl3 N2 P3 Zr -","- C24 H38 Cl3 N2 P3 Zr -","- C192 H304 Cl24 N16 P24 Zr8 -","8","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0307","0.022","","","0.0503","0.054","","","","","","1.05","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560005","14.2921","0.0008","13.7871","0.0007","18.9179","0.001","90","","90","","90","","3727.7","0.3","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C29 H49 Au Cl4 N3 P3 Ti -","- C29 H49 Au Cl4 N3 P3 Ti -","- C116 H196 Au4 Cl16 N12 P12 Ti4 -","4","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0293","0.0249","","","0.0497","0.0528","","","","","","1.235","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560006","11.8938","0.0012","12.0699","0.0011","27.548","0.003","82.319","0.004","80.357","0.005","70.217","0.004","3656.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C147 H126 Cl18 N8 P12 Zr4 -","- C147 H126 Cl18 N8 P12 Zr4 -","- C147 H126 Cl18 N8 P12 Zr4 -","1","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0335","0.0277","","","0.0653","0.0681","","","","","","1.037","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560007","11.7665","0.0019","13.781","0.002","20.643","0.003","82.299","0.004","86.711","0.004","80.965","0.004","3273.7","0.9","115","","115","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H70 B Cl2 N2 O2 P3 Ti -","- C77 H70 B Cl2 N2 O2 P3 Ti -","- C154 H140 B2 Cl4 N4 O4 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.1179","0.0594","","","0.14","0.1675","","","","","","1.024","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560008","31.2123","0.0012","11.3573","0.0004","16.6578","0.0007","90","","111.69","0.001","90","","5486.9","0.4","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H76 Cu2 N4 P6 -","- C48 H76 Cu2 N4 P6 -","- C192 H304 Cu8 N16 P24 -","4","0.5","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0448","0.0302","","","0.0654","0.0711","","","","","","1.021","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560009","19.7139","0.0008","17.7743","0.0009","20.2496","0.0009","90","","112.411","0.001","90","","6559.6","0.5","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H47 Cl N3 P3 Ti -","- C28 H47 Cl N3 P3 Ti -","- C224 H376 Cl8 N24 P24 Ti8 -","8","2","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0437","0.03","","","0.0675","0.0759","","","","","","1.059","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560010","11.1686","0.0013","15.39","0.002","16.608","0.002","90","","99.796","0.006","90","","2813","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cl2 N2 P3 Ti -","- C24 H38 Cl2 N2 P3 Ti -","- C96 H152 Cl8 N8 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0395","0.0295","","","0.0624","0.0685","","","","","","1.086","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560011","12.209","0.003","12.264","0.003","15.876","0.004","97.041","0.006","99.249","0.006","98.343","0.006","2295.3","1","115","","115","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 Cl N4 P3 Ti -","- C45 H44 Cl N4 P3 Ti -","- C90 H88 Cl2 N8 P6 Ti2 -","2","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","","0.71073","MoKα","","0.1959","0.0693","","","0.1415","0.1892","","","","","","0.92","","","","has coordinates","267045","2021-07-05","16:43:29",""
"1560012","12.4622","0.0007","22.1019","0.0012","15.1862","0.0005","90","","94.567","0.001","90","","4169.6","0.4","115","","115","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Cl N3 P3 Ti -","- C47 H47 Cl N3 P3 Ti -","- C188 H188 Cl4 N12 P12 Ti4 -","4","1","","Normand, Adrien T.; Sosa Carrizo, E. Daiann; Magnoux, Corentin; Lobato, Esteban; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Devillers, Charles H.; Romieu, Anthony; Le Gendre, Pierre; Fleurat-Lessard, Paul","Reappraising Schmidpeter's bis(iminophosphoranyl)phosphides: coordination to transition metals and bonding analysis.","Chemical science","2020","12","1","253","269","10.1039/d0sc04736h","","x-ray","0.71073","MoKα","","0.0651","0.0458","","","0.1056","0.1157","","","","","","1.028","","","","has coordinates,has disorder","267045","2021-07-05","16:43:29",""
"1560015","8.3649","0.0002","10.0504","0.0002","10.2831","0.0003","73.682","0.002","70.348","0.001","86.635","0.001","780.74","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","","Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank","Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement","Chemical Science","2021","12","8","2816","2822","10.1039/D0SC06385A","","","1.54178","CuKα","","0.0862","0.0709","","","0.1768","0.1895","","","","","","1.072","","","","has coordinates","263681","2021-04-05","14:18:09",""
"1560016","6.3005","0.0003","10.5228","0.0005","10.9791","0.0005","65.837","0.003","82.374","0.003","88.124","0.004","658.07","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H21 N O2 S -","- C12 H21 N O2 S -","- C24 H42 N2 O4 S2 -","2","1","","Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank","Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement","Chemical Science","2021","12","8","2816","2822","10.1039/D0SC06385A","","","1.54178","CuKα","","0.1147","0.0643","","","0.1657","0.2026","","","","","","1.035","","","","has coordinates,has disorder","263681","2021-04-05","14:18:11",""
"1560017","10.5885","0.0004","8.3629","0.0003","20.6387","0.0007","90","","99.927","0.002","90","","1800.21","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 O2 -","- C22 H26 O2 -","- C88 H104 O8 -","4","1","","Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank","Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement","Chemical Science","2021","12","8","2816","2822","10.1039/D0SC06385A","","","1.54178","CuKα","","0.0732","0.0469","","","0.1056","0.1201","","","","","","1.04","","","","has coordinates","263681","2021-04-05","14:18:16",""
"1560018","8.9009","0.0006","10.4501","0.0007","17.0815","0.0011","104.343","0.002","91.133","0.002","112.507","0.002","1410.37","0.16","110","2","110.03","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 N2 O P -","- C35 H35 N2 O P -","- C70 H70 N4 O2 P2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","1.54178","CuKα","","0.0353","0.0339","","","0.0861","0.0874","","","","","","1.051","","","","has coordinates","263702","2021-04-05","14:26:46",""
"1560019","8.2229","0.0005","12.4346","0.0006","13.1943","0.0007","108.632","0.002","96.25","0.002","93.485","0.002","1264.24","0.12","110","2","110","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N O P -","- C33 H30 N O P -","- C66 H60 N2 O2 P2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0675","0.0485","","","0.1202","0.1335","","","","","","1.03","","","","has coordinates","263702","2021-04-05","14:26:48",""
"1560020","7.4114","0.0004","15.707","0.0007","22.5898","0.0011","90","","92.536","0.002","90","","2627.1","0.2","110","2","109.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F3 O4 P S -","- C32 H22 F3 O4 P S -","- C128 H88 F12 O16 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","1.54178","CuKα","","0.0876","0.0821","","","0.2302","0.2373","","","","","","1.042","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560021","8.0035","0.0007","27.389","0.002","12.6664","0.001","90","","90","","90","","2776.6","0.4","110","2","110","","","","","","","","","7","P n a 21","P 2c -2n","33","","C33H25F3NO3PS","","- C33 H25 F3 N O3 P S -","- C33 H25 F3 N O3 P S -","- C132 H100 F12 N4 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0512","0.0448","","","0.097","0.1003","","","","","","1.096","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560022","8.9602","0.0005","11.4072","0.0006","28.9126","0.0015","90","","93.074","0.002","90","","2950.9","0.3","110","2","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 F3 N O3 P S -","- C34 H29 F3 N O3 P S -","- C136 H116 F12 N4 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0862","0.0776","","","0.178","0.188","","","","","","1.34","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560023","16.162","0.001","12.9217","0.0008","14.4246","0.0009","90","","107.362","0.002","90","","2875.2","0.3","110","2","110.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","C33H25F3NO3PS","","- C33 H25 F3 N O3 P S -","- C33 H25 F3 N O3 P S -","- C132 H100 F12 N4 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","1.54178","CuKα","","0.0478","0.0428","","","0.1114","0.117","","","","","","1.045","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560024","11.0775","0.0009","19.2817","0.0016","15.3042","0.0013","90","","104","0.003","90","","3171.8","0.5","110","2","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 F3 N2 O3 P S -","- C36 H34 F3 N2 O3 P S -","- C144 H136 F12 N8 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0731","0.048","","","0.1123","0.1277","","","","","","1.044","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560025","8.2171","0.0006","20.0635","0.0013","9.9302","0.0006","90","","111.472","0.002","90","","1523.51","0.18","110","2","110","","","","","","","","","8","P 1 21 1","P 2yb","4","","C33H29AuBClF4NP","","- C33 H29 Au B Cl F4 N P -","- C33 H29 Au B Cl F4 N P -","- C66 H58 Au2 B2 Cl2 F8 N2 P2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0345","0.031","","","0.0558","0.0571","","","","","","1.098","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560026","16.5012","0.0019","15.8634","0.0017","13.7254","0.0016","90","","92.673","0.004","90","","3588.9","0.7","110.04","0.02","110.04","0.02","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 Au B2 F8 N P S -","- C36 H33 Au B2 F8 N P S -","- C144 H132 Au4 B8 F32 N4 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","0.71073","MoKα","","0.0619","0.045","","","0.1132","0.1286","","","","","","1.056","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560027","8.2911","0.0007","15.0763","0.0013","14.2431","0.0012","90","","97.96","0.004","90","","1763.2","0.3","110","2","110","","","","","","","","","8","P 1 21 1","P 2yb","4","","C37H37AuB2F8NPS","","- C37 H37 Au B2 F8 N P S -","- C37 H37 Au B2 F8 N P S -","- C74 H74 Au2 B4 F16 N2 P2 S2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","1.54178","CuKα","","0.0408","0.0403","","","0.1051","0.1054","","","","","","1.115","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560028","10.2268","0.0008","8.5127","0.0008","45.347","0.004","90","","94.336","0.002","90","","3936.5","0.6","125","2","125","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","C39H42AuB2F8N2PS","","- C39 H42 Au B2 F8 N2 P S -","- C39 H42 Au B2 F8 N2 P S -","- C156 H168 Au4 B8 F32 N8 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","0.71073","MoKα","","0.1908","0.1456","","","0.2693","0.286","","","","","","1.265","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560029","20.6017","0.0008","8.5026","0.0003","20.569","0.0007","90","","118.012","0.001","90","","3180.9","0.2","110","2","110.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Au B Cl F4 N2 P -","- C35 H34 Au B Cl F4 N2 P -","- C140 H136 Au4 B4 Cl4 F16 N8 P4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","1.54178","CuKα","","0.0287","0.0248","","","0.0578","0.0616","","","","","","1.122","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560030","8.0106","0.0007","12.2124","0.0012","19.0728","0.0018","99.359","0.003","93.578","0.003","101.894","0.003","1792.6","0.3","110","2","110","","","","","","","","","9","P -1","-P 1","2","","","","- C36 H32 Au B2 Cl2 F8 O P S -","- C36 H32 Au B2 Cl2 F8 O P S -","- C72 H64 Au2 B4 Cl4 F16 O2 P2 S2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0489","0.0341","","","0.0623","0.0671","","","","","","1.04","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560031","10.5444","0.0003","18.4631","0.0004","31.5083","0.0007","90","","90","","90","","6134.1","0.3","99.9","0.6","99.9","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1","1","","- C52 H96 O Si8 U2 -","- C52 H96 O Si8 U2 -","- C208 H384 O4 Si32 U8 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0317","0.0287","","","0.0619","0.0637","","","","","","1.029","","","","has coordinates","263685","2021-04-05","14:19:37",""
"1560032","17.5935","0.0003","9.977","0.0002","18.6747","0.0004","90","","110.001","0.002","90","","3080.27","0.11","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5","5","","- C26 H50 O Si4 U -","- C26 H50 O Si4 U -","- C104 H200 O4 Si16 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0366","0.0358","","","0.0954","0.0967","","","","","","1.076","","","","has coordinates","263685","2021-04-05","14:19:37",""
"1560033","20.3708","0.0002","20.3708","0.0002","16.6734","0.0003","90","","90","","90","","6918.95","0.16","99.9","0.5","99.9","0.5","","","","","","","","5","P -4","P -4","81","2 and 3","2 and 3","","- C58.34 H113.47 O Si9 U2 -","- C58.34 H113.46 O Si9 U2 -","- C233.36 H453.84 O4 Si36 U8 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0681","0.0658","","","0.1594","0.1616","","","","","","1.076","","","","has coordinates,has disorder","263685","2021-04-05","14:19:37",""
"1560034","26.7057","0.0003","15.99077","0.00015","26.5612","0.0004","90","","117.35","0.0017","90","","10074.9","0.3","99.9","0.9","99.9","0.9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H168 Si12 U2 -","- C84 H168 Si12 U2 -","- C336 H672 Si48 U8 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0581","0.05","","","0.1241","0.1306","","","","","","1.061","","","","has coordinates,has disorder","263685","2021-04-05","14:19:37",""
"1560035","31.8409","0.0002","31.8409","0.0002","11.0234","0.0001","90","","90","","90","","11176","0.14","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","3","C24H44Si4U","","- C24 H44 Si4 U -","- C24 H44 Si4 U -","- C384 H704 Si64 U16 -","16","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0313","0.0266","","","0.0591","0.0617","","","","","","1.026","","","","has coordinates","263685","2021-04-05","14:19:37",""
"1560036","11.40224","0.00011","16.98119","0.00018","17.03377","0.00015","90","","90","","90","","3298.14","0.06","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2","C28H52OSi4U","","- C28 H52 O Si4 U -","- C28 H52 O Si4 U -","- C112 H208 O4 Si16 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0281","0.0273","","","0.0641","0.0647","","","","","","1.023","","","","has coordinates,has disorder","263685","2021-04-05","14:19:37",""
"1560037","7.5552","0.0005","9.5169","0.0006","11.8279","0.0006","76.651","0.005","84.11","0.005","72.543","0.006","788.85","0.09","150","0.1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 N4 P2 -","- C34 H48 N4 P2 -","- C34 H48 N4 P2 -","1","0.5","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","","1.54184","CuKα","","0.0396","0.0377","","","0.102","0.1039","","","","","","1.05","","","","has coordinates","263682","2021-04-05","14:18:28",""
"1560038","25.072","0.0015","9.1667","0.0004","19.7603","0.0011","90","","99.889","0.006","90","","4474","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H58 N4 Si2 -","- C48 H58 N4 Si2 -","- C192 H232 N16 Si8 -","4","0.5","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","","0.71073","MoKα","","0.1185","0.0632","","","0.1412","0.1746","","","","","","1.023","","","","has coordinates,has disorder","263682","2021-04-05","14:18:36",""
"1560039","10.1955","0.0003","10.3773","0.0003","16.0898","0.0006","76.412","0.003","80.446","0.003","88.451","0.003","1631.6","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 N4 Ni P2 -","- C34 H48 N4 Ni P2 -","- C68 H96 N8 Ni2 P4 -","2","1","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","","1.54184","CuKα","","0.0348","0.0326","","","0.0856","0.087","","","","","","1.05","","","","has coordinates","263682","2021-04-05","14:18:39",""
"1560040","9.1662","0.0005","26.4418","0.0013","9.8935","0.0006","90","","90.567","0.005","90","","2397.8","0.2","150","2","150","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H66 N4 Ni Si2 -","- C55 H66 N4 Ni Si2 -","- C110 H132 N8 Ni2 Si4 -","2","0.5","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","x-ray","1.54184","CuKα","","0.1221","0.0982","","","0.2212","0.2417","","","","","","1.194","","","","has coordinates,has disorder","263682","2021-04-05","14:18:47",""
"1560078","17.214","0.002","14.4042","0.0016","5.5668","0.0007","90","","90","","90","","1380.3","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-benzoylcarbazole","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","1.54178","CuK\α","","0.085","0.051","","0.074","","0.059","","","0.972","","","0.968","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560079","11.8585","0.0009","10.3783","0.0007","22.8559","0.0016","90","","90","","90","","2812.9","0.3","296","2","296.23","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 F N O -","- C19 H12 F N O -","- C152 H96 F8 N8 O8 -","8","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","0.71073","MoKα","","0.076","0.0459","","","0.1022","0.1179","","","","","","1.041","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560080","14.608","0.003","5.4287","0.0011","18.371","0.004","90","","107.996","0.005","90","","1385.6","0.5","293","2","293.57","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F N O -","- C19 H12 F N O -","- C76 H48 F4 N4 O4 -","4","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","0.71073","MoKα","","0.1343","0.0551","","","0.1186","0.1624","","","","","","1.035","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560081","8.9406","0.0017","22.597","0.004","7.0302","0.0012","90","","91.313","0.005","90","","1419.9","0.4","298","2","297.79","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F N O -","- C19 H12 F N O -","- C76 H48 F4 N4 O4 -","4","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","0.71073","MoKα","","0.0879","0.0594","","","0.139","0.1499","","","","","","1.144","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560082","14.7734","0.0002","17.4936","0.0003","18.6427","0.0003","90","","90.2338","0.0013","90","","4817.98","0.13","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H63 N5 O4 -","- C56 H63 N5 O4 -","- C224 H252 N20 O16 -","4","1","","Villarón, David; Siegler, Maxime A.; Wezenberg, Sander J.","A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release","Chemical Science","2021","12","9","3188","3193","10.1039/D0SC06686A","","","1.54178","CuKα","","0.0483","0.0408","","","0.1029","0.1089","","","","","","1.038","","","","has coordinates,has disorder","263698","2021-04-05","14:23:02",""
"1560083","16.1432","0.0003","18.3888","0.0004","24.571","0.0006","94.772","0.002","109.004","0.002","106.661","0.002","6480.2","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H98 Mn4 Mo9 N3 O43 P5 -","- C108 H98 Mn4 Mo9 N3 O43 P5 -","- C216 H196 Mn8 Mo18 N6 O86 P10 -","2","1","","Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke","A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters","Chemical Science","2021","12","4","1240","1244","10.1039/D0SC06133F","","","0.71073","MoKα","","0.1362","0.0911","","","0.2306","0.2609","","","","","","1.081","","","","has coordinates","262533","2021-03-05","01:33:02",""
"1560084","17.3006","0.0004","19.39","0.0004","20.7716","0.0004","95.31","0.002","112.975","0.002","99.33","0.002","6236.6","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C174 H174 Cl20 Mn6 Mo18 O74 P8 -","- C174 H174 Cl20 Mn6 Mo18 O74 P8 -","- C174 H174 Cl20 Mn6 Mo18 O74 P8 -","1","0.5","","Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke","A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters","Chemical Science","2021","12","4","1240","1244","10.1039/D0SC06133F","","","0.71073","MoKα","","0.0971","0.0655","","","0.1691","0.1928","","","","","","1.068","","","","has coordinates","262533","2021-03-05","01:33:02",""
"1560085","8.01647","0.00019","16.3246","0.0004","15.049","0.0004","90","","92.985","0.002","90","","1966.73","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Ir -","- C22 H33 Ir -","- C88 H132 Ir4 -","4","1","","Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G.","Selective cleavage of unactivated arene ring C‒C bonds by iridium: key roles of benzylic C‒H activation and metal‒metal cooperativity","Chemical Science","2021","12","10","3568","3579","10.1039/D0SC05900E","","x-ray","1.54184","CuKα","","0.0379","0.0342","","","0.0893","0.0911","","","","","","1.084","","","","has coordinates","263676","2021-04-05","14:17:05",""
"1560086","22.2884","0.0004","22.2818","0.0004","26.1267","0.0005","90","","97.5244","0.0017","90","","12863.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H23 Ir -","- C20 H23 Ir -","- C640 H736 Ir32 -","32","8","","Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G.","Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity","Chemical Science","2021","12","10","3568","3579","10.1039/D0SC05900E","","x-ray","0.71073","MoKα","","0.0433","0.0264","","","0.0473","0.053","","","","","","0.998","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560087","9.5822","0.0002","13.6635","0.0003","15.4413","0.0003","98.426","0.002","105.508","0.002","99.504","0.002","1882.26","0.07","150","2","150","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C83 H116 N4 O4 Zn2 -","- C83 H116 N4 O4 Zn2 -","- C83 H116 N4 O4 Zn2 -","1","0.5","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","0.71073","MoKα","","0.0539","0.0363","","","0.0848","0.0939","","","","","","1.052","","","","has coordinates,has disorder","262728","2021-03-05","02:27:50",""
"1560088","9.9229","0.0004","14.2743","0.0005","20.5348","0.0005","90","","95.319","0.003","90","","2896.08","0.17","150","2","150","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl2 Mg N2 O2 -","- C30 H36 Cl2 Mg N2 O2 -","- C120 H144 Cl8 Mg4 N8 O8 -","4","1","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","0.71073","MoKα","","0.0709","0.0524","","","0.1352","0.1483","","","","","","1.043","","","","has coordinates","262728","2021-03-05","02:27:50",""
"1560089","9.7766","0.0003","31.3712","0.0009","25.4191","0.0005","90","","96.789","0.002","90","","7741.5","0.4","150","2","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H118 Mg2 N4 O4 -","- C84 H118 Mg2 N4 O4 -","- C336 H472 Mg8 N16 O16 -","4","0.5","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","1.54184","CuKα","","0.1026","0.0725","","","0.1852","0.2051","","","","","","1.031","","","","has coordinates,has disorder","262728","2021-03-05","02:27:50",""
"1560090","10.0556","0.0003","14.2825","0.0003","20.688","0.0004","90","","95.646","0.002","90","","2956.78","0.12","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br2 N2 O2 Zn -","- C30 H36 Br2 N2 O2 Zn -","- C120 H144 Br8 N8 O8 Zn4 -","4","1","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","1.54184","CuKα","","0.0426","0.0408","","","0.1003","0.1019","","","","","","1.046","","","","has coordinates,has disorder","262728","2021-03-05","02:27:50",""
"1560091","10.0761","0.0005","14.3226","0.0007","20.665","0.004","90","","96.011","0.01","90","","2965.9","0.6","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br2 Mg N2 O2 -","- C30 H36 Br2 Mg N2 O2 -","- C120 H144 Br8 Mg4 N8 O8 -","4","1","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","1.54184","CuKα","","0.055","0.0495","","","0.1346","0.1409","","","","","","1.038","","","","has coordinates,has disorder","262728","2021-03-05","02:27:50",""
"1560092","10.872","0.0012","11.0298","0.001","13.0224","0.0012","112.876","0.009","100.644","0.008","93.112","0.008","1400.2","0.3","150","2","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 Cl2 Mg2 N2 O2 -","- C27 H36 Cl2 Mg2 N2 O2 -","- C54 H72 Cl4 Mg4 N4 O4 -","2","1","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","1.54184","CuKα","","0.1275","0.0768","","","0.1801","0.2117","","","","","","1.021","","","","has coordinates","262728","2021-03-05","02:27:50",""
"1560093","9.8683","0.0008","14.2238","0.0012","20.5519","0.0009","90","","94.567","0.005","90","","2875.6","0.4","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl2 N2 O2 Zn -","- C30 H36 Cl2 N2 O2 Zn -","- C120 H144 Cl8 N8 O8 Zn4 -","4","1","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","1.54184","CuKα","","0.0721","0.0563","","","0.1353","0.1474","","","","","","1.032","","","","has coordinates","262728","2021-03-05","02:27:50",""
"1560094","8.0941","0.0008","17.5936","0.0015","32.602","0.003","90","","90","","90","","4642.7","0.7","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TB-343","","","- C51 H48 O6 S -","- C51 H48 O6 S -","- C204 H192 O24 S4 -","4","1","","Bartelmann, Thomas; Gnannt, Frederik; Zitzmann, Max; Mayer, Peter; Dube, Henry","Sulfoxide hemithioindigo tweezers ‒ visible light addressable capture and release","Chemical Science","2021","12","10","3651","3659","10.1039/D0SC04981F","","","0.71073","MoKα","","0.0792","0.0526","","","0.1203","0.1335","","","","","","1.058","","","","has coordinates","263679","2021-04-05","14:17:42",""
"1560095","16.8853","0.0007","15.2569","0.0007","15.7122","0.0008","90","","91.701","0.001","90","","4046","0.3","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53 B N6 O3 P2 Pd W -","- C36 H53 B N6 O3 P2 Pd W -","- C144 H212 B4 N24 O12 P8 Pd4 W4 -","4","1","","Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S.","Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs”","Chemical Science","2021","12","10","3682","3692","10.1039/D0SC06114J","","","0.71073","MoKα","","0.0609","0.0386","","","0.0724","0.0813","","","","","","0.984","","","","has coordinates","263674","2021-04-05","14:16:41",""
"1560096","8.2012","0.0002","37.372","0.0008","10.9355","0.0002","90","","103.388","0.001","90","","3260.59","0.12","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 O3 P2 Pd W -","- C32 H48 O3 P2 Pd W -","- C128 H192 O12 P8 Pd4 W4 -","4","1","","Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S.","Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs”","Chemical Science","2021","12","10","3682","3692","10.1039/D0SC06114J","","","1.54178","CuKα","","0.0626","0.0427","","","0.091","0.1","","","","","","1.03","","","","has coordinates","263674","2021-04-05","14:16:42",""
"1560097","14.1856","0.0008","17.0247","0.0008","9.5406","0.0005","90","","94.364","0.003","90","","2297.4","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 B F2 N O5 -","- C21 H30 B F2 N O5 -","- C84 H120 B4 F8 N4 O20 -","4","1","","Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi","Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes","Chemical Science","2021","12","10","3599","3607","10.1039/D0SC06186G","","","1.34139","GaKα","","0.1197","0.0672","","","0.1819","0.2237","","","","","","1.006","","","","has coordinates","263664","2021-04-05","14:11:48",""
"1560098","9.2163","0.0004","11.7129","0.0005","13.3216","0.0005","90","","108.006","0.001","90","","1367.63","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 N2 O6 Rh2 -","- C22 H34 Cl2 N2 O6 Rh2 -","- C44 H68 Cl4 N4 O12 Rh4 -","2","0.5","","Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi","Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes","Chemical Science","2021","12","10","3599","3607","10.1039/D0SC06186G","","","0.71073","MoKα","","0.036","0.0292","","","0.0764","0.0804","","","","","","1.118","","","","has coordinates","263664","2021-04-05","14:11:49",""
"1560099","9.9241","0.0003","11.0168","0.0004","24.6334","0.0009","90","","90","","90","","2693.21","0.16","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","2","","Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi","Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes","Chemical Science","2021","12","10","3599","3607","10.1039/D0SC06186G","","","1.34139","GaKα","","0.1014","0.0607","","","0.1636","0.2009","","","","","","1.018","","","","has coordinates,has disorder","263664","2021-04-05","14:11:49",""
"1560100","9.3347","0.0013","10.0778","0.0014","16.957","0.003","90","","101.582","0.003","90","","1562.7","0.4","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","","Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi","o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions","Chemical Science","2021","12","8","2778","2783","10.1039/D0SC06240E","","","0.71075","MoKα","","0.0487","0.0354","","","0.0765","0.0836","","","","","","1.074","","","","has coordinates","263690","2021-04-05","14:20:23",""
"1560101","10.294","0.003","16.632","0.004","11.319","0.003","90","","112.274","0.002","90","","1793.3","0.8","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O -","- C26 H20 O -","- C104 H80 O4 -","4","1","","Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi","o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions","Chemical Science","2021","12","8","2778","2783","10.1039/D0SC06240E","","","0.71075","MoKα","","0.0348","0.0332","","","0.0833","0.0849","","","","","","1.04","","","","has coordinates","263690","2021-04-05","14:20:24",""
"1560102","7.4982","0.0001","19.0172","0.0004","14.6488","0.0003","90","","99.675","0.007","90","","2059.13","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 B F4 O -","- C26 H21 B F4 O -","- C104 H84 B4 F16 O4 -","4","1","","Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi","o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions","Chemical Science","2021","12","8","2778","2783","10.1039/D0SC06240E","","","1.54187","CuKα","","0.0589","0.0408","","","0.1024","0.11","","","","","","1.054","","","","has coordinates","263690","2021-04-05","14:20:24",""
"1560103","8.441","0.0001","8.6899","0.0001","11.8177","0.0002","97.574","0.001","92.137","0.001","91.817","0.001","858.1","0.02","20","2","20","2","","","","","","","","6","P -1","-P 1","2","","Ammonium nickel hexathiocyanatobismuthate","","- C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 -","- C4 H2.66667 Bi0.666667 N4.66667 Ni0.666667 S4 -","- C12 H8 Bi2 N14 Ni2 S12 -","3","1.5","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.94558","neutrons","","0.046","0.0448","","","0.1111","0.1117","","","","","","1.151","","","","has coordinates","263673","2021-04-05","14:16:33",""
"1560104","8.4472","0.0012","8.7119","0.001","11.9671","0.0009","97.041","0.006","90.364","0.007","91.558","0.009","873.67","0.17","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","ammonium nickel hexathiocyanatobismuthate","","- C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 -","- C4 H2.66667 Bi0.666667 N4.66667 Ni0.666667 S4 -","- C12 H8 Bi2 N14 Ni2 S12 -","3","1.5","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.9455","neutrons","","0.114","0.0963","","","0.2845","0.3111","","","","","","1.266","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560105","6.9352","0.0006","7.0096","0.0005","12.3675","0.0007","90.894","0.005","104.311","0.007","101.787","0.007","568.89","0.08","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","guanidinium thiocyanate","","- C2 H6 N4 S -","- C2 H6 N4 S -","- C8 H24 N16 S4 -","4","2","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","x-ray","1.54184","CuKα","","0.0984","0.0898","","","0.2571","0.2627","","","","","","1.126","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560106","12.216","0.0001","36.8375","0.0004","24.5263","0.0003","90","","90.224","0.001","90","","11036.9","0.2","120","0.2","120","0.2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Methylammonium nickel hexathiocyanatobismuthate","","- C7 Bi N7 Ni S6 -","- C7 Bi N7 Ni S6 -","- C168 Bi24 N168 Ni24 S144 -","24","6","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","x-ray","1.54184","CuKα","","0.0517","0.0422","","","0.0916","0.0962","","","","","","1.114","","","","has coordinates,has disorder","263673","2021-04-05","14:16:34",""
"1560107","8.4699","0.0002","8.6913","0.0002","11.9058","0.0003","97.187","0.002","91.149","0.002","91.61","0.002","868.96","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","ammonium nickel hexathiocyanatobismuthate","","- C6 H4 Bi N7 Ni S6 -","- C6 H4 Bi N7 Ni S6 -","- C12 H8 Bi2 N14 Ni2 S12 -","2","1","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","x-ray","1.54184","CuKα","","0.0233","0.0228","","","0.0644","0.0652","","","","","","1.096","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560108","8.5073","0.0002","8.5686","0.0002","11.9651","0.0003","97.573","0.001","89.781","0.001","90.997","0.001","864.46","0.04","180","","180","","","","","","","","","6","P -1","-P 1","2","","potassium nickel hexathiocyanatobismuthate","","- C6 Bi K N6 Ni S6 -","- C6 Bi K N6 Ni S6 -","- C12 Bi2 K2 N12 Ni2 S12 -","2","1","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.71073","MoKα","","0.0835","0.0568","","","0.1322","0.1452","","","","","","1.075","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560109","12.12528","0.00002","12.12528","0.00002","12.12528","0.00002","90","","90","","90","","1782.69","0.005","100","2","100","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","triguanidinium hexanickel(II) pentahexathiocyanatobismuthate","","- C0.92 Bi0.15 N1.25 Ni0.17 S0.86 -","- C0.924333 Bi0.15 N1.25 Ni0.166667 S0.86 -","- C22.184 Bi3.6 N30 Ni4 S20.64 -","24","1","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.6889","","","0.0419","0.0263","","","0.084","0.0866","","","","","","1.043","","","","has coordinates,has disorder","263673","2021-04-05","14:16:34",""
"1560111","11.4716","0.0004","12.6646","0.0005","12.7092","0.0005","85.944","0.001","86.346","0.001","68.446","0.001","1711.6","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H86 Li4 O2 P2 Si4 -","- C74 H86 Li4 O2 P2 Si4 -","- C74 H86 Li4 O2 P2 Si4 -","1","0.5","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.08","0.0579","","","0.1392","0.1479","","","","","","1.074","","","","has coordinates","263678","2021-04-05","14:17:35",""
"1560112","10.6448","0.0013","12.9069","0.0016","26.22","0.003","90","","92.664","0.004","90","","3598.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 O5 P2 Si2 W -","- C37 H32 O5 P2 Si2 W -","- C148 H128 O20 P8 Si8 W4 -","4","1","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.0322","0.0253","","","0.0554","0.0575","","","","","","1.049","","","","has coordinates","263678","2021-04-05","14:17:35",""
"1560113","12.2157","0.0004","10.4934","0.0003","22.6538","0.0007","90","","99.262","0.002","90","","2866","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 P2 Si2 -","- C32 H32 P2.0001 Si2 -","- C128 H128 P8.0004 Si8 -","4","1","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.0571","0.0499","","","0.1167","0.1205","","","","","","1.108","","","","has coordinates,has disorder","263678","2021-04-05","14:17:35",""
"1560114","10.1186","0.0008","18.8541","0.0015","27.477","0.002","90","","91.367","0.003","90","","5240.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H60 Cl2 O4 P2 Si4 -","- C53 H60 Cl2 O4 P2 Si4 -","- C212 H240 Cl8 O16 P8 Si16 -","4","1","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.1072","0.0545","","","0.1149","0.1346","","","","","","1.023","","","","has coordinates,has disorder","263678","2021-04-05","14:17:35",""
"1560116","19.796","0.005","8.413","0.002","13.102","0.003","90","","90","","90","","2182.1","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H32 Cl5 N4 Ti2 -","- C12 H32 Cl5 N4 Ti2 -","- C48 H128 Cl20 N16 Ti8 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0559","0.0507","","","0.1171","0.1223","","","","","","1.096","","","","has coordinates","263671","2021-04-05","14:16:06",""
"1560117","13.348","0.003","13.855","0.003","17.166","0.004","90","","112.468","0.004","90","","2933.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Cl10 N4 Ti2 -","- C14 H36 Cl10 N4 Ti2 -","- C56 H144 Cl40 N16 Ti8 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0622","0.0562","","","0.1053","0.1084","","","","","","1.158","","","","has coordinates,has disorder","263671","2021-04-05","14:16:07",""
"1560118","10.972","0.004","12.308","0.004","12.075","0.004","90","","101.587","0.006","90","","1597.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cl3 N2 O Ti -","- C10 H24 Cl3 N2 O Ti -","- C40 H96 Cl12 N8 O4 Ti4 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0693","0.055","","","0.1347","0.1447","","","","","","1.083","","","","has coordinates,has disorder","263671","2021-04-05","14:16:07",""
"1560119","23.348","0.011","8.843","0.004","12.648","0.006","90","","121.198","0.006","90","","2233.7","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H34 Cl4 N4 Ti2 -","- C13 H34 Cl4 N4 Ti2 -","- C52 H136 Cl16 N16 Ti8 -","4","0.5","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0851","0.0768","","","0.1988","0.2057","","","","","","1.055","","","","has coordinates","263671","2021-04-05","14:16:07",""
"1560120","23.149","0.011","7.256","0.003","15.032","0.007","90","","111.169","0.006","90","","2354.5","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 Cl I N2 Zn -","- C6 H16 Cl I N2 Zn -","- C48 H128 Cl8 I8 N16 Zn8 -","8","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0263","0.0227","","","0.0602","0.0613","","","","","","1.039","","","","has coordinates","263671","2021-04-05","14:16:07",""
"1560121","11.494","0.002","13.09","0.002","14.921","0.003","90","","90","","90","","2245","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H34 I2 N4 Zn2 -","- C13 H34 I2 N4 Zn2 -","- C52 H136 I8 N16 Zn8 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0415","0.0315","","","0.0581","0.063","","","","","","1.008","","","","has coordinates","263671","2021-04-05","14:16:07",""
"1560122","18.5604","0.0011","7.5949","0.0004","8.0212","0.0005","90","","96.383","0.005","90","","1123.69","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","vinpocetine oxalate","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.037","3.078","","","","","","","has coordinates","263692","2021-04-05","14:20:47",""
"1560123","17.9007","0.0002","6.3022","0.0001","20.9554","0.0002","90","","105.356","0.001","90","","2279.66","0.05","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","","x-ray","1.54184","CuKα","","0.0277","0.0271","","","0.0738","0.0745","","","","","","1.036","","","","has coordinates,has disorder","263692","2021-04-05","14:20:48",""
"1560124","17.8855","0.0002","6.3218","0.0001","21.0313","0.0003","90","","105.346","0.001","90","","2293.19","0.06","110","0.1","110","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24.63 H29.26 N2 O6.32 -","- C24.63 H29.259 N2 O6.315 -","- C98.52 H117.036 N8 O25.26 -","4","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","","x-ray","1.54184","CuKα","","0.0342","0.0335","","","0.0874","0.0882","","","","","","1.04","","","","has coordinates,has disorder","263692","2021-04-05","14:20:48",""
"1560125","8.9924","0.0001","19.5139","0.0002","23.2425","0.0002","90","","90","","90","","4078.52","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C192 H160 O32 -","8","2","","Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng","Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation","Chemical Science","2021","12","10","3726","3732","10.1039/D0SC06661C","","","1.54184","CuKα","","0.0754","0.067","","","0.1995","0.2077","","","","","","1.578","","","","has coordinates","263668","2021-04-05","14:13:47",""
"1560126","8.6935","0.0002","11.1218","0.0002","12.2142","0.0002","87.376","0.001","70.785","0.002","81.619","0.001","1103.26","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C50 H36 O4 -","2","2","","Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng","Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation","Chemical Science","2021","12","10","3726","3732","10.1039/D0SC06661C","","","1.54184","CuKα","","0.0607","0.0603","","","0.1552","0.1562","","","","","","1.079","","","","has coordinates","263668","2021-04-05","14:13:48",""
"1560133","10.077","0.004","5.678","0.003","13.478","0.006","90","","96.922","0.017","90","","765.6","0.6","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 Br N -","- C19 H16 Br N -","- C38 H32 Br2 N2 -","2","1","","Jiang, Feng; Fu, Chunling; Ma, Shengming","Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization.","Chemical science","2020","12","2","696","701","10.1039/d0sc05619g","","","0.71073","MoKα","","0.0358","0.0299","","","0.0724","0.0749","","","","","","1.042","","","","has coordinates","267079","2021-07-05","16:52:27",""
"1560134","10.4093","0.0008","6.0139","0.0004","12.2223","0.001","90","","100.849","0.003","90","","751.45","0.1","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C34 H40 Cl2 N2 O2 -","2","1","","Jiang, Feng; Fu, Chunling; Ma, Shengming","Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization.","Chemical science","2020","12","2","696","701","10.1039/d0sc05619g","","","0.71073","MoKα","","0.0272","0.0261","","","0.0635","0.0644","","","","","","1.053","","","","has coordinates","267079","2021-07-05","16:52:27",""
"1560135","22.99","0.005","45.82","0.009","40.8","0.008","90","","90.92","0.03","90","","42973","15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrasucc","","- C167 H154 Cl3 F4 N34 O30 -","- C167 H153.5 Cl3 F4 N34 O30 -","- C1336 H1228 Cl24 F32 N272 O240 -","8","2","","Mateus, Pedro; Jacquet, Antoine; Méndez-Ardoy, Alejandro; Boulloy, Alice; Kauffmann, Brice; Pecastaings, Gilles; Buffeteau, Thierry; Ferrand, Yann; Bassani, Dario M.; Huc, Ivan","Sensing a binding event through charge transport variations using an aromatic oligoamide capsule","Chemical Science","2021","12","10","3743","3750","10.1039/D0SC06060G","","","0.7227","synchrotron","","0.1869","0.1398","","","0.3874","0.4165","","","","","","1.524","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1560136","11.2876","0.0006","21.068","0.0011","9.751","0.0005","90","","106.139","0.003","90","","2227.5","0.2","223","2","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O5 -","- C25 H23 N3 O5 -","- C100 H92 N12 O20 -","4","1","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","","1.54178","CuKα","","0.0813","0.0508","","","0.099","0.1146","","","","","","1.026","","","","has coordinates","267078","2021-07-05","16:52:21",""
"1560137","25.8801","0.0005","6.9453","0.0001","23.8077","0.0004","90","","116.121","0.002","90","","3842.25","0.13","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br Cl3 N2 O4 -","- C17 H14 Br Cl3 N2 O4 -","- C136 H112 Br8 Cl24 N16 O32 -","8","2","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","x-ray","1.54184","CuKα","","0.0755","0.074","","","0.2007","0.2013","","","","","","1.11","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560138","17.4514","0.0004","4.6477","0.0001","35.608","0.0008","90","","102.334","0.002","90","","2821.46","0.11","93","","93","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C128 H112 N16 O32 -","8","1","","Park, Hyunchang; Lee, Dongwhan","Biomimetic hydrogen-bonding cascade for chemical activation: telling a nucleophile from a base.","Chemical science","2020","12","2","590","598","10.1039/d0sc05067a","","x-ray","1.54184","CuKα","","0.0922","0.083","","","0.2263","0.2396","","","","","","1.078","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1560139","8.2116","0.0004","14.8475","0.0007","20.2921","0.0009","90","","96.28","0.004","90","","2459.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 N O3 -","- C27 H43 N O3 -","- C108 H172 N4 O12 -","4","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.1077","0.0932","","","0.2507","0.2764","","","","","","1.048","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560140","32.4579","0.0006","32.4579","0.0006","32.4579","0.0006","90","","90","","90","","34194.9","1.1","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C116 H190.67 K4 N4 O12 -","- C115.999 H190.665 K4 N4 O12 -","- C1391.99 H2287.98 K48 N48 O144 -","12","0.25","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.0731","0.0603","","","0.1538","0.1655","","","","","","1.06","","","","has coordinates,has disorder","263666","2021-04-05","14:13:08",""
"1560141","16.8366","0.0018","13.6239","0.0015","24.398","0.003","90","","91.454","0.002","90","","5594.6","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H94 Li2 N2 O7 -","- C58 H94 Li2 N2 O7 -","- C232 H376 Li8 N8 O28 -","4","0.5","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","0.71073","MoKα","","0.054","0.0422","","","0.1045","0.1131","","","","","","1.032","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560142","16.206","0.0005","29.7416","0.0009","30.0188","0.0008","90","","102.473","0.002","90","","14127.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H224 N6 Na12 O12 -","- C144 H224 N6 Na12 O12 -","- C576 H896 N24 Na48 O48 -","4","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.1231","0.0704","","","0.1646","0.1959","","","","","","1.021","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560143","32.0084","0.0005","32.0084","0.0005","32.0084","0.0005","90","","90","","90","","32793.8","0.9","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C108 H172 N4 Na4 O12 -","- C108 H172 N4 Na4 O12 -","- C1296 H2064 N48 Na48 O144 -","12","0.25","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.0367","0.0326","","","0.0727","0.0739","","","","","","0.973","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560144","25.5103","0.0018","27.8549","0.0017","16.3237","0.0011","90","","90.336","0.005","90","","11599.2","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Gilliard_LAF48","","","- C115 H175 K10 N5 O10 -","- C115 H175 K10 N5 O10 -","- C460 H700 K40 N20 O40 -","4","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.1227","0.0981","","","0.2611","0.2963","","","","","","1.075","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560145","14.2409","0.0017","14.1749","0.0017","20.804","0.002","90","","104.449","0.004","90","","4066.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H121 Li6 N3 O8 -","- C77 H121 Li6 N3 O8 -","- C154 H242 Li12 N6 O16 -","2","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","0.71073","MoKα","","0.1305","0.0713","","","0.1594","0.1863","","","","","","1.019","","","","has coordinates,has disorder","263666","2021-04-05","14:13:08",""
"1560146","15.9758","0.0015","16.9105","0.0015","29.646","0.003","84.635","0.006","79.342","0.006","87.435","0.006","7833.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H210 Li12 N6 O12 -","- C138 H210 Li12 N6 O12 -","- C276 H420 Li24 N12 O24 -","2","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.0792","0.057","","","0.1465","0.1613","","","","","","1.055","","","","has coordinates,has disorder","263666","2021-04-05","14:13:08",""
"1560147","8.5666","0.0007","14.3257","0.0007","9.2306","0.0008","90","","112.196","0.01","90","","1048.86","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tetraethyl naphthalene-1,4,5,8-tetracarboxylate","","- C22 H24 O8 -","- C22 H24 O8 -","- C44 H48 O16 -","2","0.5","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.1009","0.0779","","","0.2365","0.2609","","","","","","1.061","","","","has coordinates","267080","2021-07-05","16:52:54",""
"1560148","9.5351","0.0005","12.0414","0.0006","12.8133","0.0008","72.585","0.005","69.31","0.005","89.363","0.004","1305.8","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","tetraethyl 2,3,6,7-tetrabromonaphthalene-1,4,5,8-tetracarboxylate","","- C22 H20 Br4 O8 -","- C22 H20 Br4 O8 -","- C44 H40 Br8 O16 -","2","1","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.0773","0.0426","","","0.0802","0.0937","","","","","","1.02","","","","has coordinates","267080","2021-07-05","16:52:57",""
"1560149","9.6364","0.0005","9.8092","0.0005","11.8602","0.0005","90","","90.442","0.004","90","","1121.06","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tetraethyl 2-bromonaphthalene-1,4,5,8-tetracarboxylate","","- C22 H23 Br O8 -","- C22 H23 Br O8 -","- C44 H46 Br2 O16 -","2","1","","Zhou, Jiawang; Stojanović, Ljiljana; Berezin, Andrey A.; Battisti, Tommaso; Gill, Abigail; Kariuki, Benson M.; Bonifazi, Davide; Crespo-Otero, Rachel; Wasielewski, Michael R.; Wu, Yi-Lin","Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores.","Chemical science","2020","12","2","767","773","10.1039/d0sc04646a","","x-ray","0.71073","MoKα","","0.0863","0.0677","","","0.1502","0.161","","","","","","1.046","","","","has coordinates,has disorder","267080","2021-07-05","16:53:06",""
"1560150","12.0771","0.0006","13.4199","0.0006","18.1881","0.0009","75.562","0.002","80.992","0.002","87.013","0.002","2819.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H80 Cl N6 O6 -","- C65 H80 Cl N6 O6 -","- C130 H160 Cl2 N12 O12 -","2","1","","Martinez-Cuezva, Alberto; Pastor, Aurelia; Marin-Luna, Marta; Diaz-Marin, Carmen; Bautista, Delia; Alajarin, Mateo; Berna, Jose","Cyclization of interlocked fumaramides into β-lactams: experimental and computational mechanistic assessment of the key intercomponent proton transfer and the stereocontrolling active pocket.","Chemical science","2020","12","2","747","756","10.1039/d0sc05757f","","","1.54178","CuKα","","0.0575","0.0532","","","0.1369","0.1408","","","","","","1.032","","","","has coordinates,has disorder","267070","2021-07-05","16:50:55",""
"1560151","12.3021","0.0011","7.9076","0.0007","18.7346","0.0017","90","","97.095","0.003","90","","1808.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N O2 S2 -","- C20 H20 N O2 S2 -","- C80 H80 N4 O8 S8 -","4","1","","Hu, Jiefeng; Yang, Xianyu; Shi, Shasha; Cheng, Bo; Luo, Xiaoling; Lan, Yu; Loh, Teck-Peng","Metal-free C(sp3)‒H functionalization of sulfonamides via strain-release rearrangement","Chemical Science","2021","12","11","4034","4040","10.1039/D0SC06603F","","","0.71073","MoKα","","0.0759","0.0538","","","0.1209","0.1322","","","","","","1.054","","","","has coordinates","263706","2021-04-05","14:28:01",""
"1560152","11.2754","0.0003","11.2786","0.0002","19.1955","0.0004","81.762","0.002","83.501","0.002","76.134","0.002","2337.6","0.09","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.034","0.0323","","","0.0829","0.0837","","","","","","1.076","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560153","11.3327","0.0002","11.4193","0.0002","19.3877","0.0004","82.951","0.002","80.729","0.002","77.436","0.002","2406.89","0.08","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.065","0.0597","","","0.1635","0.1678","","","","","","1.066","","","","has coordinates,has disorder","263699","2021-04-05","14:25:32",""
"1560154","11.2781","0.0002","11.2893","0.0002","19.213","0.0003","83.432","0.001","81.586","0.001","76.335","0.001","2343.29","0.07","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0328","0.031","","","0.0858","0.0872","","","","","","0.871","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560155","11.2958","0.0003","11.3414","0.0003","19.2872","0.0005","83.238","0.002","81.374","0.002","76.703","0.002","2368.53","0.11","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0392","0.037","","","0.0977","0.099","","","","","","1.075","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560156","11.3259","0.0003","11.3917","0.0003","19.3628","0.0005","83.024","0.002","80.932","0.002","77.121","0.002","2395.24","0.11","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0476","0.0439","","","0.1161","0.1185","","","","","","1.058","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560157","10.2236","0.0007","25.2061","0.0018","13.5364","0.001","90","","110.914","0.002","90","","3258.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0916","0.0712","","","0.1775","0.193","","","","","","1.058","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560158","10.2753","0.0009","25.224","0.002","13.5486","0.0011","90","","111.171","0.002","90","","3274.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0957","0.0767","","","0.1887","0.2102","","","","","","1.022","","","","has coordinates,has disorder","263699","2021-04-05","14:25:32",""
"1560159","10.3328","0.0007","25.4063","0.0017","13.6255","0.0009","90","","111.122","0.0014","90","","3336.6","0.4","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.1027","0.0668","","","0.1847","0.2085","","","","","","1.067","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560160","10.361","0.004","25.435","0.01","13.645","0.006","90","","111.064","0.008","90","","3356","2","320","2","320","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.154","0.0804","","","0.2338","0.3065","","","","","","0.977","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560161","10.28","0.0006","25.269","0.0016","13.5675","0.0008","90","","111.092","0.0013","90","","3288.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0847","0.0607","","","0.1576","0.1737","","","","","","1.063","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560162","11.2892","0.0002","11.3208","0.0003","19.2519","0.0004","83.33","0.002","81.46","0.002","76.478","0.002","2357.22","0.09","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0376","0.0354","","","0.097","0.0988","","","","","","0.8828","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560163","11.3088","0.0003","11.3689","0.0003","19.3307","0.0004","83.1","0.002","81.166","0.002","76.913","0.002","2382.63","0.1","213","2","213","","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0444","0.0408","","","0.1048","0.107","","","","","","1.0297","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560164","9.844","0.0003","11.6767","0.0003","16.7383","0.0005","94.74","0.002","95.623","0.002","104.722","0.002","1840.28","0.09","333","2","333","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.081","0.0706","","","0.212","0.2246","","","","","","0.9914","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560165","11.3611","0.0002","11.5447","0.0003","19.4228","0.0005","82.91","0.002","80.543","0.002","77.861","0.002","2446.24","0.1","333","2","333","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0761","0.0658","","","0.1955","0.2053","","","","","","1.0375","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560166","9.8233","0.0003","11.6256","0.0003","16.7174","0.0005","94.917","0.002","95.464","0.002","104.784","0.003","1825.52","0.1","303","2","303","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0618","0.0546","","","0.1536","0.1587","","","","","","1.085","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560167","11.3456","0.0003","11.4668","0.0003","19.414","0.0005","82.907","0.002","80.58","0.002","77.69","0.002","2424.07","0.11","303","2","303","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0647","0.0572","","","0.1665","0.1736","","","","","","1.0292","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560168","9.7522","0.0002","11.4459","0.0002","16.6761","0.0003","95.5","0.002","95.052","0.002","104.805","0.002","1779.06","0.06","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0655","0.0617","","","0.1707","0.1755","","","","","","1.0058","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560169","10.3108","0.0006","25.3315","0.0017","13.5949","0.0009","90","","111.123","0.0013","90","","3312.2","0.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0929","0.064","","","0.17","0.1905","","","","","","1.052","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560170","9.7269","0.0003","11.4193","0.0003","16.6601","0.0004","95.565","0.002","95.014","0.002","104.744","0.002","1769.03","0.09","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0541","0.0511","","","0.1435","0.1469","","","","","","1.0445","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560171","10.3821","0.0019","25.543","0.005","13.668","0.003","90","","111.172","0.004","90","","3380","1.2","340","2","340","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.1655","0.0866","","","0.241","0.3215","","","","","","1.009","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560172","9.8091","0.0003","11.5747","0.0004","16.7136","0.0005","95.109","0.002","95.249","0.002","104.806","0.003","1814.42","0.1","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0599","0.0544","","","0.149","0.1535","","","","","","1.0059","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560173","10.354","0.003","25.443","0.007","13.638","0.004","90","","111.061","0.005","90","","3352.7","1.7","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.1167","0.0712","","","0.2018","0.2328","","","","","","1.071","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560174","9.8649","0.0003","11.7188","0.0004","16.7606","0.0006","94.613","0.003","95.802","0.003","104.684","0.003","1853.36","0.11","358","2","358","","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0993","0.0834","","","0.2456","0.2648","","","","","","1.0035","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560175","9.691","0.0003","11.3787","0.0003","16.6251","0.0004","95.673","0.002","94.963","0.002","104.636","0.002","1753.22","0.09","93","2","93","","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0619","0.0596","","","0.1677","0.1709","","","","","","1.041","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560176","11.3733","0.0002","11.6068","0.0003","19.427","0.0005","83.003","0.002","80.579","0.002","77.986","0.002","2464.26","0.1","363","2","363","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0862","0.0727","","","0.2161","0.2296","","","","","","1.0302","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560177","9.7922","0.0002","11.5185","0.0003","16.7041","0.0004","95.266","0.002","95.19","0.002","104.874","0.002","1800.49","0.08","243","2","243","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0713","0.0661","","","0.184","0.1897","","","","","","1.0484","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560178","12.1094","0.0005","11.0077","0.0004","9.4271","0.0003","90","","103.617","0.004","90","","1221.28","0.08","150","2","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Si2 -","- C26 H42 Si2 -","- C52 H84 Si4 -","2","0.5","","He, Tao; Wang, Guoqiang; Long, Peng-Wei; Kemper, Sebastian; Irran, Elisabeth; Klare, Hendrik F. T.; Oestreich, Martin","Intramolecular Friedel-Crafts alkylation with a silylium-ion-activated cyclopropyl group: formation of tricyclic ring systems from benzyl-substituted vinylcyclopropanes and hydrosilanes.","Chemical science","2020","12","2","569","575","10.1039/d0sc05553k","","x-ray","1.54184","CuKα","","0.0493","0.043","","","0.1145","0.1202","","","","","","1.053","","","","has coordinates,has disorder","267072","2021-07-05","16:51:23",""
"1560179","10.6538","0.0002","21.0744","0.0004","27.7419","0.0006","90","","90.186","0.0015","90","","6228.6","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H26 Al F20 N6 -","- C62 H26 Al F20 N6 -","- C248 H104 Al4 F80 N24 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.1137","0.0618","","","0.1447","0.1686","","","","","","0.99","","","","has coordinates","267077","2021-07-05","16:52:12",""
"1560180","13.3802","0.0009","15.1258","0.0009","17.4402","0.0015","90","","110.95","0.001","90","","3296.3","0.4","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H21 Al Cl2 F10 N3 O -","- C35 H21 Al Cl2 F10 N3 O -","- C140 H84 Al4 Cl8 F40 N12 O4 -","4","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","0.71073","MoKα","","0.0422","0.0319","","","0.0728","0.0775","","","","","","1.019","","","","has coordinates","267077","2021-07-05","16:52:13",""
"1560181","9.8433","0.0003","10.2481","0.0003","20.401","0.0006","90","","103.193","0.0014","90","","2003.63","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C44 H39 Al Cl F10 N3 O2.5 -","- C44 H39 Al Cl F10 N3 O2.5 -","- C88 H78 Al2 Cl2 F20 N6 O5 -","2","1","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.0403","0.0361","","","0.0894","0.0925","","","","","","1.052","","","","has coordinates,has disorder","267077","2021-07-05","16:52:13",""
"1560182","24.1574","0.0004","16.2905","0.0003","19.344","0.0003","90","","110.105","0.001","90","","7148.7","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H84 Al N10 -","- C88 H84 Al N10 -","- C352 H336 Al4 N40 -","4","0.5","","Arnold, Amela; Sherbow, Tobias J.; Bohanon, Amanda M.; Sayler, Richard I.; Britt, R. David; Smith, Allison M.; Fettinger, James C.; Berben, Louise A.","Delocalization tunable by ligand substitution in [L<sub>2</sub>Al] <sup><i>n</i>-</sup> complexes highlights a mechanism for strong electronic coupling.","Chemical science","2020","12","2","675","682","10.1039/d0sc02812f","","","1.54178","CuKα","","0.0651","0.0526","","","0.1364","0.1456","","","","","","0.995","","","","has coordinates","267077","2021-07-05","16:52:13",""
"1560183","14.7754","0.0011","14.9336","0.0011","14.0276","0.0008","90","","90","","90","","3095.2","0.4","90","2","90","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Co Ho N10 O8 -","- C26 H28 Co Ho N10 O8 -","- C104 H112 Co4 Ho4 N40 O32 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71075","MoKα","","0.0295","0.0288","","","0.0578","0.058","","","","","","1.217","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560184","14.872","0.0003","15.2339","0.0003","14.1487","0.0003","90","","90","","90","","3205.51","0.11","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Ho Ir N10 O8 -","- C26 H28 Ho Ir N10 O8 -","- C104 H112 Ho4 Ir4 N40 O32 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71073","MoKα","","0.0225","0.0187","","","0.0448","0.0462","","","","","","1.094","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560185","14.8236","0.0006","15.1198","0.0008","14.066","0.0007","90","","90","","90","","3152.6","0.3","90","2","90","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C26 H28 Ho N10 O8 Rh -","- C26 H28 Ho N10 O8 Rh -","- C104 H112 Ho4 N40 O32 Rh4 -","4","0.25","","Wang, Junhao; Zakrzewski, Jakub J.; Zychowicz, Mikolaj; Vieru, Veacheslav; Chibotaru, Liviu F.; Nakabayashi, Koji; Chorazy, Szymon; Ohkoshi, Shin-Ichi","Holmium(iii) molecular nanomagnets for optical thermometry exploring the luminescence re-absorption effect.","Chemical science","2020","12","2","730","741","10.1039/d0sc04871b","","x-ray","0.71075","MoKα","","0.0682","0.0574","","","0.0935","0.0969","","","","","","1.175","","","","has coordinates,has disorder","267076","2021-07-05","16:52:01",""
"1560186","6.931","0.0014","7.59","0.0015","7.735","0.0015","60.94","0.03","82.44","0.03","75.12","0.03","343.75","0.16","100","","100","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","","Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A.","Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks","Chemical Science","2021","12","9","3322","3327","10.1039/D0SC06906J","","","0.7108","Synchrotron","","0.0985","0.0925","","0.3309","0.3279","0.3262","","","","","","1.056","","","","has coordinates","263696","2021-04-05","14:22:39",""
"1560187","7.0348","0.00002","7.8512","0.00002","7.8827","0.00002","61.268","0.005","74.309","0.004","82.32","0.005","367.54","0.019","293","","293","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","","Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A.","Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks","Chemical Science","2021","12","9","3322","3327","10.1039/D0SC06906J","","","1.54184","CuKα","","0.081","0.078","","0.2542","0.252","0.2194","","","","","","1.03","","","","has coordinates","263696","2021-04-05","14:22:39",""
"1560188","5.5557","0.0005","7.8957","0.0007","9.0549","0.0008","71.386","0.008","83.555","0.007","74.217","0.007","362.09","0.06","293","","293","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","","Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A.","Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks","Chemical Science","2021","12","9","3322","3327","10.1039/D0SC06906J","","","1.54184","CuKα","","0.0532","0.0456","","0.1382","0.1277","0.1382","","","","","","1.0049","","","","has coordinates","263696","2021-04-05","14:22:39",""
"1560189","6.0794","0.0006","23.851","0.002","6.5545","0.0006","90","","114.294","0.003","90","","866.24","0.14","119.98","","119.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0515","0.0473","","","0.1141","0.1184","","","","","","1.062","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560190","10.2859","0.0006","10.6455","0.0006","7.6374","0.0005","90","","90","","90","","836.28","0.09","120.03","","120.03","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0614","0.0414","","","0.0856","0.0977","","","","","","1.046","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560191","12.4596","0.0007","7.5335","0.0005","10.8814","0.0007","90","","92.749","0.002","90","","1020.2","0.11","119.99","","119.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0563","0.0409","","","0.1117","0.1264","","","","","","1.048","","","","has coordinates","267081","2021-07-05","16:53:14",""
"1560192","9.4978","0.0007","19.9607","0.0013","11.2962","0.0008","90","","91.786","0.002","90","","2140.5","0.3","120.04","","120.04","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","2","","Ma, Liang; Kou, Luyao; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Bao, Xiaoguang; Wan, Xiaobing","Acyclic nitronate olefin cycloaddition (ANOC): regio- and stereospecific synthesis of isoxazolines.","Chemical science","2020","12","2","774","779","10.1039/d0sc05607c","","","0.71073","MoKα","","0.0835","0.0523","","","0.134","0.1609","","","","","","1.036","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1560197","9.5983","0.0012","7.4141","0.0008","28.155","0.003","90","","97.017","0.004","90","","1988.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H17 N -","- C33 H17 N -","- C132 H68 N4 -","4","1","","Ghosh, Animesh; Csókás, Dániel; Budanović, Maja; Webster, Richard D.; Pápai, Imre; Stuparu, Mihaiela C.","Synthesis of azahelicenes through Mallory reaction of imine precursors: corannulene substrates provide an exception to the rule in oxidative photocyclizations of diarylethenes","Chemical Science","2021","12","11","3977","3983","10.1039/D0SC06730J","","","0.71073","MoKα","","0.2157","0.079","","","0.1342","0.1857","","","","","","0.982","","","","has coordinates","263705","2021-04-05","14:27:48",""
"1560198","4.4453","0.0006","8.1098","0.001","12.7463","0.0018","90","","90","","90","","459.51","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- As B F H4 N O4 -","- As B F H4 N O4 -","- As4 B4 F4 H16 N4 O16 -","4","1","","Bai, Zhiyong; Liu, Lehui; Wang, Dongmei; Hu, Chun-Li; Lin, Zhoubin","To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units","Chemical Science","2021","12","11","4014","4020","10.1039/D1SC00080B","","x-ray","1.3405","GaKα","","0.0667","0.0616","","","0.1548","0.1764","","","","","","1.154","","","","has coordinates","263704","2021-04-05","14:27:41",""
"1560199","10.6937","0.0004","10.7364","0.0004","25.1952","0.001","88.365","0.002","83.658","0.002","83.887","0.002","2858.25","0.19","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H65 Cu F3 N4 O4 P3 S -","- C65 H65 Cu F3 N4 O4 P3 S -","- C130 H130 Cu2 F6 N8 O8 P6 S2 -","2","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0914","0.0651","","","0.1603","0.1746","","","","","","1.055","","","","has coordinates,has disorder","263711","2021-04-05","14:29:18",""
"1560200","16.4423","0.0016","20.739","0.0019","15.7833","0.0015","90","","104.388","0.005","90","","5213.2","0.9","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 B Cl Cu F20 N4 O P3 -","- C43 H49 B Cl Cu F20 N4 O P3 -","- C172 H196 B4 Cl4 Cu4 F80 N16 O4 P12 -","4","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0401","0.0351","","","0.1009","0.1059","","","","","","1.031","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560201","16.2129","0.0007","16.8046","0.0007","17.8201","0.0008","90","","90","","90","","4855.1","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Cl2 Cu N4 P3 -","- C15 H39 Cl2 Cu N4 P3 -","- C120 H312 Cl16 Cu8 N32 P24 -","8","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0222","0.0197","","","0.0516","0.0531","","","","","","1.056","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560202","12.8794","0.0005","28.2479","0.001","15.6613","0.0006","90","","110.76","0.001","90","","5327.9","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 B Cu F20 N4 P3 -","- C54 H45 B Cu F20 N4 P3 -","- C216 H180 B4 Cu4 F80 N16 P12 -","4","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0657","0.0456","","","0.0835","0.0897","","","","","","1.104","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560203","13.443","0.0019","14.253","0.002","14.599","0.002","93.503","0.007","105.397","0.006","107.916","0.006","2534.8","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H39 B Cu F20 N4 P3 -","- C39 H39 B Cu F20 N4 P3 -","- C78 H78 B2 Cu2 F40 N8 P6 -","2","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0558","0.0367","","","0.0873","0.0964","","","","","","1.012","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560204","9.6009","0.0002","10.3983","0.0002","9.9867","0.0002","90","","115.222","0.001","90","","901.95","0.03","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 S2 -","- C19 H18 N2 O2 S2 -","- C38 H36 N4 O4 S4 -","2","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","1.54178","CuKα","","0.0242","0.0236","","","0.0601","0.0607","","","","","","1.038","","","","has coordinates","263714","2021-04-05","14:29:42",""
"1560205","23.069","0.0011","24.5839","0.0012","9.5501","0.0004","90","","90","","90","","5416.1","0.4","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C38 H56 F9 N4 O16 S3 Yb -","- C38 H56 F9 N4 O16 S3 Yb -","- C152 H224 F36 N16 O64 S12 Yb4 -","4","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","0.71073","MoKα","","0.0222","0.0215","","","0.0565","0.0572","","","","","","1.125","","","","has coordinates,has disorder","263714","2021-04-05","14:29:42",""
"1560206","11.9789","0.0005","20.7474","0.0009","12.9099","0.0005","90","","106.293","0.001","90","","3079.7","0.2","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H78 F9 N4 O17 S3 Yb -","- C49 H78 F9 N4 O17 S3 Yb -","- C98 H156 F18 N8 O34 S6 Yb2 -","2","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","1.54178","CuKα","","0.0218","0.0217","","","0.056","0.056","","","","","","1.053","","","","has coordinates","263714","2021-04-05","14:29:42",""
"1560207","8.9363","0.0005","15.5536","0.0009","17.3731","0.0009","106.709","0.004","97.475","0.004","95.961","0.004","2267.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C122 H112 O4 S2 -","- C122 H112 O4 S2 -","- C122 H112 O4 S2 -","1","0.5","","Lu, Xuefeng; An, Dongyue; Han, Yi; Zou, Ya; Qiao, Yanjun; Zhang, Ning; Chang, Dongdong; Wu, Jishan; Liu, Yunqi","A cyclopenta-fused dibenzo[b,d]thiophene-co-phenanthrene macrocyclic tetraradicaloid","Chemical Science","2021","12","11","3952","3957","10.1039/D0SC06185A","","","1.54178","CuKα","","0.1777","0.0915","","","0.2296","0.2901","","","","","","0.968","","","","has coordinates,has disorder","263701","2021-04-05","14:26:15",""
"1560208","9.7333","0.001","27.941","0.002","42.675","0.004","75.096","0.007","83.457","0.007","84.935","0.007","11121.3","1.8","298.15","","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H66 Cu3 N9 -","- C63 H66 Cu3 N9 -","- C504 H528 Cu24 N72 -","8","4","","Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan","Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex","Chemical Science","2021","12","12","4425","4431","10.1039/D0SC07058K","","","0.71073","MoKα","","0.5885","0.1609","","","0.2386","0.4138","","","","","","0.948","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1560209","11.4093","0.0001","28.8937","0.0001","17.7109","0.0001","90","","104.338","0.001","90","","5656.66","0.07","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C63 H66 Cu3 N9 -","- C63 H66 Cu3 N9 -","- C252 H264 Cu12 N36 -","4","2","","Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan","Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex","Chemical Science","2021","12","12","4425","4431","10.1039/D0SC07058K","","x-ray","1.54184","CuKα","","0.1009","0.099","","","0.251","0.2556","","","","","","1.226","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1560210","11.52641","0.00011","29.1085","0.0003","17.85854","0.00017","90","","103.99","0.001","90","","5814.11","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 Cu3 N9 -","- C63 H66 Cu3 N9 -","- C252 H264 Cu12 N36 -","4","1","","Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan","Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex","Chemical Science","2021","12","12","4425","4431","10.1039/D0SC07058K","","x-ray","1.54184","CuKα","","0.0717","0.0573","","","0.1758","0.1885","","","","","","1.054","","","","has coordinates,has disorder","263709","2021-04-05","14:28:37",""
"1560211","13.571","0.004","11.046","0.004","19.406","0.006","90","","102.992","0.011","90","","2834.6","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Fe N4 O7 -","- C22 H45 Fe N4 O7 -","- C88 H180 Fe4 N16 O28 -","4","1","","Keshari, Kritika; Bera, Moumita; Velasco, Lucía; Munshi, Sandip; Gupta, Geetika; Moonshiram, Dooshaye; Paria, Sayantan","Characterization and reactivity study of non-heme high-valent iron‒hydroxo complexes","Chemical Science","2021","12","12","4418","4424","10.1039/D0SC07054H","","","0.71073","MoKα","","0.0949","0.0617","","","0.1573","0.1908","","","","","","1.067","","","","has coordinates","263707","2021-04-05","14:28:09",""
"1560212","8.1656","0.0012","15.1358","0.0014","15.7979","0.0016","90","","102.468","0.0019","90","","1906.5","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O2 -","- C30 H16 O2 -","- C120 H64 O8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54187","CuKα","","0.0341","0.0313","","","0.0825","0.0844","","","","","","1.046","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560213","15.9958","0.0001","15.9492","0.0001","7.8148","0.0001","90","","91.516","0.001","90","","1993.02","0.03","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N2 -","- C30 H18 N2 -","- C120 H72 N8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54184","CuKα","","0.0394","0.038","","","0.0937","0.0948","","","","","","1.049","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560214","17.7976","0.0002","10.4721","0.0001","11.7388","0.0001","90","","99.158","0.001","90","","2159.97","0.04","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 O2 S -","- C15 H8 O2 S -","- C120 H64 O16 S8 -","8","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54184","CuKα","","0.0362","0.036","","","0.0973","0.0975","","","","","","1.093","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560215","8.57192","0.00004","20.53361","0.0001","22.43166","0.00011","90","","90","","90","","3948.25","0.03","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C57 H34 Cl2 -","- C57 H34 Cl2 -","- C228 H136 Cl8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54184","CuKα","","0.0373","0.0366","","","0.0999","0.1004","","","","","","1.03","","","","has coordinates,has disorder","263683","2021-04-05","14:19:04",""
"1560216","9.338","0.003","13.622","0.003","16.299","0.004","90","","102.204","0.007","90","","2026.4","0.9","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 S2 -","- C30 H16 S2 -","- C120 H64 S8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54187","CuKα","","0.0318","0.0311","","","0.0794","0.0797","","","","","","1.071","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560217","9.0201","0.0009","9.0201","0.0009","49.382","0.007","90","","90","","90","","4017.8","0.8","93","2","93","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C28.5 H16.5 Cl1.5 O -","- C28.5 H16.5 Cl1.5 O -","- C228 H132 Cl12 O8 -","8","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54187","CuKα","","0.0888","0.0853","","","0.2422","0.2449","","","","","","1.002","","","","has coordinates,has disorder","263683","2021-04-05","14:19:04",""
"1560218","19.84621","0.00017","15.33735","0.0001","19.6362","0.0002","90","","91.1824","0.0008","90","","5975.76","0.09","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H86 B P2 Y -","- C70 H86 B P2 Y -","- C280 H344 B4 P8 Y4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0645","0.0474","","","0.1042","0.112","","","","","","1.03","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560219","14.68263","0.00018","10.27641","0.00016","28.8561","0.0004","90","","94.9221","0.0012","90","","4337.89","0.11","120","1","120","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H57 Cl2 F6 P2 Ru Sb -","- C36 H50 Cl F6 P2 Ru Sb -","- C144 H200 Cl4 F24 P8 Ru4 Sb4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0632","0.0395","","","0.0771","0.0844","","","","","","1.024","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560220","13.847","0.006","11.756","0.006","17.937","0.008","90","","95.395","0.009","90","","2907","2","100","2","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl4 Hf P2 -","- C26 H36 Cl4 Hf P2 -","- C104 H144 Cl16 Hf4 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0321","0.0231","","","0.0475","0.0508","","","","","","1.073","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560221","20.20265","0.0001","16.84883","0.00009","20.7566","0.00009","90","","90","","90","","7065.36","0.06","120","1","120","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H43 Cl5 N P2 Ta -","- C33 H43 Cl5 N P2 Ta -","- C264 H344 Cl40 N8 P16 Ta8 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0231","0.0196","","","0.0461","0.0476","","","","","","1.027","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560222","12.12","0.005","18.798","0.008","15.683","0.006","90","","111.303","0.006","90","","3329","2","100","2","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H39 Br Cl3 Mn O3 P2 -","- C30.5 H39 Br Cl3 Mn O3 P2 -","- C122 H156 Br4 Cl12 Mn4 O12 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0355","0.0285","","","0.0754","0.079","","","","","","1.031","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560223","11.87864","0.00015","15.68278","0.00018","15.58857","0.00018","90","","102.773","0.0012","90","","2832.13","0.06","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cr O4 P2 -","- C30 H36 Cr O4 P2 -","- C120 H144 Cr4 O16 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0463","0.0399","","","0.0852","0.0881","","","","","","1.09","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560224","18.1766","0.00019","11.59885","0.00008","21.4296","0.0002","90","","114.947","0.0012","90","","4096.41","0.08","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 Cl N O2 P2 Pt -","- C41 H52 Cl N O P2 Pt -","- C164 H208 Cl4 N4 O4 P8 Pt4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0408","0.0313","","","0.0592","0.0617","","","","","","1.104","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560225","8.68119","0.0001","24.5831","0.0003","20.7842","0.0003","90","","96.7728","0.0011","90","","4404.61","0.1","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 Cl5 F6 P2 Rh Sb -","- C37 H53 Cl3 F6 P2 Rh Sb -","- C148 H212 Cl12 F24 P8 Rh4 Sb4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0773","0.0562","","","0.1219","0.131","","","","","","1.052","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560226","10.771","0.005","18.02","0.009","16.983","0.008","90","","97.989","0.012","90","","3264","3","100","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 N2 O3 P2 W -","- C33 H42 N2 O3 P2 W -","- C132 H168 N8 O12 P8 W4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0282","0.0206","","","0.0439","0.0467","","","","","","1.07","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560227","15.652","0.0007","16.072","0.0007","22.3038","0.0012","90","","90","","90","","5610.7","0.5","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 O3 P2 W -","- C29 H36 O3 P2 W -","- C232 H288 O24 P16 W8 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.1058","0.0678","","","0.1097","0.1252","","","","","","1.076","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560228","10.771","0.004","18.08","0.007","16.992","0.007","90","","97.838","0.01","90","","3278","2","100","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Mo N2 O3 P2 -","- C33 H42 Mo N2 O3 P2 -","- C132 H168 Mo4 N8 O12 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0431","0.0316","","","0.0746","0.0803","","","","","","1.031","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560229","10.8424","0.0003","15.9246","0.0005","22.3877","0.0005","90","","101.63","0.003","90","","3786.12","0.18","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Mo O6 P2 -","- C38 H52 Mo O6 P2 -","- C152 H208 Mo4 O24 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.109","0.0715","","","0.1633","0.1833","","","","","","1.073","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560230","32.514","0.0004","11.57882","0.00009","39.5477","0.0004","90","","113.917","0.0013","90","","13610.2","0.3","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H48 Mo O4.5 P2 -","- C35 H48 Mo O4.5 P2 -","- C560 H768 Mo16 O72 P32 -","16","2","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0457","0.0417","","","0.0976","0.0998","","","","","","1.026","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560231","11.28458","0.00015","13.79053","0.00015","47.7699","0.0004","90","","90.5291","0.001","90","","7433.65","0.14","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H100 Au B F2 O P2 -","- C76 H85.612 Au B F P2 -","- C304 H342.448 Au4 B4 F4 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.1206","0.0764","","","0.1264","0.1384","","","","","","1.127","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560232","15.65317","0.00006","16.11165","0.00008","22.26048","0.00009","90","","90","","90","","5614.06","0.04","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Mo O3 P2 -","- C29 H36 Mo O3 P2 -","- C232 H288 Mo8 O24 P16 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0201","0.0192","","","0.0447","0.0451","","","","","","1.09","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560233","20.688","0.011","26.218","0.015","40.07","0.02","90","","95.99","0.01","90","","21615","2","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 O3 P2 S2 Zn -","- C51 H72 O1.75 P2 S2 Zn -","- C816 H1152 O28 P32 S32 Zn16 -","16","4","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.1325","0.0627","","","0.1318","0.1603","","","","","","1.006","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560236","17.6827","0.0001","10.4422","0.0001","22.5408","0.0002","90","","90","","90","","4162.08","0.06","99.97","0.13","99.97","0.13","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H43 Ba N6 O11 S2 -","- C32 H43 Ba N6 O11 S2 -","- C128 H172 Ba4 N24 O44 S8 -","4","1","","Abou, Diane S.; Thiele, Nikki A.; Gutsche, Nicholas T.; Villmer, Alexandria; Zhang, Hanwen; Woods, Joshua J.; Baidoo, Kwamena E.; Escorcia, Freddy E.; Wilson, Justin J.; Thorek, Daniel L. J.","Towards the stable chelation of radium for biomedical applications with an 18-membered macrocyclic ligand","Chemical Science","2021","12","10","3733","3742","10.1039/D0SC06867E","","x-ray","1.54184","CuKα","","0.0702","0.0698","","","0.2009","0.2018","","","","","","1.113","","","","has coordinates,has disorder","263665","2021-04-05","14:12:03",""
"1560237","16.297","0.0001","17.0451","0.0001","17.8125","0.0001","90","","90","","90","","4948.03","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H76 Cl Ir N2 -","- C59 H76 Cl Ir N2 -","- C236 H304 Cl4 Ir4 N8 -","4","1","","Foster, Daven; Gao, Pengchao; Zhang, Ziyun; Sipos, Gellért; Sobolev, Alexandre N.; Nealon, Gareth; Falivene, Laura; Cavallo, Luigi; Dorta, Reto","Design, scope and mechanism of highly active and selective chiral NHC‒iridium catalysts for the intramolecular hydroamination of a variety of unactivated aminoalkenes","Chemical Science","2021","12","10","3751","3767","10.1039/D0SC05884J","","","1.54178","CuKα","","0.0296","0.0271","","","0.0645","0.0663","","","","","","1.001","","","","has coordinates","263680","2021-04-05","14:17:52",""
"1560238","9.3936","0.0009","16.783","0.0016","17.8687","0.0017","75.171","0.004","83.247","0.004","84.427","0.004","2697.7","0.4","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H64 Br2 N4 O13 -","- C55 H64 Br2 N4 O13 -","- C110 H128 Br4 N8 O26 -","2","1","","Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J.","Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework","Chemical Science","2021","12","11","3944","3951","10.1039/D0SC06837C","","","1.54178","CuKα","","0.2112","0.152","","","0.2536","0.2761","","","","","","1.341","","","","has coordinates","263700","2021-04-05","14:25:59",""
"1560239","19.889","0.005","18.209","0.004","33.691","0.007","90","","105.93","0.02","90","","11733","5","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H52 Br2 N4 O12 -","- C50 H52 Br2 N4 O12 -","- C400 H416 Br16 N32 O96 -","8","2","","Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J.","Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework","Chemical Science","2021","12","11","3944","3951","10.1039/D0SC06837C","","x-ray","1.54184","CuKα","","0.2789","0.2005","","","0.4848","0.5352","","","","","","1.35","","","","has coordinates,has disorder","263700","2021-04-05","14:26:06",""
"1560240","28.49","0.02","10.505","0.004","43.418","0.018","90","","106.34","0.05","90","","12470","12","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H67.5 B Br2 F4 N4.5 O12.5 -","- C57 H67.5 B Br2 F4 N4.5 O12.5 -","- C456 H540 B8 Br16 F32 N36 O100 -","8","2","","Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J.","Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework","Chemical Science","2021","12","11","3944","3951","10.1039/D0SC06837C","","","1.54178","CuKα","","0.1323","0.1139","","","0.2936","0.3088","","","","","","1.041","","","","has coordinates,has disorder","263700","2021-04-05","14:26:06",""
"1560241","9.60831","0.00008","33.8371","0.0003","10.09764","0.0001","90","","99.1105","0.0008","90","","3241.5","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 F3 P2 -","- C38 H41 F3 P2 -","- C152 H164 F12 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0404","0.0364","","","0.0953","0.0982","","","","","","1.04","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560242","10.9245","0.0002","12.9655","0.0003","14.1731","0.0002","63.574","0.002","81.1475","0.0015","75.1466","0.0018","1735.83","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.79 H50.79 Cl0.41 N0.79 P2 -","- C41.794 H50.794 Cl0.412 N0.794 P2 -","- C83.588 H101.588 Cl0.824 N1.588 P4 -","2","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.035","0.0334","","","0.087","0.088","","","","","","1.043","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560243","41.898","0.003","15.2834","0.0004","11.6875","0.0009","90","","93.097","0.008","90","","7473.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Au Cl O P2 -","- C38 H44 Au Cl O P2 -","- C304 H352 Au8 Cl8 O8 P16 -","8","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0295","0.0285","","","0.079","0.0798","","","","","","1.061","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560244","9.3045","0.0004","10.502","0.0004","18.6397","0.0006","97.739","0.003","91.819","0.003","94.738","0.003","1796.94","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50 Au Cl O P2 -","- C41 H50 Au Cl O P2 -","- C82 H100 Au2 Cl2 O2 P4 -","2","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0483","0.0466","","","0.1291","0.1332","","","","","","1.081","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560245","10.29027","0.00019","10.5467","0.0002","29.0177","0.0006","90","","96.2428","0.0017","90","","3130.57","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 P2 -","- C38 H44 P2 -","- C152 H176 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0532","0.0397","","","0.0993","0.1076","","","","","","1.033","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560246","11.24594","0.00015","18.3601","0.0002","18.9125","0.0003","90","","95.9476","0.0012","90","","3883.97","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H52 Au Cl P2 -","- C45 H52 Au Cl P2 -","- C180 H208 Au4 Cl4 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0261","0.0247","","","0.0608","0.0616","","","","","","1.072","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560247","12.0432","0.0002","16.7764","0.0002","17.8978","0.0002","90","","106.65","0.001","90","","3464.49","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Au Cl P2 -","- C40 H48 Au Cl P2 -","- C160 H192 Au4 Cl4 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","x-ray","1.54184","CuKα","","0.0197","0.0189","","","0.049","0.0494","","","","","","1.06","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560248","11.01072","0.00016","17.1399","0.0002","18.8182","0.0002","80.1354","0.0011","77.3539","0.0012","89.9789","0.0012","3411.48","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H41 Au Cl F3 P2 -","- C38 H41 Au Cl F3 P2 -","- C152 H164 Au4 Cl4 F12 P8 -","4","2","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0244","0.0228","","","0.0588","0.0594","","","","","","1.093","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560249","11.3956","0.00015","15.6766","0.0002","18.1208","0.0003","90","","90","","90","","3237.18","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C38 H44 O P2 -","- C38 H44 O P2 -","- C152 H176 O4 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0384","0.0367","","","0.0966","0.0984","","","","","","1.019","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560250","9.3576","0.0005","13.3096","0.0006","14.9346","0.0008","93.442","0.004","93.343","0.004","107.914","0.004","1760.89","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H50 P2 -","- C44 H50 P2 -","- C88 H100 P4 -","2","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0503","0.0389","","","0.0917","0.0998","","","","","","1.023","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560274","9.4575","0.0006","13.1739","0.0008","12.1272","0.0007","90","","101.138","0.002","90","","1482.49","0.16","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H40 K N O6 -","- C32 H40 K N O6 -","- C64 H80 K2 N2 O12 -","2","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0239","0.0231","","","0.0581","0.0587","","","","","","1.064","","","","has coordinates","263715","2021-04-05","14:29:56",""
"1560275","17.7615","0.0007","11.8703","0.0004","34.9201","0.0013","90","","100.04","0.002","90","","7249.6","0.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N Na O6 -","- C38 H50 N Na O6 -","- C304 H400 N8 Na8 O48 -","8","2","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0601","0.0414","","","0.0958","0.1048","","","","","","1.015","","","","has coordinates,has disorder","263715","2021-04-05","14:29:56",""
"1560276","11.6153","0.0005","11.6198","0.0005","12.645","0.0006","104.751","0.002","95.937","0.002","99.774","0.002","1607.08","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 N Na O6 -","- C32 H46 N Na O6 -","- C64 H92 N2 Na2 O12 -","2","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0553","0.0471","","","0.1206","0.1277","","","","","","1.028","","","","has coordinates","263715","2021-04-05","14:29:56",""
"1560277","9.8522","0.0009","7.7653","0.0007","12.2084","0.0011","90","","95.841","0.005","90","","929.16","0.15","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H20 N -","- C26 H20 N -","- C52 H40 N2 -","2","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0337","0.031","","","0.0761","0.0775","","","","","","1.061","","","","has coordinates","263715","2021-04-05","14:29:56",""
"1560278","11.6347","0.0005","18.1467","0.0009","31.5962","0.0014","90","","95.756","0.002","90","","6637.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 Li2 N2 O12 -","- C64 H92 Li2 N2 O12 -","- C256 H368 Li8 N8 O48 -","4","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0942","0.0799","","","0.1849","0.1933","","","","","","1.105","","","","has coordinates,has disorder","263715","2021-04-05","14:29:56",""
"1560279","7.2814","0.0002","10.1224","0.0002","12.178","0.0003","92.523","0.002","106.963","0.002","100.062","0.002","841.02","0.04","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C17.24 H19.73 N3 O4.75 -","- C17.244 H19.734 N3 O4.754 -","- C34.488 H39.468 N6 O9.508 -","2","1","","Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Gelfand, Benjamin S.; Derksen, Darren J.","Rapid synthesis of pomalidomide-conjugates for the development of protein degrader libraries","Chemical Science","2021","12","12","4519","4525","10.1039/D0SC05442A","","","1.54178","CuKα","","0.049","0.0482","","","0.1237","0.1247","","","","","","1.068","","","","has coordinates,has disorder","263713","2021-04-05","14:29:32",""
"1560292","18.9647","0.0019","12.1455","0.0012","26.148","0.003","90","","107.084","0.003","90","","5757.1","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59.5 H70 N10 Ni2 O10.5 -","- C59.5 H70 N10 Ni2 O10.5 -","- C238 H280 N40 Ni8 O42 -","4","1","","Liu, Guan-Lin; Wu, Hsin-Wei; Lin, Zheng-Ian; Liao, Min-Gan; Su, Yu-Chia; Chen, Chih-Kuang; Ko, Bao-Tsan","Synthesis of functional CO2-based polycarbonates via dinuclear nickel nitrophenolate-based catalysis for degradable surfactant and drug-loaded nanoparticle applications","Polymer Chemistry","2021","12","9","1244","1259","10.1039/D0PY01755H","","","0.71073","MoKα","","0.124","0.1139","","","0.2685","0.2743","","","","","","1.017","","","","has coordinates","263859","2021-04-05","15:22:21",""
"1560293","12.9818","0.0008","14.4796","0.0008","17.1256","0.0012","104.692","0.002","96.273","0.002","90.903","0.002","3092.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H70 Cl2 N12 Ni2 O14 -","- C60 H70 Cl2 N12 Ni2 O14 -","- C120 H140 Cl4 N24 Ni4 O28 -","2","1","","Liu, Guan-Lin; Wu, Hsin-Wei; Lin, Zheng-Ian; Liao, Min-Gan; Su, Yu-Chia; Chen, Chih-Kuang; Ko, Bao-Tsan","Synthesis of functional CO2-based polycarbonates via dinuclear nickel nitrophenolate-based catalysis for degradable surfactant and drug-loaded nanoparticle applications","Polymer Chemistry","2021","12","9","1244","1259","10.1039/D0PY01755H","","","0.71073","MoKα","","0.1066","0.0726","","","0.1786","0.206","","","","","","1.038","","","","has coordinates,has disorder","263859","2021-04-05","15:22:22",""
"1560294","14.843","0.002","16.799","0.003","17.052","0.003","111.232","0.005","106.501","0.005","104.907","0.005","3477.9","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H88 N12 Ni2 O16 -","- C67 H88 N12 Ni2 O16 -","- C134 H176 N24 Ni4 O32 -","2","1","","Liu, Guan-Lin; Wu, Hsin-Wei; Lin, Zheng-Ian; Liao, Min-Gan; Su, Yu-Chia; Chen, Chih-Kuang; Ko, Bao-Tsan","Synthesis of functional CO2-based polycarbonates via dinuclear nickel nitrophenolate-based catalysis for degradable surfactant and drug-loaded nanoparticle applications","Polymer Chemistry","2021","12","9","1244","1259","10.1039/D0PY01755H","","","0.71073","MoKα","","0.1295","0.0865","","","0.278","0.3111","","","","","","1.054","","","","has coordinates","263859","2021-04-05","15:22:22",""
"1560298","12.6493","0.0002","9.244","0.0002","18.0005","0.0003","90","","90","","90","","2104.8","0.07","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","methyl 4-(5,5-difluoro-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-10-yl)-2-methylene-3-phenylpentanoate","","- C22 H21 B F2 N2 O2 -","- C22 H21 B F2 N2 O2 -","- C88 H84 B4 F8 N8 O8 -","4","1","","Meazza, Marta; Cruz, Carlos M.; Ortuño, Ana M.; Cuerva, Juan M.; Crovetto, Luis; Rios, Ramon","Studying the reactivity of alkyl substituted BODIPYs: first enantioselective addition of BODIPY to MBH carbonates","Chemical Science","2021","12","12","4503","4508","10.1039/D0SC06574A","","x-ray","0.71073","MoKα","","0.0724","0.0612","","","0.1535","0.1622","","","","","","1.09","","","","has coordinates","263717","2021-04-05","14:30:35",""
"1560301","25.3115","0.0007","44.5483","0.0014","10.235","0.0002","90","","90","","90","","11540.8","0.5","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C144 H124 N2 P8 Ru2 S -","- C144 H124 N2 P8 Ru2 S -","- C576 H496 N8 P32 Ru8 S4 -","4","1","","Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction","Chemical Science","2021","12","12","4338","4344","10.1039/D0SC06613C","","x-ray","1.54184","CuKα","","0.0716","0.0518","","","0.1377","0.152","","","","","","1.038","","","","has coordinates,has disorder","263716","2021-04-05","14:30:19",""
"1560302","12.3659","0.0003","17.9279","0.0005","20.5933","0.0005","108.974","0.002","100.29","0.002","100.6","0.002","4101.7","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C198 H178 P12 Ru3 S2 Si2 -","- C198 H178 P12 Ru3 S2 Si2 -","- C198 H178 P12 Ru3 S2 Si2 -","1","0.5","","Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction","Chemical Science","2021","12","12","4338","4344","10.1039/D0SC06613C","","","1.54184","CuKα","","0.1114","0.089","","","0.2561","0.2693","","","","","","1.077","","","","has coordinates,has disorder","263716","2021-04-05","14:30:19",""
"1560303","10.107","0.0012","15.3835","0.0018","37.02","0.004","83.51","0.002","89.395","0.002","86.371","0.002","5707.5","1.1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H116 P8 Ru2 S Si2 -","- C126 H116 P8 Ru2 S Si2 -","- C252 H232 P16 Ru4 S2 Si4 -","2","1","","Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction","Chemical Science","2021","12","12","4338","4344","10.1039/D0SC06613C","","","0.71073","MoKα","","0.0904","0.0664","","","0.1577","0.1684","","","","","","1.0333","","","","has coordinates,has disorder","263716","2021-04-05","14:30:19",""
"1560304","7.5851","0.0007","43.318","0.003","8.593","0.0008","90","","100.325","0.002","90","","2777.7","0.4","273","2","273.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4a","","","- C25 H14 O3 S -","- C25 H14 O3 S -","- C150 H84 O18 S6 -","6","1.5","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.0652","0.0425","","","0.0939","0.1028","","","","","","1.041","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560305","13.4502","0.0006","15.5304","0.0007","16.0826","0.0007","106.612","0.002","101.513","0.001","105.375","0.001","2962.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","11","","","- C62 H41 B F24 N2 O3 -","- C62 H41 B F24 N2 O3 -","- C124 H82 B2 F48 N4 O6 -","2","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.0572","0.0442","","","0.1091","0.1187","","","","","","1.051","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560306","13.1828","0.0013","17.102","0.0016","17.4082","0.0017","114.902","0.003","105.306","0.003","96.778","0.003","3313.7","0.6","103.85","","103.85","","","","","","","","","8","P -1","-P 1","2","9","","","- C70.5 H56 B Cl F24 N3 O3 P -","- C70.5 H56 B Cl F24 N3 O3 P -","- C141 H112 B2 Cl2 F48 N6 O6 P2 -","2","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.0772","0.0523","","","0.1337","0.1531","","","","","","1.051","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560307","19.596","0.0013","18.3533","0.0013","18.172","0.0013","90","","108.476","0.004","90","","6198.7","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","8","","","- C64 H50 B F24 O4 P -","- C64 H50 B F24 O4 P -","- C256 H200 B4 F96 O16 P4 -","4","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.1158","0.0828","","","0.1955","0.2159","","","","","","1.07","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560308","10.071","0.0003","18.5524","0.0004","13.0354","0.0004","90","","111.106","0.003","90","","2272.16","0.12","99.95","0.13","99.95","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3a","","","- C23 H20 B Cl2 F4 O3 P -","- C23 H20 B Cl2 F4 O3 P -","- C92 H80 B4 Cl8 F16 O12 P4 -","4","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","x-ray","0.71073","MoKα","","0.058","0.0393","","","0.0902","0.0987","","","","","","1.023","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560309","14.2681","0.0007","3.9182","0.0002","17.1782","0.001","90","","109.954","0.002","90","","902.7","0.08","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RM436","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C48 H32 N8 O4 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0598","0.046","","","0.1064","0.1119","","","","","","1.089","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560310","10.6358","0.0004","9.5636","0.0004","10.4269","0.0004","90","","100.187","0.002","90","","1043.87","0.07","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RM447","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0481","0.0401","","","0.0976","0.1025","","","","","","1.036","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560311","10.8844","0.0009","9.9707","0.0007","9.168","0.0007","90","","91.835","0.003","90","","994.45","0.13","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RNH389f2","","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0529","0.0415","","","0.1046","0.1163","","","","","","1.043","","","","has coordinates,has disorder","265918","2021-06-05","17:55:37",""
"1560312","11.6656","0.0004","9.4061","0.0004","10.7626","0.0005","90","","97.797","0.002","90","","1170.04","0.08","112","2","112","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RNH142F1","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0622","0.0434","","","0.0933","0.1005","","","","","","1.032","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560313","21.9099","0.0011","6.5137","0.0004","14.4743","0.0008","90","","115.663","0.002","90","","1861.93","0.18","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","RNH378","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0489","0.0423","","","0.1005","0.1041","","","","","","1.07","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560314","7.3211","0.0002","7.9973","0.0002","8.7918","0.0003","69.178","0.001","74.117","0.001","83.714","0.001","462.72","0.02","103","2","103","2","","","","","","","","4","P -1","-P 1","2","RM445-4-8","","","- C10 H11 N S -","- C10 H11 N S -","- C20 H22 N2 S2 -","2","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0299","0.0266","","","0.0679","0.0704","","","","","","1.065","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560315","12.1957","0.001","7.1469","0.0005","12.4085","0.0011","90","","105.197","0.003","90","","1043.72","0.15","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RM444","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0615","0.0431","","","0.0969","0.1092","","","","","","1.054","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560320","8.8225","0.0004","23.3225","0.0013","20.1979","0.001","90","","90","","90","","4156","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 Br2 N2 Ni O6 -","- C46 H48 Br2 N2 Ni O6 -","- C184 H192 Br8 N8 Ni4 O24 -","4","1","","Ma, Xin; Zhang, Yixin; Jian, Zhongbao","Tunable branching and living character in ethylene polymerization using “polyethylene glycol sandwich” α-diimine nickel catalysts","Polymer Chemistry","2021","12","9","1236","1243","10.1039/D0PY01689F","","","1.54178","CuKα","","0.0693","0.0651","","","0.1746","0.1789","","","","","","1.001","","","","has coordinates","263860","2021-04-05","15:22:35",""
"1560321","11.7634","0.0004","19.4057","0.0007","19.6256","0.0007","90","","97.145","0.002","90","","4445.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 Cl N2 O4 Pd -","- C43 H43 Cl N2 O4 Pd -","- C172 H172 Cl4 N8 O16 Pd4 -","4","1","","Ma, Xin; Zhang, Yixin; Jian, Zhongbao","Tunable branching and living character in ethylene polymerization using “polyethylene glycol sandwich” α-diimine nickel catalysts","Polymer Chemistry","2021","12","9","1236","1243","10.1039/D0PY01689F","","","1.54178","CuKα","","0.099","0.0829","","","0.1811","0.1936","","","","","","0.943","","","","has coordinates,has disorder","263860","2021-04-05","15:22:36",""
"1560322","24.6463","0.0016","40.129","0.003","8.8579","0.0005","90","","97.615","0.002","90","","8683.5","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55.5 Br2 N2 Ni O2 -","- C50 H55.5 Br2 N2 Ni O2 -","- C400 H444 Br16 N16 Ni8 O16 -","8","2","","Ma, Xin; Zhang, Yixin; Jian, Zhongbao","Tunable branching and living character in ethylene polymerization using “polyethylene glycol sandwich” α-diimine nickel catalysts","Polymer Chemistry","2021","12","9","1236","1243","10.1039/D0PY01689F","","","1.54178","CuKα","","0.1439","0.0989","","","0.2707","0.2999","","","","","","1.131","","","","has coordinates","263860","2021-04-05","15:22:36",""
"1560367","9.4091","0.0012","15.768","0.003","25.766","0.005","90","","94.907","0.003","90","","3808.7","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 K Mn N3 O12 -","- C35 H51 K Mn N3 O12 -","- C140 H204 K4 Mn4 N12 O48 -","4","1","","Yang, Yong; Ertem, Mehmed Z.; Duan, Lele","An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential","Chemical Science","2021","12","13","4779","4788","10.1039/D0SC05679K","","x-ray","0.71073","MoKα","","0.1054","0.0845","","","0.2174","0.2382","","","","","","1.026","","","","has coordinates,has disorder","265921","2021-06-05","17:56:33",""
"1560368","10.5955","0.0004","10.5011","0.0004","15.0027","0.0006","90","","94.048","0.001","90","","1665.1","0.11","100","","100.03","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br Mn N3 O4 -","- C16 H13 Br Mn N3 O4 -","- C64 H52 Br4 Mn4 N12 O16 -","4","1","","Yang, Yong; Ertem, Mehmed Z.; Duan, Lele","An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential","Chemical Science","2021","12","13","4779","4788","10.1039/D0SC05679K","","x-ray","0.71073","MoKα","","0.0293","0.0227","","","0.0491","0.0515","","","","","","1.023","","","","has coordinates","265921","2021-06-05","17:56:33",""
"1560369","10.65","0.004","9.121","0.004","16.456","0.006","90","","100.266","0.012","90","","1572.9","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br Mn N3 O4 -","- C15 H11 Br Mn N3 O4 -","- C60 H44 Br4 Mn4 N12 O16 -","4","1","","Yang, Yong; Ertem, Mehmed Z.; Duan, Lele","An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential","Chemical Science","2021","12","13","4779","4788","10.1039/D0SC05679K","","x-ray","0.71073","MoKα","","0.0353","0.0287","","","0.0682","0.0709","","","","","","1.038","","","","has coordinates","265921","2021-06-05","17:56:34",""
"1560370","6.8601","0.0004","20.5081","0.0011","7.345","0.0004","90","","92.708","0.001","90","","1032.2","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O9 -","- C22 H20 N2 O9 -","- C44 H40 N4 O18 -","2","1","","Yang, Jinghui; Xia, Yan","Mechanochemical generation of acid-degradable poly(enol ether)s","Chemical Science","2021","12","12","4389","4394","10.1039/D1SC00001B","","x-ray","1.54178","CuKα","","0.0282","0.0281","","","0.0775","0.0776","","","","","","1.019","","","","has coordinates","263712","2021-04-05","14:29:25",""
"1560371","10.535","0.0008","6.4885","0.0005","18.7172","0.0017","90","","92.323","0.002","90","","1278.39","0.18","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C9 H15 B F4 N6 -","- C9 H15 B F4 N6 -","- C36 H60 B4 F16 N24 -","4","0.5","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.0844","0.0628","","","0.1506","0.1569","","","","","","1.574","","","","has coordinates","263694","2021-04-05","14:22:18",""
"1560372","7.1669","0.0008","9.7427","0.0014","11.6885","0.0015","90.304","0.004","91.835","0.006","105.407","0.004","786.33","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 B2 F8 N6 -","- C9 H16 B2 F8 N6 -","- C18 H32 B4 F16 N12 -","2","1","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.0418","0.0327","","","0.0779","0.0827","","","","","","1.018","","","","has coordinates","263694","2021-04-05","14:22:19",""
"1560373","10.15","0.02","11.83","0.03","15.93","0.04","97.92","0.09","92.65","0.07","102.91","0.07","1841","8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 B4 F16 N14 -","- C22 H34 B4 F16 N14 -","- C44 H68 B8 F32 N28 -","2","1","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.0666","0.0465","","","0.1137","0.136","","","","","","1.1245","","","","has coordinates","263694","2021-04-05","14:22:19",""
"1560374","11.052","0.003","14.637","0.004","21.244","0.005","85.032","0.007","81.796","0.008","77.855","0.007","3319.6","1.5","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H57 Ag4 B4 F15.987 N27 -","- C42 H57 Ag4 B4 F15.9867 N27 -","- C84 H114 Ag8 B8 F31.9733 N54 -","2","1","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.085","0.0571","","","0.1046","0.1146","","","","","","1.0461","","","","has coordinates,has disorder","263694","2021-04-05","14:22:19",""
"1560499","9.4132","0.0009","16.3463","0.0012","31.8","0.003","90","","91.407","0.003","90","","4891.6","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H43 Cl3 N6 Ni -","- C57 H43 Cl3 N6 Ni -","- C228 H172 Cl12 N24 Ni4 -","4","1","","Abid, Seifallah; Gisbert, Yohan; Kojima, Mitsuru; Saffon-Merceron, Nathalie; Cuny, Jérôme; Kammerer, Claire; Rapenne, Gwénaël","Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors","Chemical Science","2021","12","13","4709","4721","10.1039/D0SC06379G","","","0.71073","MoKα","","0.1321","0.0667","","","0.1487","0.1852","","","","","","1.03","","","","has coordinates,has disorder","265917","2021-06-05","17:55:23",""
"1560500","16.1291","0.0006","19.1492","0.0007","24.8626","0.001","75.72","0.003","89.677","0.003","66.509","0.003","6787.8","0.5","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C127 H101 B Br4 N12 Ni Ru S3 -","- C127 H101 B Br4 N12 Ni Ru S3 -","- C254 H202 B2 Br8 N24 Ni2 Ru2 S6 -","2","1","","Abid, Seifallah; Gisbert, Yohan; Kojima, Mitsuru; Saffon-Merceron, Nathalie; Cuny, Jérôme; Kammerer, Claire; Rapenne, Gwénaël","Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors","Chemical Science","2021","12","13","4709","4721","10.1039/D0SC06379G","","","1.54178","CuKα","","0.1019","0.0587","","","0.1477","0.1733","","","","","","0.976","","","","has coordinates,has disorder","265917","2021-06-05","17:55:24",""
"1560501","9.15691","0.00007","16.71291","0.00019","17.53844","0.00017","90","","90","","90","","2684.06","0.05","294.15","","294.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Br O3 P -","- C28 H36 Br O3 P -","- C112 H144 Br4 O12 P4 -","4","1","","Huang, Qiu-Hong; Zhou, Qian-Yi; Yang, Chen; Chen, Li; Cheng, Jin-Pei; Li, Xin","Access to P-stereogenic compounds via desymmetrizing enantioselective bromination","Chemical Science","2021","12","12","4582","4587","10.1039/D0SC07008D","","x-ray","1.54184","CuKα","","0.0398","0.0381","","","0.1076","0.1094","","","","","","1.039","","","","has coordinates,has disorder","263708","2021-04-05","14:28:16",""
"1560502","8.9798","0.0001","11.0389","0.0001","17.2809","0.0001","90","","90","","90","","1713.01","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","","1.54184","CuKα","","0.0248","0.0246","","","0.064","0.0641","","","","","","1.092","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560503","9.1038","0.0003","11.1728","0.0004","17.3015","0.0006","90","","90","","90","","1759.82","0.11","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","","1.54178","CuKα","","0.0304","0.0296","","","0.0838","0.085","","","","","","1.01","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560504","7.4407","0.0001","11.6989","0.0001","28.3425","0.0002","90","","90","","90","","2467.16","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 Cl2 O5 -","- C26 H32 Cl2 O5 -","- C104 H128 Cl8 O20 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","x-ray","1.54184","CuKα","","0.0289","0.0286","","","0.0746","0.0748","","","","","","1.074","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560527","11.3287","0.0004","11.3287","0.0004","29.3678","0.0014","90","","90","","120","","3264.1","0.2","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C40 H52 B20 -","- C40 H52 B20 -","- C120 H156 B60 -","3","0.5","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0555","0.0514","","","0.123","0.1259","","","","","","1.077","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560528","33.909","0.003","13.6784","0.0011","13.6791","0.0011","90","","108.58","0.002","90","","6014","0.9","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 B20 Cl2 -","- C18 H38 B20 Cl2 -","- C144 H304 B160 Cl16 -","8","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1174","0.0692","","","0.1802","0.2243","","","","","","1.017","","","","has coordinates,has disorder","265935","2021-06-05","18:02:40",""
"1560529","11.7538","0.0005","12.8616","0.0006","21.8976","0.0009","90","","90","","90","","3310.3","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H46 B20 Cl2 -","- C22 H46 B20 Cl2 -","- C88 H184 B80 Cl8 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0477","0.0378","","","0.1002","0.1081","","","","","","1.045","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560530","11.4361","0.0006","19.1205","0.001","21.4742","0.0009","90","","94.001","0.0014","90","","4684.2","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 B20 -","- C44 H60 B20 -","- C176 H240 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.067","0.0526","","","0.1472","0.1633","","","","","","1.04","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560531","13.3453","0.0007","16.5248","0.0007","18.4539","0.0009","82.5401","0.0013","78.3148","0.0014","83.5363","0.0014","3935.9","0.3","285","2","285","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H54.5 B20 O0.25 -","- C27 H54.5 B20 O0.25 -","- C108 H218 B80 O -","4","2","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1066","0.0746","","","0.2134","0.245","","","","","","1.029","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560532","24.2513","0.001","10.403","0.0004","18.2107","0.0007","90","","120.094","0.0011","90","","3975","0.3","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 B20 -","- C30 H60 B20 -","- C120 H240 B80 -","4","0.5","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0945","0.0833","","","0.2454","0.2604","","","","","","1.046","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560533","10.3911","0.0005","13.0014","0.0006","24.381","0.0011","90","","90","","90","","3293.8","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H48 B20 -","- C22 H48 B20 -","- C88 H192 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0513","0.0437","","","0.1131","0.1194","","","","","","1.092","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560534","13.3754","0.0013","13.4901","0.0013","19.9071","0.0019","90","","91.104","0.003","90","","3591.3","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 B20 -","- C26 H56 B20 -","- C104 H224 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0864","0.0705","","","0.1674","0.1781","","","","","","1.114","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560535","13.2519","0.0006","11.98","0.0005","21.8685","0.001","90","","105.683","0.0014","90","","3342.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 B20 -","- C24 H54 B20 -","- C96 H216 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0877","0.0582","","","0.1492","0.1737","","","","","","1.037","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560536","11.326","0.002","12.468","0.002","15.493","0.003","108.096","0.005","95.522","0.005","104.001","0.005","1982.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H62 B20 Si2 -","- C26 H62 B20 Si2 -","- C52 H124 B40 Si4 -","2","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1178","0.0914","","","0.2006","0.2156","","","","","","1.117","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560537","11.6972","0.0006","13.3199","0.0007","15.5282","0.0008","75.8963","0.0014","79.1092","0.0015","66.3809","0.0014","2138.51","0.19","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H59 B20 -","- C38 H59 B20 -","- C76 H118 B40 -","2","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0661","0.0577","","","0.1624","0.174","","","","","","1.033","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560538","11.0591","0.0006","17.981","0.001","17.9274","0.0009","90","","92.3086","0.0015","90","","3562","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H48 B20 -","- C27 H48 B20 -","- C108 H192 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1622","0.0929","","","0.2427","0.3175","","","","","","1.031","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560539","11.1066","0.0008","27.939","0.002","12.8423","0.0009","90","","90.244","0.002","90","","3985","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B10 -","- C14 H30 B10 -","- C112 H240 B80 -","8","2","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1124","0.0945","","","0.2125","0.2237","","","","","","1.166","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560599","25.7763","0.0005","25.7763","0.0005","17.9852","0.0004","90","","90","","120","","10348.7","0.4","149.99","0.14","149.99","0.14","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H18 N4 S -","- C30 H18 N4 S -","- C540 H324 N72 S18 -","18","1","","Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo","Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%","Chemical Science","2021","12","14","5171","5176","10.1039/D1SC00272D","","x-ray","1.54184","CuKα","","0.0462","0.041","","","0.1044","0.1108","","","","","","1.032","","","","has coordinates","265925","2021-06-05","17:57:40",""
"1560600","10.6634","0.0007","10.9432","0.0006","18.341","0.001","88.604","0.005","83.994","0.005","82.942","0.005","2112.2","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H52 Cl2 N4 S -","- C47 H52 Cl2 N4 S -","- C94 H104 Cl4 N8 S2 -","2","1","","Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo","Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%","Chemical Science","2021","12","14","5171","5176","10.1039/D1SC00272D","","x-ray","1.54184","CuKα","","0.0865","0.0664","","","0.1719","0.1938","","","","","","1.023","","","","has coordinates","265925","2021-06-05","17:57:41",""
"1560601","12.041","0.0011","15.9608","0.0015","16.4529","0.0014","114.757","0.004","104.294","0.004","93.279","0.005","2735.8","0.4","207","2","207","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H72 N4 S -","- C64 H72 N4 S -","- C128 H144 N8 S2 -","2","1","","Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo","Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%","Chemical Science","2021","12","14","5171","5176","10.1039/D1SC00272D","","","0.71073","MoKα","","0.1862","0.1335","","","0.3389","0.3664","","","","","","1.041","","","","has coordinates","265925","2021-06-05","17:57:41",""
"1560602","9.9631","0.0003","9.1494","0.0002","13.3605","0.0004","90","","102.001","0.003","90","","1191.28","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H23 F O5 -","- C29 H23 F O5 -","- C58 H46 F2 O10 -","2","1","","Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis","Chemical Science","2021","12","13","4819","4824","10.1039/D1SC00158B","","x-ray","1.54184","CuKα","","0.0508","0.0475","","","0.1143","0.1168","","","","","","1.022","","","","has coordinates","265916","2021-06-05","17:54:50",""
"1560603","7.3867","0.0002","19.0785","0.0005","9.3357","0.0002","90","","111.972","0.003","90","","1220.09","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F O2 -","- C15 H15 F O2 -","- C60 H60 F4 O8 -","4","1","","Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis","Chemical Science","2021","12","13","4819","4824","10.1039/D1SC00158B","","x-ray","1.54184","CuKα","","0.0467","0.0415","","","0.1056","0.1096","","","","","","1.091","","","","has coordinates","265916","2021-06-05","17:54:55",""
"1560604","12.28538","0.00014","20.3181","0.0002","8.91344","0.0001","90","","99.0372","0.0011","90","","2197.31","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F N O4 -","- C28 H20 F N O4 -","- C112 H80 F4 N4 O16 -","4","1","","Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis","Chemical Science","2021","12","13","4819","4824","10.1039/D1SC00158B","","x-ray","1.54184","CuKα","","0.0394","0.0356","","","0.0915","0.0947","","","","","","1.057","","","","has coordinates","265916","2021-06-05","17:55:06",""
"1560605","9.6802","0.0007","11.1157","0.0008","19.9995","0.0015","74.62","0.001","88.918","0.001","78.973","0.002","2035.5","0.3","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 Cl2 Na O6 -","- C44 H49 Cl2 Na O6 -","- C88 H98 Cl4 Na2 O12 -","2","1","","Wang, Xinya; Wang, Xiaohua; Zhen, Nuo; Gu, Jin; Zhang, Hao; Dong, Bo; Wang, Feng; Liu, Heng","Sodium complexes bearing cavity-like conformations: a highly active and well-controlled catalytic system for macrolactone homo- and copolymerization","Polymer Chemistry","2021","12","13","1957","1966","10.1039/D0PY01580F","","","0.71073","MoKα","","0.1467","0.0899","","","0.2331","0.2782","","","","","","1.053","","","","has coordinates","264966","2021-05-05","09:07:54",""
"1560621","9.2156","0.0002","20.0257","0.0006","21.5606","0.0006","114.68","0.003","94.469","0.002","98.787","0.002","3528.32","0.19","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C56.08 H50 Cl12.16 N4 Ni Sb -","- C56.054 H50 Cl12.105 N4 Ni Sb0.9995 -","- C112.108 H100 Cl24.21 N8 Ni2 Sb1.999 -","2","1","","Miyagawa, Kazuya; Hisaki, Ichiro; Fukui, Norihito; Shinokubo, Hiroshi","Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused diporphyrin","Chemical Science","2021","12","14","5224","5229","10.1039/D1SC00438G","","","0.71075","MoKα","","0.2397","0.1965","","","0.5232","0.5915","","","","","","1.104","","","","has coordinates,has disorder","265922","2021-06-05","17:56:46",""
"1560622","21.0654","0.0006","22.4572","0.0006","25.0542","0.0007","104.279","0.002","98.423","0.002","111.649","0.002","10298.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C254 H248 N16 Ni4 -","- C254 H248 N16 Ni4 -","- C508 H496 N32 Ni8 -","2","1","","Miyagawa, Kazuya; Hisaki, Ichiro; Fukui, Norihito; Shinokubo, Hiroshi","Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused diporphyrin","Chemical Science","2021","12","14","5224","5229","10.1039/D1SC00438G","","","0.81104","synchrotron","","0.1376","0.0926","","","0.2561","0.2855","","","","","","1.061","","","","has coordinates","265922","2021-06-05","17:56:46",""
"1560717","14.8018","0.0004","16.4349","0.0004","19.1348","0.0005","90","","102.494","0.001","90","","4544.6","0.2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H29 N9 Ni O0.5 S2 -","- C17.5 H29 N9 Ni O0.5 S2 -","- C140 H232 N72 Ni8 O4 S16 -","8","2","","Rubín-Osanz, Marcos; Lambert, François; Shao, Feng; Rivière, Eric; Guillot, Régis; Suaud, Nicolas; Guihéry, Nathalie; Zueco, David; Barra, Anne-Laure; Mallah, Talal; Luis, Fernando","Chemical tuning of spin clock transitions in molecular monomers based on nuclear spin-free Ni(ii)","Chemical Science","2021","12","14","5123","5133","10.1039/D0SC05856D","","","0.71073","MoKα","","0.0487","0.0368","","","0.0975","0.1085","","","","","","1.06","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1560718","10.2559","0.0003","15.7584","0.0005","16.1989","0.0006","67.534","0.001","71.56","0.001","75.75","0.001","2271.55","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Cl6 N8 S6 -","- C38 H38 Cl6 N8 S6 -","- C76 H76 Cl12 N16 S12 -","2","1","","Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.","Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages","Chemical Science","2021","12","14","5315","5318","10.1039/D1SC00440A","","","1.54178","CuKα","","0.0533","0.0505","","","0.139","0.1418","","","","","","1.064","","","","has coordinates","265924","2021-06-05","17:57:18",""
"1560719","12.8314","0.0003","15.7916","0.0003","21.178","0.0005","90","","92.517","0.001","90","","4287.12","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 N8 S6 -","- C45 H45 N8 S6 -","- C180 H180 N32 S24 -","4","1","","Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.","Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages","Chemical Science","2021","12","14","5315","5318","10.1039/D1SC00440A","","","1.54178","CuKα","","0.0441","0.0341","","","0.0693","0.0758","","","","","","1.045","","","","has coordinates","265924","2021-06-05","17:57:18",""
"1560720","14.1011","0.0009","14.1412","0.0008","41.847","0.003","90","","90","","90","","8344.6","0.9","120.72","","120.72","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H48 N8 S6 -","- C42 H48 N8 S6 -","- C336 H384 N64 S48 -","8","2","","Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.","Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages","Chemical Science","2021","12","14","5315","5318","10.1039/D1SC00440A","","","1.54178","CuKα","","0.0839","0.0699","","","0.1598","0.1666","","","","","","1.027","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1560726","9.1493","0.0014","10.1833","0.0015","13.22","0.002","90","","108.244","0.003","90","","1169.8","0.3","100","2","99.98","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","bis(N,N-dimetylformamide)-perchlorato sodium","","- C6 H14 Cl N2 Na O6 -","- C6 H14 Cl N2 Na O6 -","- C24 H56 Cl4 N8 Na4 O24 -","4","1","","Prakash, Prabhat; Ardhra, Shylendran; Fall, Birane; Zdilla, Michael J.; Wunder, Stephanie L.; Venkatnathan, Arun","Solvate sponge crystals of (DMF)3NaClO4: reversible pressure/temperature controlled juicing in a melt/press-castable sodium-ion conductor","Chemical Science","2021","12","15","5574","5581","10.1039/D0SC06455F","","","0.71073","MoKα","","0.0414","0.032","","","0.0816","0.0869","","","","","","1.059","","","","has coordinates","265934","2021-06-05","18:01:53",""
"1560727","31.1965","0.0006","18.5947","0.0003","28.7563","0.0006","90","","110.013","0.002","90","","15673.9","0.5","100","2","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C130 H93 Br4 Co F12 N27 Ni4 O12 S4 -","- C130 H93 Br4 Co F12 N27 Ni4 O12 S4 -","- C520 H372 Br16 Co4 F48 N108 Ni16 O48 S16 -","4","1","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","0.71075","MoKα","","0.112","0.0744","","","0.1485","0.1673","","","","","","1.025","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560728","31.8614","0.0003","20.267","0.0002","26.4739","0.0003","90","","114.773","0.001","90","","15521.9","0.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C154 H126 Cl4 F18 N38 Ni5 O18 S6 -","- C138 H102 Cl4 F18 N30 Ni5 O18 S6 -","- C552 H408 Cl16 F72 N120 Ni20 O72 S24 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","","0.6889","","","0.1396","0.1274","","","0.368","0.3778","","","","","","3.07","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560729","32.5915","0.0013","19.6893","0.0007","26.8651","0.0012","90","","116.807","0.003","90","","15386.7","1.1","100","","100","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C126 H84 Cl4 F18 Mn N24 Ni4 O18 S6 -","- C126 H84 Cl4 F18 Mn N24 Ni4 O18 S6 -","- C504 H336 Cl16 F72 Mn4 N96 Ni16 O72 S24 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","","0.6889","","","0.2527","0.2397","","","0.5481","0.566","","","","","","5.029","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560730","31.3026","0.0003","20.566","0.0002","26.4213","0.0003","90","","112.812","0.001","90","","15678.8","0.3","120","","120","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C147.5 H124 Br2 F24 Fe0.5 N24 Ni4 O29 S7.5 -","- C147.5 H124 Br2 F24 Fe0.5 N24 Ni4 O29 S7.5 -","- C590 H496 Br8 F96 Fe2 N96 Ni16 O116 S30 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","0.71073","MoKα","","0.082","0.0729","","","0.2032","0.2106","","","","","","1.068","","","","has coordinates,has disorder","265928","2021-06-05","17:59:51",""
"1560731","33.6581","0.0008","19.3004","0.0005","27.7984","0.0009","90","","119.638","0.002","90","","15695.6","0.8","120","","120","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C126 H84 Br4 Cu F18 N24 Ni4 O18 S6 -","- C126 H84 Br4 Cu F18 N24 Ni4 O18 S6 -","- C504 H336 Br16 Cu4 F72 N96 Ni16 O72 S24 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","","0.6889","","","0.1669","0.1602","","","0.4648","0.478","","","","","","2.397","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560732","31.7631","0.0004","20.376","0.0003","26.2656","0.0004","90","","114.263","0.0018","90","","15497.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H88 F24 N26 Ni4 O24 S8 -","- C132 H90 F24 N26 Ni4 O24 S8 -","- C528 H360 F96 N104 Ni16 O96 S32 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","1.54184","CuKα","","0.1329","0.1227","","","0.3605","0.3786","","","","","","1.696","","","","has coordinates,has disorder","265928","2021-06-05","17:59:51",""
"1560733","31.6627","0.0005","20.3859","0.0002","26.5585","0.0004","90","","114.491","0.002","90","","15600.4","0.4","120","","120","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C151 H120 Cl4 F21 Fe N36 Ni4 O21 S7 -","- C131 H90 Cl4 F21 Fe N26 Ni4 O21 S7 -","- C524 H360 Cl16 F84 Fe4 N104 Ni16 O84 S28 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","0.71073","MoKα","","0.0749","0.0655","","","0.1774","0.1864","","","","","","1.042","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560734","20.4016","0.0003","29.7181","0.0006","26.8106","0.0006","90","","91.1568","0.0018","90","","16251.9","0.5","250","0.1","250","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C138 H105 Cl4 Co F18 N28 Ni4 O19 S6 -","- C138 H104 Cl4 Co F18 N28 Ni4 O19 S6 -","- C552 H416 Cl16 Co4 F72 N112 Ni16 O76 S24 -","4","1","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","1.54184","CuKα","","0.1392","0.1312","","","0.3722","0.3828","","","","","","1.712","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560749","11.2686","0.0006","12.7447","0.0003","21.7296","0.0012","89.265","0.003","88.319","0.004","83.122","0.003","3096.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H65 Dy O P4 S4 -","- C68 H65 Dy O P4 S4 -","- C136 H130 Dy2 O2 P8 S8 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.0764","0.055","","","0.1124","0.1212","","","","","","1.034","","","","has coordinates","263703","2021-04-05","14:27:31",""
"1560750","10.8536","0.0006","22.5853","0.001","21.0093","0.0011","90","","99.013","0.006","90","","5086.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H49 O P4 S4 Y -","- C54 H49 O P4 S4 Y -","- C216 H196 O4 P16 S16 Y4 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1213","0.0705","","","0.0968","0.1114","","","","","","1.032","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560751","13.521","0.0002","20.9074","0.0003","22.2017","0.0003","71.645","0.001","79.408","0.001","84.373","0.001","5849.94","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H120 Dy2 K2 O8 P8 S8 -","- C116 H120 Dy2 K2 O8 P8 S8 -","- C232 H240 Dy4 K4 O16 P16 S16 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","1.54184","CuKα","","0.1011","0.0857","","","0.2275","0.2482","","","","","","1.065","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560752","11.9072","0.0004","12.5346","0.0005","26.216","0.0011","81.43","0.003","83.556","0.003","84.318","0.003","3831.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H92 K N2 O8 P4 S4 Y -","- C76 H92 K N2 O8 P4 S4 Y -","- C152 H184 K2 N4 O16 P8 S8 Y2 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.111","0.0772","","","0.2023","0.2608","","","","","","1.026","","","","has coordinates,has disorder","263703","2021-04-05","14:27:32",""
"1560753","13.4728","0.0004","20.8633","0.0005","22.1735","0.0004","71.523","0.002","79.315","0.002","84.386","0.002","5803.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H120 K2 O8 P8 S8 Y2 -","- C116 H120 K2 O8 P8 S8 Y2 -","- C232 H240 K4 O16 P16 S16 Y4 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1035","0.0682","","","0.1374","0.1486","","","","","","1.064","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560754","13.23949","0.00014","23.5137","0.0003","30.0645","0.0004","90","","97.5329","0.0011","90","","9278.6","0.2","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C93 H116 Dy K N4 O7 P4 Si4 -","- C93 H116 Dy K N4 O7 P4 Si4 -","- C372 H464 Dy4 K4 N16 O28 P16 Si16 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","1.54184","CuKα","","0.0523","0.0484","","","0.1279","0.1329","","","","","","1.035","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560755","14.1523","0.0004","30.8391","0.0009","15.6028","0.0005","90","","110.56","0.004","90","","6376","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 Dy Na O6 P4 S4 -","- C62 H70 Dy Na O6 P4 S4 -","- C248 H280 Dy4 Na4 O24 P16 S16 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.0742","0.0459","","","0.0637","0.0709","","","","","","1.024","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560756","14.1998","0.0004","30.9404","0.0006","15.6211","0.0005","90","","110.508","0.003","90","","6428.1","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 Gd Na O6 P4 S4 -","- C62 H70 Gd Na O6 P4 S4 -","- C248 H280 Gd4 Na4 O24 P16 S16 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1113","0.0589","","","0.1265","0.152","","","","","","1.023","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560757","15.0677","0.0003","15.8625","0.0004","17.3285","0.0003","97.435","0.002","91.979","0.002","116.19","0.002","3665.66","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H84 Dy K N2 O7 P4 S4 -","- C72 H84 Dy K N2 O7 P4 S4 -","- C144 H168 Dy2 K2 N4 O14 P8 S8 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.0418","0.0377","","","0.1013","0.103","","","","","","1.075","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560758","14.155","0.0004","30.9664","0.0006","15.632","0.0005","90","","110.731","0.003","90","","6408.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 Na O6 P4 S4 Y -","- C62 H70 Na O6 P4 S4 Y -","- C248 H280 Na4 O24 P16 S16 Y4 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1099","0.0588","","","0.0934","0.1104","","","","","","1.034","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560759","17.9432","0.0006","15.8649","0.0005","21.6563","0.0007","90","","114.273","0.001","90","","5619.8","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AR89","","","- C26 H24 F6 N2 O6 Pd2 -","- C26 H24 F6 N2 O6 Pd2 -","- C208 H192 F48 N16 O48 Pd16 -","8","2","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.0791","0.0519","","","0.1173","0.1337","","","","","","1.06","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560760","37.712","0.006","13.024","0.002","15.254","0.003","90","","90","","90","","7492","2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","MA28","","","- C35 H30 F6 N2 O7 Pd2 -","- C35 H30 F6 N2 O7 Pd2 -","- C280 H240 F48 N16 O56 Pd16 -","8","0.5","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.1065","0.0512","","","0.1106","0.1377","","","","","","1.099","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560761","19.2535","0.0007","8.0799","0.0004","21.9245","0.001","90","","93.765","0.002","90","","3403.4","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MA3","","","- C33 H26 F6 N2 O7 Pd2 -","- C33 H26 F6 N2 O7 Pd2 -","- C132 H104 F24 N8 O28 Pd8 -","4","1","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.0609","0.0509","","","0.1253","0.1322","","","","","","1.124","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560762","32.598","0.004","12.5843","0.0011","22.685","0.003","90","","128.447","0.003","90","","7288.2","1.5","295","0.1","295","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MA7","","","- C34 H26 F6 N2 O8 Pd2 -","- C34 H26 F6 N2 O8 Pd2 -","- C272 H208 F48 N16 O64 Pd16 -","8","1","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.1101","0.0677","","","0.1853","0.224","","","","","","1.047","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560763","37.337","0.011","13.419","0.004","15.197","0.005","90","","90","","90","","7614","4","299","0.1","299","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","MA34","","","- C37 H34 F6 N2 O7 Pd2 -","- C37 H34 F6 N2 O7 Pd2 -","- C296 H272 F48 N16 O56 Pd16 -","8","0.5","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.1352","0.056","","","0.1243","0.1726","","","","","","1.025","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560764","20.9754","0.0008","13.1973","0.0006","15.3039","0.0011","90","","125.008","0.001","90","","3469.9","0.3","295","0.1","295","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MA15","","","- C17 H14 F3 N O4 Pd -","- C17 H14 F3 N O4 Pd -","- C136 H112 F24 N8 O32 Pd8 -","8","1","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.0978","0.0504","","","0.0826","0.0952","","","","","","1.041","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560765","13.9636","0.0012","12.6503","0.0011","17.3356","0.0013","90","","103.979","0.003","90","","2971.5","0.4","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 N2 -","- C42 H26 N2 -","- C168 H104 N8 -","4","1","","Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications","Chemical Science","2021","12","15","5522","5533","10.1039/D0SC06895K","","x-ray","0.71073","MoKα","","0.0696","0.0494","","","0.1254","0.1429","","","","","","0.986","","","","has coordinates","265931","2021-06-05","18:00:32",""
"1560766","18.9074","0.0008","9.4843","0.0005","18.9118","0.0009","90","","97.294","0.002","90","","3363.9","0.3","150","","150","","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 N2 O4 -","- C42 H22 N2 O4 -","- C168 H88 N8 O16 -","4","0.5","","Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications","Chemical Science","2021","12","15","5522","5533","10.1039/D0SC06895K","","x-ray","0.71073","MoKα","","0.0809","0.063","","","0.175","0.1921","","","","","","0.999","","","","has coordinates","265931","2021-06-05","18:00:33",""
"1560767","14.6129","0.0006","14.6129","","29.4748","0.0015","90","","90","","90","","6294","0.4","150","","150","","","","","","","","synthesis as described","3","P 41 21 2","P 4abw 2nw","92","","","","- C44 H22 N2 -","- C44 H22 N2 -","- C352 H176 N16 -","8","1","","Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications","Chemical Science","2021","12","15","5522","5533","10.1039/D0SC06895K","","x-ray","0.71073","MoKα","","0.0532","0.0433","","","0.1012","0.1067","","","","","","1.036","","","","has coordinates","265931","2021-06-05","18:00:33",""
"1560812","19.262","0.0007","12.5345","0.0005","21.0985","0.0008","90","","110.846","0.002","90","","4760.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H160 B2 O8 -","- C100 H160 B2 O8 -","- C200 H320 B4 O16 -","2","0.5","","Congrave, Daniel G.; Drummond, Bluebell H.; Gray, Victor; Bond, Andrew D.; Rao, Akshay; Friend, Richard H.; Bronstein, Hugo","Suppressing aggregation induced quenching in anthracene based conjugated polymers","Polymer Chemistry","2021","12","12","1830","1836","10.1039/D1PY00118C","","","1.54178","CuKα","","0.1521","0.0983","","","0.262","0.3029","","","","","","1.033","","","","has coordinates","263861","2021-04-05","15:22:46",""
"1560813","9.8352","0.0005","9.3209","0.0004","11.4836","0.0006","90","","108.743","0.003","90","","996.91","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 N2 O -","- C10 H18 N2 O -","- C40 H72 N8 O4 -","4","1","","Wiesenfeldt, Mario P.; Moock, Daniel; Paul, Daniel; Glorius, Frank","Enantioselective hydrogenation of annulated arenes: controlled formation of multiple stereocenters in adjacent rings","Chemical Science","2021","12","15","5611","5615","10.1039/D0SC07099H","","","1.54178","CuKα","","0.0591","0.041","","","0.093","0.1017","","","","","","1.054","","","","has coordinates","265930","2021-06-05","18:00:19",""
"1560814","8.3482","0.0005","6.0629","0.0003","13.2849","0.0009","90","","106.642","0.002","90","","644.24","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H20 Cl2 N2 O -","- C10 H20 Cl2 N2 O -","- C20 H40 Cl4 N4 O2 -","2","1","","Wiesenfeldt, Mario P.; Moock, Daniel; Paul, Daniel; Glorius, Frank","Enantioselective hydrogenation of annulated arenes: controlled formation of multiple stereocenters in adjacent rings","Chemical Science","2021","12","15","5611","5615","10.1039/D0SC07099H","","","0.71073","MoKα","","0.0644","0.0577","","","0.1439","0.1517","","","","","","1.077","","","","has coordinates","265930","2021-06-05","18:00:19",""
"1560843","11","0.002","12.1","0.002","13.5","0.003","96","0.03","93","0.03","109","0.03","1682.5","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Cl Ge N P Si -","- C37 H39 Cl Ge N P Si -","- C74 H78 Cl2 Ge2 N2 P2 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0395","0.0318","","","0.0805","0.0855","","","","","","1.057","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560844","11.33","0.002","13.51","0.003","13.61","0.003","79.1","0.03","86.7","0.03","69.6","0.03","1917.3","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H45 Br Ge N P Si -","- C43 H45 Br Ge N P Si -","- C86 H90 Br2 Ge2 N2 P2 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0848","0.0513","","","0.1293","0.1598","","","","","","1.057","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560845","35.733","0.007","9.74","0.0019","17.97","0.004","90","","107.22","0.03","90","","5974","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H44 N P Si -","- C31 H44 N P Si -","- C248 H352 N8 P8 Si8 -","8","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.076","0.0489","","","0.1283","0.1441","","","","","","1.032","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560846","40.613","0.008","9.87","0.002","23.16","0.005","90","","101.59","0.03","90","","9094","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C74 H78 Br6 Ge2 N2 Ni2 P2 Si2 -","- C74 H78 Br6 Ge2 N2 Ni2 P2 Si2 -","- C296 H312 Br24 Ge8 N8 Ni8 P8 Si8 -","4","0.5","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0785","0.047","","","0.127","0.1402","","","","","","0.97","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560847","11.28","0.002","13.73","0.003","15.61","0.003","84.3","0.03","83.7","0.03","72.9","0.03","2291","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H63 K N2 O2 P Si -","- C48 H63 K N2 O2 P Si -","- C96 H126 K2 N4 O4 P2 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0886","0.0641","","","0.1764","0.1979","","","","","","1.009","","","","has coordinates,has disorder","265933","2021-06-05","18:01:42",""
"1560848","15.55","0.003","19.91","0.004","21.82","0.004","90","","95.6","0.03","90","","6723","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl Ge N P Si -","- C34 H46 Cl Ge N P Si -","- C272 H368 Cl8 Ge8 N8 P8 Si8 -","8","2","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.1437","0.057","","","0.0974","0.1237","","","","","","1.01","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560849","12.18","0.002","13.55","0.003","20.86","0.004","75.1","0.03","88.3","0.03","70.4","0.03","3128.1","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H71 Ge N2 Ni P3 Si -","- C73 H71 Ge N2 Ni P3 Si -","- C146 H142 Ge2 N4 Ni2 P6 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0582","0.0364","","","0.0831","0.0912","","","","","","1.016","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560850","11.11","0.002","17.26","0.004","18.29","0.004","65.1","0.03","88.4","0.03","85.3","0.03","3170.5","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H43 Br Ge N P Si -","- C31 H43 Br Ge N P Si -","- C124 H172 Br4 Ge4 N4 P4 Si4 -","4","2","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0804","0.0609","","","0.1787","0.1968","","","","","","1.057","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560851","12.68","0.003","15.53","0.003","19.47","0.004","98.6","0.03","92","0.03","91.3","0.03","3787.1","1.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H69 Br Ge N Ni P3 Si -","- C73 H69 Br Ge N Ni P3 Si -","- C146 H138 Br2 Ge2 N2 Ni2 P6 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0757","0.0531","","","0.1551","0.1658","","","","","","1.078","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560852","17.37","0.004","19.77","0.004","19.41","0.004","90","","102.7","0.03","90","","6502","3","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C71 H83 Cl Ge N Ni O P3 Si -","- C71 H83 Cl Ge N Ni O P3 Si -","- C284 H332 Cl4 Ge4 N4 Ni4 O4 P12 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0628","0.038","","","0.0932","0.1021","","","","","","1.035","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560853","17.43","0.004","19.84","0.004","19.41","0.004","90","","103.4","0.03","90","","6529","3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H84 Ge N Ni O2 P3 Si -","- C71 H84 Ge N Ni O2 P3 Si -","- C284 H336 Ge4 N4 Ni4 O8 P12 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.08","0.0454","","","0.1034","0.1189","","","","","","1.013","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560854","20.25","0.004","11.15","0.002","18.55","0.004","90","","94.5","0.03","90","","4175.4","1.4","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 Br2 Cl Ge N3 Ni P Si -","- C41 H44 Br2 Cl Ge N3 Ni P Si -","- C164 H176 Br8 Cl4 Ge4 N12 Ni4 P4 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0517","0.0352","","","0.0814","0.0907","","","","","","1.048","","","","has coordinates,has disorder","265933","2021-06-05","18:01:42",""
"1560855","12.16","0.002","13.52","0.003","20.8","0.004","75.4","0.03","89","0.03","70.9","0.03","3119.1","1.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C73 H69 Br0.19 Cl0.81 Ge N Ni P3 Si -","- C73 H69 Br0.191 Cl0.809 Ge N Ni P3 Si -","- C146 H138 Br0.382 Cl1.618 Ge2 N2 Ni2 P6 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0516","0.0336","","","0.0771","0.0834","","","","","","1.011","","","","has coordinates,has disorder","265933","2021-06-05","18:01:42",""
"1560856","17.68","0.004","19.18","0.004","20.65","0.004","90","","108.8","0.03","90","","6629","3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C77 H80 Ge N Ni O2 P3 Si -","- C77 H80 Ge N Ni O2 P3 Si -","- C308 H320 Ge4 N4 Ni4 O8 P12 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0935","0.0426","","","0.0892","0.1056","","","","","","0.939","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560857","11.25","0.002","17.78","0.004","20.52","0.004","88.3","0.03","75.7","0.03","73.3","0.03","3805.8","1.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H49 Cl Ge N O P Si -","- C41 H49 Cl Ge N O P Si -","- C164 H196 Cl4 Ge4 N4 O4 P4 Si4 -","4","2","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0923","0.0504","","","0.1136","0.1315","","","","","","1.007","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560858","33.2828","0.0003","33.2828","0.0003","33.2828","0.0003","90","","90","","90","","36868.8","0.6","100","0.4","100","4","","","","","","","","5","I m -3 m","-I 4 2 3","229","","ST-sod-Co","","- C30 H17 Co3 N4 O14 -","- C30 H14 Co3 N4 O14 -","- C720 H336 Co72 N96 O336 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","","1.54184","CuKα","","0.0983","0.0759","","","0.2216","0.2401","","","","","","1.055","","","","has coordinates","265914","2021-06-05","17:54:09",""
"1560859","32.9754","0.0001","32.9754","0.0001","32.9754","0.0001","90","","90","","90","","35856.7","0.19","104.5","0.7","104.5","0.7","","","","","","","","5","I m -3 m","-I 4 2 3","229","","ST-sod-Ni","","- C30 H17 N4 Ni3 O14 -","- C25.152 H12.768 N2.808 Ni3 O14 -","- C603.648 H306.432 N67.392 Ni72 O336 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","x-ray","1.3405","GaKα","","0.0656","0.0629","","","0.1774","0.1802","","","","","","1.038","","","","has coordinates,has disorder","265914","2021-06-05","17:54:10",""
"1560860","33.2244","0.0002","33.2244","0.0002","33.2244","0.0002","90","","90","","90","","36675.1","0.4","105","2","105","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","ST-sod-Co/Ti","","- C30 H17 Co2 N4 O14 Ti -","- C30 H12.328 Co2 N4 O14 Ti -","- C720 H295.872 Co48 N96 O336 Ti24 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","","1.3405","GaKα","","0.059","0.0536","","","0.1623","0.1679","","","","","","1.058","","","","has coordinates,has disorder","265914","2021-06-05","17:54:10",""
"1560984","31.9058","0.0006","17.2344","0.0003","20.9913","0.0004","90","","102.315","0.001","90","","11277","0.4","130","","130","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C119 H109.1 N12 O23 -","- C119 H109.1 N12 O23 -","- C476 H436.4 N48 O92 -","4","1","","Huang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; Cohen, Gabriel; Mannancherry, Rajesh; Vauthey, Eric; Coskun, Ali; Šolomek, Tomáš","Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescence","Chemical Science","2021","12","14","5275","5285","10.1039/D1SC00347J","","x-ray","1.34143","GaKα","","0.0984","0.0879","","","0.2449","0.2617","","","","","","1.083","","","","has coordinates,has disorder","265926","2021-06-05","17:57:57",""
"1560985","31.8864","0.0019","17.2148","0.001","20.9689","0.0012","90","","102.403","0.003","90","","11241.6","1.1","130","","130","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C115.5 H108.1 N17 O23.2 -","- C115.5 H108.1 N17 O23.2 -","- C462 H432.4 N68 O92.8 -","4","1","","Huang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; Cohen, Gabriel; Mannancherry, Rajesh; Vauthey, Eric; Coskun, Ali; Šolomek, Tomáš","Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescence","Chemical Science","2021","12","14","5275","5285","10.1039/D1SC00347J","","x-ray","1.54178","CuKα","","0.0746","0.0713","","","0.2088","0.2145","","","","","","1.053","","","","has coordinates,has disorder","265926","2021-06-05","17:57:58",""
"1561006","19.6026","0.0009","9.2014","0.0009","11.0368","0.0003","90","","99.434","0.003","90","","1963.8","0.2","293","2","293","2","","","500000","","","","","5","C 1 2/c 1","-C 2yc","15","CUK-1(Co)","CUK-1(Co) MOF","","- C14 H8 Co3 N2 O10 -","- C14 H8 Co3 N2 O10 -","- C56 H32 Co12 N8 O40 -","4","0.5","","Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G.","Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring","Chemical Science","2021","12","15","5682","5687","10.1039/D1SC00205H","","x-ray","0.5137","synchrotron","","0.0598","0.0549","","","0.16","0.1657","","","","","","1.118","","","","has coordinates","265932","2021-06-05","18:00:52",""
"1561007","18.974","0.003","11.0427","0.0015","10.9677","0.0006","90","","100.796","0.009","90","","2257.3","0.5","293","2","293","2","","","300000","","","","","5","C 1 2/c 1","-C 2yc","15","CUK-1(Co)","CUK-1(Co) MOF","","- C14 H8 Co3 N2 O10 -","- C14 H8 Co3 N2 O10 -","- C56 H32 Co12 N8 O40 -","4","0.5","","Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G.","Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring","Chemical Science","2021","12","15","5682","5687","10.1039/D1SC00205H","","x-ray","0.5137","synchrotron","","0.059","0.0522","","","0.1394","0.149","","","","","","1.063","","","","has coordinates","265932","2021-06-05","18:00:52",""
"1561008","19.6011","0.0009","9.2018","0.0009","11.036","0.0004","90","","99.435","0.003","90","","1963.6","0.2","293","2","293","2","","","680000","","","","","5","C 1 2/c 1","-C 2yc","15","CUK-1(Co)","CUK-1(Co) MOF","","- C14 H8 Co3 N2 O10 -","- C14 H8 Co3 N2 O10 -","- C56 H32 Co12 N8 O40 -","4","0.5","","Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G.","Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring","Chemical Science","2021","12","15","5682","5687","10.1039/D1SC00205H","","x-ray","0.5137","synchrotron","","0.0677","0.061","","","0.1971","0.2079","","","","","","1.204","","","","has coordinates","265932","2021-06-05","18:00:52",""
"1561009","7.4765","0.0001","14.1513","0.0003","15.0795","0.0004","115.507","0.003","99.363","0.002","99.595","0.002","1369.63","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C6 N3 O27 P6 Zn3 -","- C6 N3 O27 P6 Zn3 -","- C12 N6 O54 P12 Zn6 -","2","1","","Ma, Nattapol; Kosasang, Soracha; Yoshida, Atsushi; Horike, Satoshi","Proton-conductive coordination polymer glass for solid-state anhydrous proton batteries","Chemical Science","2021","12","16","5818","5824","10.1039/D1SC00392E","","x-ray","0.71073","MoKα","","0.0329","0.0311","","","0.0843","0.0851","","","","","","1.135","","","","has coordinates","265912","2021-06-05","17:52:48",""
"1561085","16.902","0.0007","9.4331","0.0005","15.2863","0.0007","90","","113.371","0.003","90","","2237.26","0.19","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C27 H29 B O -","- C27 H29 B O -","- C108 H116 B4 O4 -","4","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0653","0.0551","","","0.1371","0.1435","","","","","","1.105","","","","has coordinates","264892","2021-05-05","08:24:45",""
"1561086","9.3999","0.0004","11.8608","0.0007","20.7807","0.0009","90","","90","","90","","2316.8","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 B N -","- C28 H32 B N -","- C112 H128 B4 N4 -","4","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0718","0.0662","","","0.1517","0.1551","","","","","","1.249","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561087","7.9871","0.0013","4.6704","0.0005","16.324","0.003","90","","101.395","0.012","90","","596.93","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B2 O2 -","- C16 H10 B2 O2 -","- C32 H20 B4 O4 -","2","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1371","0.1063","","","0.1676","0.1783","","","","","","1.342","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561088","33.3265","0.0016","6.9745","0.0002","23.9282","0.0012","90","","125.567","0.003","90","","4524.1","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 B2 O3 -","- C51 H58 B2 O3 -","- C204 H232 B8 O12 -","4","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0793","0.0654","","","0.166","0.1751","","","","","","1.048","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561089","19.5614","0.0014","19.5614","0.0014","6.7125","0.0005","90","","90","","90","","2568.5","0.3","173","2","173","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H32 B4 O6 -","- C28 H32 B4 O6 -","- C112 H128 B16 O24 -","4","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1878","0.1169","","","0.1815","0.214","","","","","","1.265","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561090","12.8766","0.0008","14.0599","0.0009","15.4098","0.001","96.874","0.005","102.28","0.005","90.643","0.005","2704.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32.5 H34.5 B O -","- C32.5 H34.5 B O -","- C130 H138 B4 O4 -","4","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1208","0.0862","","","0.1754","0.1902","","","","","","1.149","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561091","35.674","0.002","10.716","0.0005","29.67","0.002","90","","98.307","0.005","90","","11223.3","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 B F3 O2 -","- C31 H30 B F3 O2 -","- C496 H480 B16 F48 O32 -","16","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1687","0.0693","","","0.1476","0.1857","","","","","","1.001","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561092","19.2423","0.0012","10.9228","0.0005","26.3907","0.0012","90","","90","","90","","5546.8","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Br F3 -","- C31 H28 Br F3 -","- C248 H224 Br8 F24 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0974","0.0605","","","0.1241","0.1388","","","","","","1.062","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561093","32.1592","0.0013","9.1287","0.0002","24.8768","0.001","90","","112.858","0.003","90","","6729.6","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H42 B F3 O2 -","- C37 H42 B F3 O2 -","- C296 H336 B8 F24 O16 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0647","0.0527","","","0.1239","0.1303","","","","","","1.105","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561094","14.4318","0.0018","9.4346","0.0018","19.482","0.002","90","","91.219","0.009","90","","2652","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B N -","- C32 H34 B N -","- C128 H136 B4 N4 -","4","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.2386","0.1032","","","0.1848","0.2519","","","","","","1.032","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561095","8.5512","0.0009","11.0326","0.001","12.6835","0.0012","67.901","0.007","89.033","0.008","67.825","0.007","1015.7","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 B2 O2 -","- C48 H52 B2 O2 -","- C48 H52 B2 O2 -","1","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0808","0.0592","","","0.1334","0.1425","","","","","","1.153","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561096","23.7421","0.0008","21.8444","0.0006","8.6139","0.0002","90","","90","","90","","4467.4","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H29 B O -","- C27 H29 B O -","- C216 H232 B8 O8 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0551","0.0451","","","0.1163","0.1255","","","","","","1.077","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561097","26.944","0.002","6.2564","0.0004","22.5176","0.0017","90","","113.082","0.006","90","","3492","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br -","- C22 H19 Br -","- C176 H152 Br8 -","8","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1299","0.0627","","","0.1509","0.1923","","","","","","0.984","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561098","6.7963","0.0003","15.0543","0.0008","20.4812","0.0011","90","","97.297","0.001","90","","2078.53","0.18","298","2","298.39","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Am N2 O11 -","- C10 H17 Am N2 O11 -","- C40 H68 Am4 N8 O44 -","4","1","","Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H.","Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry","Chemical Science","2021","12","15","5638","5654","10.1039/D1SC00233C","","","0.71073","MoKα","","0.0367","0.0284","","","0.0719","0.0749","","","","","","1.09","","","","has coordinates","264893","2021-05-05","08:25:02",""
"1561099","6.7801","0.0003","15.0056","0.0007","20.489","0.001","90","","97.24","0.001","90","","2067.92","0.17","298","2","298.06","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 Cm N2 O11 -","- C10 H25 Cm N2 O11 -","- C40 H100 Cm4 N8 O44 -","4","1","","Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H.","Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry","Chemical Science","2021","12","15","5638","5654","10.1039/D1SC00233C","","","0.71073","MoKα","","0.0289","0.0252","","","0.0638","0.0652","","","","","","1.171","","","","has coordinates","264893","2021-05-05","08:25:05",""
"1561100","6.7137","0.0004","14.8928","0.0008","20.2772","0.0012","90","","97.157","0.003","90","","2011.6","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Eu N2 O11 -","- C10 H17 Eu N2 O11 -","- C40 H68 Eu4 N8 O44 -","4","1","","Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H.","Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry","Chemical Science","2021","12","15","5638","5654","10.1039/D1SC00233C","","","0.71073","MoKα","","0.0716","0.0584","","","0.1198","0.1241","","","","","","1.181","","","","has coordinates","264893","2021-05-05","08:25:05",""
"1561101","9.0183","0.0015","10.8486","0.0018","22.331","0.003","90","","92.992","0.009","90","","2181.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 N4 O8 -","- C56 H46 N4 O8 -","- C112 H92 N8 O16 -","2","0.5","","Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando","Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit","Chemical Science","2021","12","15","5621","5630","10.1039/D1SC00564B","","","0.71073","MoKα","","0.066","0.0601","","","0.1536","0.1573","","","","","","1.132","","","","has coordinates,has disorder","265929","2021-06-05","18:00:11",""
"1561102","9.4036","0.0014","10.8957","0.0013","22.319","0.003","90","","90.524","0.013","90","","2286.7","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 N4 O8.5 Ti0.5 -","- C56 H45 N4 O8.5 Ti0.5 -","- C112 H90 N8 O17 Ti -","2","0.5","","Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando","Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit","Chemical Science","2021","12","15","5621","5630","10.1039/D1SC00564B","","","0.71073","MoKα","","0.1054","0.0672","","","0.1724","0.2071","","","","","","1.016","","","","has coordinates,has disorder","265929","2021-06-05","18:00:12",""
"1561103","9.3937","0.0006","10.8559","0.0006","22.317","0.002","90","","93.508","0.008","90","","2271.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 N4 O9 V -","- C56 H44 N4 O9 V -","- C112 H88 N8 O18 V2 -","2","0.5","","Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando","Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit","Chemical Science","2021","12","15","5621","5630","10.1039/D1SC00564B","","","0.71073","MoKα","","0.121","0.0895","","","0.2274","0.2496","","","","","","1.029","","","","has coordinates,has disorder","265929","2021-06-05","18:00:12",""
"1561104","8.1285","0.0002","22.6403","0.0006","14.3177","0.0003","90","","90.586","0.001","90","","2634.77","0.11","273","2","273","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Guest_MNB_235_071020","","","- C40 H26 -","- C40 H26 -","- C160 H104 -","4","1","","Baig, Noorullah; Shetty, Suchetha; Al-Mousawi, Saleh; Alameddine, Bassam","Conjugated microporous polymers using a copper-catalyzed [4 + 2] cyclobenzannulation reaction: promising materials for iodine and dye adsorption","Polymer Chemistry","2021","12","15","2282","2292","10.1039/D1PY00193K","","","1.54178","CuKα","","0.0763","0.0694","","","0.1456","0.1479","","","","","","2.981","","","","has coordinates","264967","2021-05-05","09:08:03",""
"1561105","12.906","0.0012","17.5583","0.0014","22.216","0.002","92.437","0.005","94.87","0.006","90.603","0.005","5011.1","0.8","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C60 H50 -","- C60 H50 -","- C240 H200 -","4","2","","Baig, Noorullah; Shetty, Suchetha; Al-Mousawi, Saleh; Alameddine, Bassam","Conjugated microporous polymers using a copper-catalyzed [4 + 2] cyclobenzannulation reaction: promising materials for iodine and dye adsorption","Polymer Chemistry","2021","12","15","2282","2292","10.1039/D1PY00193K","","","1.54178","CuKα","","0.1418","0.0842","","","0.2213","0.2632","","","","","","1.029","","","","has coordinates","264967","2021-05-05","09:08:06",""
"1561180","18.8279","0.001","27.9082","0.0016","32.268","0.003","90","","106.815","0.003","90","","16230","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2SeTe-Ox","","","- C84 H108 O16 Se4 Te2 -","- C84 H108 O16 Se4 Te2 -","- C672 H864 O128 Se32 Te16 -","8","2","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.0978","0.0588","","","0.1427","0.1657","","","","","","1.036","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561181","9.902","0.003","14.643","0.004","16.12","0.005","106.116","0.009","104.058","0.011","96.56","0.009","2136.4","1.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","2SeTe-ox-Cl","2SeTe-ox-Cl","","- C42 H54 Cl2 O7 Se2 Te -","- C42 H54 Cl2 O7 Se2 Te -","- C84 H108 Cl4 O14 Se4 Te2 -","2","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.103","0.0792","","","0.2298","0.2564","","","","","","1.118","","","","has coordinates","265913","2021-06-05","17:53:37",""
"1561182","37.942","0.002","17.3698","0.0011","29.2185","0.0018","90","","105.56","0.002","90","","18550.6","1.9","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","IM-1","","","- C98 H124 Cl2 O17 Te2 -","- C98 H124 Cl2 O17 Te2 -","- C784 H992 Cl16 O136 Te16 -","8","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.1331","0.0876","","","0.2282","0.2711","","","","","","1.026","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561183","39.1328","0.0011","20.3253","0.0007","29.544","0.0008","90","","136.459","0.001","90","","16187.8","0.9","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Te-Ox","","","- C84 H116 O16 Te2 -","- C84 H116 O16 Te2 -","- C672 H928 O128 Te16 -","8","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.0719","0.0396","","","0.073","0.0883","","","","","","1.076","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561184","19.1567","0.001","35.2402","0.0017","49.703","0.002","97.646","0.002","90.535","0.002","92.72","0.002","33214","3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","2STe-Ox","","","- C84 H108 O16 S4 Te2 -","- C84 H108 O16 S4 Te2 -","- C1344 H1728 O256 S64 Te32 -","16","8","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.1274","0.0874","","","0.2278","0.2499","","","","","","1.017","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561185","9.8421","0.0004","14.6373","0.0006","16.1252","0.0006","107.209","0.003","103.814","0.003","97.239","0.003","2105.86","0.16","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","2STe-ox-Cl","2STe-ox-Cl","","- C42 H54 Cl2 O7 S2 Te -","- C42 H54 Cl2 O7 S2 Te -","- C84 H108 Cl4 O14 S4 Te2 -","2","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","x-ray","1.54184","CuKα","","0.1242","0.1093","","","0.2875","0.3028","","","","","","1.046","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561186","14.21","0.003","28.1537","0.0019","27.91","0.003","90","","104.632","0.008","90","","10804","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H162 K N O24 Si6 U2 -","- C72 H162 K N O24 Si6 U2 -","- C288 H648 K4 N4 O96 Si24 U8 -","4","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","","0.71073","MoKα","","0.1292","0.0686","","","0.133","0.1623","","","","","","1.111","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561187","13.9065","0.0004","18.2338","0.0007","22.181","0.0009","90","","92.45","0.004","90","","5619.3","0.4","139.99","0.1","139.99","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C146 H324 K4 N4 O48 S4 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.1313","0.0772","","","0.1898","0.2164","","","","","","1.074","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561188","13.9377","0.0005","17.9175","0.0005","22.0849","0.0006","90","","92.306","0.003","90","","5510.8","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O26 Si6 U2 -","- C73 H162 K2 N2 O26 Si6 U2 -","- C146 H324 K4 N4 O52 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.0857","0.064","","","0.1592","0.1724","","","","","","1.017","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561189","14.4207","0.0004","17.5321","0.0005","21.9098","0.0006","90","","91.84","0.003","90","","5536.5","0.3","140.01","0.1","140.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H172 K2 N2 O24 Si6 U2 -","- C79 H172 K2 N2 O24 Si6 U2 -","- C158 H344 K4 N4 O48 Si12 U4 -","2","0.5","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","0.71073","MoKα","","0.0695","0.039","","","0.0824","0.0983","","","","","","1.06","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561190","14.382","0.002","17.661","0.003","21.819","0.004","90","","92.012","0.009","90","","5538.6","1.6","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 K2 N4 O24 Si6 U2 -","- C72 H162 K2 N4 O24 Si6 U2 -","- C144 H324 K4 N8 O48 Si12 U4 -","2","0.5","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","","0.71073","MoKα","","0.117","0.0592","","","0.1241","0.1665","","","","","","1.135","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561191","13.9927","0.0015","18.2874","0.0012","22.208","0.002","90","","93.321","0.007","90","","5673.3","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H170 K2 N2 O26 Si6 U2 -","- C81 H170 K2 N2 O26 Si6 U2 -","- C162 H340 K4 N4 O52 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","","0.71073","MoKα","","0.0717","0.0511","","","0.1029","0.1128","","","","","","1.067","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561223","16.2273","0.0012","15.8447","0.0009","18.9351","0.0014","90","","98.715","0.003","90","","4812.3","0.6","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 Ca O4 Sn2 -","- C52 H62 Ca O4 Sn2 -","- C208 H248 Ca4 O16 Sn8 -","4","0.5","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0499","0.0336","","","0.0709","0.0785","","","","","","1.058","","","","has coordinates","265915","2021-06-05","17:54:38",""
"1561224","20.9784","0.0013","13.237","0.0008","20.0226","0.0016","90","","105.698","0.004","90","","5352.7","0.6","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H86 Ca O4 Si6 Sn2 -","- C34 H86 Ca O4 Si6 Sn2 -","- C136 H344 Ca4 O16 Si24 Sn8 -","4","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0741","0.0407","","","0.083","0.098","","","","","","1.005","","","","has coordinates,has disorder","265915","2021-06-05","17:54:39",""
"1561225","16.3942","0.0019","15.957","0.0017","19.01","0.002","90","","99.049","0.005","90","","4911.2","0.9","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 O4 Sn2 Sr -","- C52 H62 O4 Sn2 Sr -","- C208 H248 O16 Sn8 Sr4 -","4","0.5","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0443","0.0331","","","0.0744","0.0813","","","","","","1.035","","","","has coordinates","265915","2021-06-05","17:54:39",""
"1561226","19.499","0.004","17.117","0.003","34.898","0.007","90","","91.768","0.006","90","","11642","4","150","","150","","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H94 Ba O5 Si6 Sn2 -","- C38 H94 Ba O5 Si6 Sn2 -","- C304 H752 Ba8 O40 Si48 Sn16 -","8","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0643","0.0569","","","0.1231","0.1267","","","","","","1.128","","","","has coordinates,has disorder","265915","2021-06-05","17:54:39",""
"1561227","40.215","0.005","13.1722","0.0017","20.52","0.003","90","","93.183","0.004","90","","10853","3","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H86 O4 Si6 Sn2 Sr -","- C34 H86 O4 Si6 Sn2 Sr -","- C272 H688 O32 Si48 Sn16 Sr8 -","8","2","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0901","0.0812","","","0.2469","0.2585","","","","","","1.017","","","","has coordinates","265915","2021-06-05","17:54:39",""
"1561228","17.2099","0.0009","35.155","0.002","18.6605","0.001","90","","90","","90","","11289.9","1.1","150","","150","","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","","","- C116 H148 Ba2 O11 Sn4 -","- C116 H148 Ba2 O11 Sn4 -","- C464 H592 Ba8 O44 Sn16 -","4","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0744","0.0606","","","0.1355","0.1447","","","","","","1.12","","","","has coordinates,has disorder","265915","2021-06-05","17:54:39",""
"1561229","7.845","0.003","10.433","0.002","15.69","0.007","73.92","0.03","89.21","0.03","70.37","0.02","1157.8","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Br2 N2 O2 S2 -","- C40 H34 Br2 N2 O2 S2 -","- C40 H34 Br2 N2 O2 S2 -","1","0.5","","Yang, Wei; Sun, Mingxiang; Wang, Yue; Yan, Hui; Zhang, Guobing; Zhang, Qing","Bis-isatin based polymers with tunable energy levels for organic field-effect transistor applications","Polymer Chemistry","2021","12","15","2317","2324","10.1039/D0PY01726D","","","1.54178","CuKα","","0.1137","0.0991","","","0.3312","0.3571","","","","","","1.434","","","","has coordinates,has disorder","264968","2021-05-05","09:08:15",""
"1561441","19.603","0.004","17.296","0.004","12.944","0.002","90","","123.107","0.007","90","","3676.2","1.3","100","","100","","","","","","","","see text","4","C 1 2/m 1","-C 2y","12","","","","- C60 H90 Al6 Cu8 -","- C60 H90 Al6 Cu8 -","- C120 H180 Al12 Cu16 -","2","0.25","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.0816","0.079","","","0.2315","0.2361","","","","","","1.097","","","","has coordinates,has disorder","265910","2021-06-05","17:52:24",""
"1561442","10.6817","0.0008","10.6837","0.0008","15.0961","0.0012","75.703","0.002","72.18","0.002","60.202","0.002","1413.85","0.19","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C30 H45 Al Cu2 -","- C30 H45 Al1.001 Cu2.002 -","- C60 H90 Al2.002 Cu4.004 -","2","1","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.0405","0.0389","","","0.0872","0.0878","","","","","","1.269","","","","has coordinates,has disorder","265910","2021-06-05","17:52:25",""
"1561443","12.9999","0.0009","17.2545","0.0013","16.5285","0.0017","90","","97.741","0.0016","90","","3673.7","0.5","100","","100","","","","","","","","see text","4","I 1 2/m 1","-I 2y","12","","","","- C60 H90 Al6 Cu7.33 -","- C60 H90 Al6 Cu7.328 -","- C120 H180 Al12 Cu14.656 -","2","0.25","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.0683","0.0572","","","0.1882","0.1974","","","","","","1.118","","","","has coordinates,has disorder","265910","2021-06-05","17:52:25",""
"1561444","14.6563","0.0011","25.306","0.002","19.6043","0.0016","90","","92.589","0.003","90","","7263.7","1","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H86 Al4 Cu4 -","- C59 H86 Al4 Cu4 -","- C236 H344 Al16 Cu16 -","4","1","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.096","0.0718","","","0.1437","0.1499","","","","","","1.059","","","","has coordinates,has disorder","265910","2021-06-05","17:52:25",""
"1561473","24.986","0.002","41.24","0.004","25.1687","0.0019","90","","108.986","0.002","90","","24524","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C328 H616 N40 O216 P8 S0 V48 -","- C248 H388 N20 O192 P8 V48 -","- C496 H776 N40 O384 P16 V96 -","2","0.5","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.1038","0.0751","","","0.2301","0.2506","","","","","","1.1","","","","has coordinates","268619","2021-09-06","09:59:10",""
"1561474","24.986","0.0016","42.565","0.003","25.2167","0.0018","90","","109.572","0.002","90","","25269","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C369 H665 N31 O227 P8 S0 V48 -","- C252 H324 N18 O192 P8 V48 -","- C504 H648 N36 O384 P16 V96 -","2","0.5","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.2255","0.1215","","","0.296","0.3816","","","","","","1.03","","","","has coordinates","268619","2021-09-06","09:59:11",""
"1561475","39.096","0.007","26.059","0.005","29.242","0.005","90","","113.642","0.004","90","","27291","9","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C309 H610 Cl N23 O245 P8 V56 -","- C232 H376 Cl N5 O228 P8 V56 -","- C464 H752 Cl2 N10 O456 P16 V112 -","2","0.25","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.2048","0.133","","","0.3307","0.3952","","","","","","1.081","","","","has coordinates","268619","2021-09-06","09:59:11",""
"1561476","27.776","0.003","32.56","0.003","36.61","0.003","90","","105.89","0.003","90","","31844","5","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C156 H297 N11 O106 P4 S0 V24 -","- C124 H200 N4 O96 P4 V24 -","- C496 H800 N16 O384 P16 V96 -","4","1","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.0906","0.0721","","","0.2","0.2115","","","","","","1.048","","","","has coordinates,has disorder","268619","2021-09-06","09:59:11",""
"1561516","13.3643","0.0014","21.517","0.002","20.834","0.002","90","","94.905","0.003","90","","5969.1","1","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H78 N4 O4 Pt2 -","- C66 H78 N4 O4 Pt2 -","- C264 H312 N16 O16 Pt8 -","4","1","","Pander, Piotr; Daniels, Ruth; Zaytsev, Andrey V.; Horn, Ashleigh; Sil, Amit; Penfold, Thomas J.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Dias, Fernando B.","Exceptionally fast radiative decay of a dinuclear platinum complex through thermally activated delayed fluorescence.","Chemical science","2021","12","17","6172","6180","10.1039/d1sc00160d","","x-ray","0.71073","MoKα","","0.1811","0.0762","","","0.1231","0.1499","","","","","","1.007","","","","has coordinates","265909","2021-06-05","17:51:54",""
"1561583","10.5126","0.0012","13.2993","0.0015","13.3298","0.0015","88.442","0.003","84.692","0.003","69.641","0.003","1739.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H28 N4 -","- C52 H28 N4 -","- C104 H56 N8 -","2","1","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.1261","0.0622","","","0.1365","0.1637","","","","","","1.019","","","","has coordinates,has disorder","265911","2021-06-05","17:52:39",""
"1561584","6.9885","0.0003","10.0688","0.0004","14.6611","0.0005","90","","103.589","0.001","90","","1002.76","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.0576","0.0376","","","0.0856","0.0935","","","","","","1.037","","","","has coordinates","265911","2021-06-05","17:52:40",""
"1561585","5.0524","0.0004","15.7417","0.0011","15.791","0.0011","90","","90","","90","","1255.91","0.16","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 -","- C19 H16 -","- C76 H64 -","4","1","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.0646","0.0451","","","0.0924","0.0988","","","","","","1.065","","","","has coordinates","265911","2021-06-05","17:52:40",""
"1561586","18.41","0.003","11.5059","0.0017","12.1836","0.0018","90","","109.148","0.004","90","","2438","0.6","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 -","- C19 H12 -","- C152 H96 -","8","2","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.1942","0.1351","","","0.4055","0.4548","","","","","","2.077","","","","has coordinates,has disorder","265911","2021-06-05","17:52:40",""
"1561587","9.8601","0.0004","9.0281","0.0004","16.8983","0.0006","90","","90","","90","","1504.25","0.1","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C21 H20 -","- C21 H20 -","- C84 H80 -","4","1","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.0619","0.049","","","0.1159","0.122","","","","","","1.054","","","","has coordinates","265911","2021-06-05","17:52:40",""
"1562005","9.138","0.0011","13.8136","0.0018","15.8299","0.0019","90","","90","","90","","1998.2","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O -","- C24 H30 N2 O -","- C96 H120 N8 O4 -","4","1","","Panahi, Farhad; Khosravi, Hormoz; Bauer, Felix; Breit, Bernhard","Asymmetric hydroalkylation of alkynes and allenes with imidazolidinone derivatives: α-alkenylation of α-amino acids","Chemical Science","2021","12","21","7388","7392","10.1039/D1SC00240F","","","0.71073","MoKα","","0.0609","0.0431","","","0.0843","0.0917","","","","","","1.058","","","","has coordinates","265936","2021-06-05","18:02:53",""
"1562057","9.2424","0.0003","8.7534","0.0003","15.2178","0.0004","90","","96.784","0.001","90","","1222.54","0.07","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 O5 S Si -","- C23 H30 O5 S Si -","- C46 H60 O10 S2 Si2 -","2","1","","Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters.","Chemical science","2021","12","21","7498","7503","10.1039/d1sc01096d","","","1.54178","CuKα","","0.0244","0.024","","","0.0656","0.0659","","","","","","1.071","","","","has coordinates","268620","2021-09-06","10:02:30",""
"1562058","11.9751","0.0005","20.8149","0.0009","12.9319","0.0006","90","","106.231","0.001","90","","3094.9","0.2","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H78 F9 N4 O17 S3 Y -","- C49 H78 F9 N4 O17 S3 Y -","- C98 H156 F18 N8 O34 S6 Y2 -","2","1","","Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters.","Chemical science","2021","12","21","7498","7503","10.1039/d1sc01096d","","","1.54178","CuKα","","0.0267","0.0265","","","0.0701","0.0702","","","","","","1.05","","","","has coordinates","268620","2021-09-06","10:02:31",""
"1562115","10.0914","0.0001","9.9851","0.0001","10.5204","0.0001","90","","92.72","0.001","90","","1058.88","0.018","123","2","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21.53 N3 O7 P -","- C18 H21.53 N3 O7 P -","- C36 H43.06 N6 O14 P2 -","2","1","","Kaasik, Mikk; Martõnova, Jevgenija; Erkman, Kristin; Metsala, Andrus; Järving, Ivar; Kanger, Tõnis","Enantioselective Michael addition to vinyl phosphonates <i>via</i> hydrogen bond-enhanced halogen bond catalysis.","Chemical science","2021","12","21","7561","7568","10.1039/d1sc01029h","","x-ray","1.54184","CuKα","","0.0351","0.0351","","","0.094","0.094","","","","","","1.046","","","","has coordinates,has disorder","268625","2021-09-06","10:07:00",""
"1562116","26.3005","0.0016","46.071","0.003","30.4842","0.0018","90","","91.29","0.004","90","","36928","4","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C554 H856 B3 Cs3 F72 N109 O90.25 Si40 -","- C554 H856 B3 Cs3 F72 N109 O90.25 Si40 -","- C1108 H1712 B6 Cs6 F144 N218 O180.5 Si80 -","2","1","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.1252","0.1013","","","0.2578","0.2823","","","","","","1.04","","","","has coordinates,has disorder","268617","2021-09-06","09:56:25",""
"1562117","9.0849","0.0004","21.33","0.001","23.003","0.001","90","","90","","90","","4457.5","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl N5 O5.5 -","- C20 H24 Cl N5 O5.5 -","- C160 H192 Cl8 N40 O44 -","8","2","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.0276","0.026","","","0.0636","0.0647","","","","","","1.023","","","","has coordinates,has disorder","268617","2021-09-06","09:56:26",""
"1562118","64.413","0.002","7.1861","0.0002","22.2867","0.0007","90","","99.221","0.001","90","","10182.7","0.5","115","2","115","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.69 H47.76 N5 O4.94 Si2 -","- C28.6913 H47.7653 N5 O4.94133 Si2 -","- C344.296 H573.184 N60 O59.296 Si24 -","12","3","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.0746","0.0646","","","0.1792","0.1909","","","","","","1.024","","","","has coordinates,has disorder","268617","2021-09-06","09:56:26",""
"1562119","11.1651","0.0007","10.4907","0.0006","12.5832","0.0006","90","","94.045","0.006","90","","1470.2","0.14","99.95","0.13","99.95","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 B N3 O4 -","- C15 H16 B N3 O4 -","- C60 H64 B4 N12 O16 -","4","1","","Lin, Shengjia; Wang, Lucia; Sharma, Abhishek","Acrylic boronate: a multifunctional C3 building block for catalytic synthesis of rare organoborons and chemoselective heterobifunctional ligations.","Chemical science","2021","12","22","7924","7929","10.1039/d1sc00905b","","x-ray","1.54184","CuKα","","0.0884","0.0531","","","0.0946","0.0991","","","","","","1.024","","","","has coordinates","268618","2021-09-06","09:57:52",""
"1562120","17.1144","0.0019","9.3148","0.0009","12.0484","0.0017","90","","94.91","0.011","90","","1913.7","0.4","292.9","0.5","292.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 B N3 O4 -","- C20 H18 B N3 O4 -","- C80 H72 B4 N12 O16 -","4","1","","Lin, Shengjia; Wang, Lucia; Sharma, Abhishek","Acrylic boronate: a multifunctional C3 building block for catalytic synthesis of rare organoborons and chemoselective heterobifunctional ligations.","Chemical science","2021","12","22","7924","7929","10.1039/d1sc00905b","","x-ray","1.54184","CuKα","","0.1838","0.0929","","","0.232","0.2818","","","","","","1.017","","","","has coordinates","268618","2021-09-06","09:57:52",""
"1562121","13.63","0.002","15.952","0.002","19.288","0.003","86.368","0.004","88.416","0.004","78.854","0.003","4105.8","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H102 Au2 Br N8 O4 -","- C82 H102 Au2 Br N8 O4 -","- C164 H204 Au4 Br2 N16 O8 -","2","1","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","","0.71073","MoKα","","0.0439","0.0387","","","0.1014","0.1048","","","","","","1.031","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562122","11.0894","0.0003","18.0488","0.0004","24.6597","0.0005","101.631","0.0018","93.6495","0.0019","101.64","0.002","4706.8","0.2","100.04","0.11","100.04","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C43 H57 Au F6 N5 O2 P -","- C43 H57 Au F6 N5 O2 P -","- C172 H228 Au4 F24 N20 O8 P4 -","4","2","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","x-ray","1.54184","CuKα","","0.0555","0.047","","","0.1219","0.1304","","","","","","1.025","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562123","11.3001","0.0003","50.4909","0.0013","17.6766","0.0004","90","","100.564","0.002","90","","9914.5","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H59 Au F6 N5 O2 P -","- C45 H59 Au F6 N5 O2 P -","- C360 H472 Au8 F48 N40 O16 P8 -","8","4","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","x-ray","1.54184","CuKα","","0.0922","0.0615","","","0.1375","0.1499","","","","","","1.032","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562124","11.0621","0.0002","18.0164","0.0003","25.9531","0.0005","102.579","0.002","92.799","0.001","98.359","0.001","4977.26","0.16","100.04","0.11","100.04","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C95 H118 Au2 Cl2 F12 N12 O6 P2 -","- C95 H118 Au2 Cl2 F12 N12 O6 P2 -","- C190 H236 Au4 Cl4 F24 N24 O12 P4 -","2","1","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","x-ray","1.54184","CuKα","","0.0425","0.0364","","","0.0891","0.094","","","","","","1.047","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562166","6.256","0.0003","7.6732","0.0003","28.1296","0.0008","90","","90","","90","","1350.32","0.09","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0389","0.0343","","0.0947","0.0884","0.0943","","","","","","1.0021","","","","has coordinates","268622","2021-09-06","10:05:32",""
"1562167","7.5201","0.0002","6.1363","0.0002","29.1109","0.0007","90","","93.778","0.002","90","","1340.42","0.07","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H13 F O2 S -","- C16 H13 F O2 S -","- C64 H52 F4 O8 S4 -","4","2","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0318","0.0295","","0.0754","0.0734","0.0754","","","","","","1.0019","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562168","7.2283","0.0001","19.7499","0.0001","21.8837","0.0001","90","","90.439","0.0005","90","","3123.99","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C144 H128 O32 S8 -","8","2","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0298","0.0285","","0.0832","0.082","0.0832","","","","","","0.9991","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562169","6.1993","0.0001","22.8971","0.0003","27.5542","0.0003","90","","90","","90","","3911.21","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C192 H168 O24 S12 -","12","3","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0342","0.0314","","0.0824","0.0783","0.0824","","","","","","1.0069","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562170","5.9144","0.0001","16.5154","0.0002","14.7712","0.0002","90","","95.2702","0.0014","90","","1436.73","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O2 S -","- C17 H16 O2 S -","- C68 H64 O8 S4 -","4","1","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0308","0.0295","","0.082","0.0806","0.082","","","","","","1.0022","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562171","10.6905","0.0002","12.9017","0.0001","11.275","0.0001","90","","99.604","0.001","90","","1533.32","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.039","0.0372","","","0.1012","0.1026","","","","","","1.059","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562172","10.0882","0.0002","11.6472","0.0002","14.4851","0.0003","101.004","0.002","106.6","0.002","96.185","0.002","1577.07","0.06","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","4","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0361","0.0353","","","0.0928","0.0933","","","","","","1.068","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562173","8.7363","0.0001","7.5297","0.0001","13.3695","0.0002","90","","90.32","0.001","90","","879.45","0.02","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0687","0.0688","","","","","","1.035","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562174","8.1066","0.0001","17.4846","0.0002","11.7095","0.0001","90","","90.935","0.001","90","","1659.49","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.044","0.0432","","","0.1165","0.1174","","","","","","1.052","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562175","6.8205","0.0002","17.9401","0.0003","6.9699","0.0002","90","","116.508","0.003","90","","763.18","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0391","0.0377","","","0.0997","0.1007","","","","","","1.026","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562176","8.0972","0.0001","7.0855","0.0001","13.1638","0.0002","90","","107.604","0.001","90","","719.875","0.018","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0268","0.0267","","","0.0708","0.0709","","","","","","1.025","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562177","11.3066","0.0001","8.3782","0.0001","20.2485","0.0002","90","","96.507","0.001","90","","1905.76","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H52 O8 -","- C46 H52 O8 -","- C92 H104 O16 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0542","0.0527","","","0.1328","0.1344","","","","","","1.048","","","","has coordinates,has disorder","268624","2021-09-06","10:06:47",""
"1562178","9.2554","0.0002","19.3711","0.0003","10.2742","0.0002","90","","115.9","0.002","90","","1657.02","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0386","0.0376","","","0.1018","0.1025","","","","","","1.061","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562179","10.533","0.0001","32.5011","0.0002","12.4209","0.0001","90","","111.317","0.001","90","","3961.18","0.06","100.01","0.11","100.01","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C78 H43 F48 O8 -","- C78 H43 F48 O8 -","- C156 H86 F96 O16 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.046","0.0454","","","0.1127","0.1131","","","","","","1.024","","","","has coordinates,has disorder","268624","2021-09-06","10:06:47",""
"1562180","17.7407","0.0001","27.9256","0.0002","27.9774","0.0002","90","","90","","90","","13860.5","0.16","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C67 H102 O4 -","- C67 H102 O4 -","- C536 H816 O32 -","8","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0452","0.0413","","","0.1007","0.1029","","","","","","1.025","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562231","13.2525","0.0009","18.3533","0.0012","15.0527","0.0009","90","","96.635","0.002","90","","3636.7","0.4","100","","100","","","","","","","","see text","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl2 F3 N8 O3 S Zn -","- C35 H35 Cl2 F3 N8 O3 S Zn -","- C140 H140 Cl8 F12 N32 O12 S4 Zn4 -","4","1","","Lauenstein, Raphael; Mader, Sophie L.; Derondeau, Henrieta; Esezobor, Oaikhena Z.; Block, Matthias; Römer, Armin J; Jandl, Christian; Riedle, Eberhard; Kaila, Ville R. I.; Hauer, Jürgen; Thyrhaug, Erling; Hess, Corinna R.","The central role of the metal ion for photoactivity: Zn- <i>vs.</i> Ni-Mabiq.","Chemical science","2021","12","21","7521","7532","10.1039/d0sc06096h","","x-ray","0.71073","MoKα","","0.0397","0.0309","","","0.0702","0.0742","","","","","","1.03","","","","has coordinates,has disorder","268623","2021-09-06","10:06:02",""
"1562299","10.4749","0.0002","16.5319","0.0004","23.0359","0.0007","90","","93.007","0.001","90","","3983.63","0.17","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 Au Cl2 N2 O2 P2 -","- C44 H39 Au Cl2 N2 O2 P2 -","- C176 H156 Au4 Cl8 N8 O8 P8 -","4","1","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0371","0.0249","","","0.0419","0.0451","","","","","","1.035","","","","has coordinates,has disorder","268626","2021-09-06","10:08:14",""
"1562300","12.0282","0.0006","16.7453","0.0008","20.3891","0.0011","97.253","0.002","95.135","0.002","90.405","0.002","4056.8","0.4","90","0.2","90","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Au Cl2 N O P2 -","- C42 H32 Au Cl2 N O P2 -","- C168 H128 Au4 Cl8 N4 O4 P8 -","4","2","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0727","0.0529","","","0.155","0.1696","","","","","","1.058","","","","has coordinates","268626","2021-09-06","10:08:15",""
"1562301","10.4667","0.0002","16.4519","0.0004","23.6049","0.0006","90","","96.182","0.001","90","","4041.06","0.16","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 Au Cl2 N2 P2 -","- C41 H33 Au Cl2 N2 P2 -","- C164 H132 Au4 Cl8 N8 P8 -","4","1","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0207","0.018","","","0.0402","0.0409","","","","","","1.087","","","","has coordinates","268626","2021-09-06","10:08:15",""
"1562302","13.5131","0.0003","16.8347","0.0004","18.5104","0.0004","90","","90","","90","","4210.91","0.16","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 Au Cl2 N O2 P2 -","- C44 H42 Au Cl2 N O2 P2 -","- C176 H168 Au4 Cl8 N4 O8 P8 -","4","1","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0245","0.0214","","","0.0454","0.0465","","","","","","1.073","","","","has coordinates","268626","2021-09-06","10:08:15",""
"1562354","10.0808","0.0007","24.277","0.0015","25.8121","0.0019","90","","90","","90","","6317","0.7","93.15","","93.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H62 N2 O14 Si10 -","- C56 H62 N2 O14 Si10 -","- C224 H248 N8 O56 Si40 -","4","1","","Ishida, Ayano; Fujii, Shunichi; Sumida, Akifumi; Kamitani, Tasuku; Minami, Saori; Urayama, Kenji; Imoto, Hiroaki; Naka, Kensuke","Supramolecular organogel formation behaviors of beads-on-string shaped poly(azomethine)s dependent on POSS structures in the main chains","Polymer Chemistry","2021","12","21","3169","3176","10.1039/D1PY00346A","","","0.71073","MoKα","","0.1318","0.0671","","","0.1545","0.1875","","","","","","1.013","","","","has coordinates,has disorder","266181","2021-06-05","19:33:04",""
"1562355","15.1086","0.0014","19.8115","0.0017","19.2127","0.0016","90","","93.602","0.002","90","","5739.5","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59.25 H54.5 Br2 Cl2.5 N2 Ni -","- C59.25 H54.5 Br2 Cl2.5 N2 Ni -","- C237 H218 Br8 Cl10 N8 Ni4 -","4","1","","Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang","Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis","Polymer Chemistry","2021","12","22","3240","3249","10.1039/D1PY00333J","","","0.71073","MoKα","","0.1506","0.0697","","","0.2153","0.2354","","","","","","1.083","","","","has coordinates","267253","2021-07-05","18:18:34",""
"1562356","12.976","0.0011","19.5971","0.0017","23.93","0.002","90","","96.867","0.002","90","","6041.6","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H53 Cl N2 Pd -","- C71 H53 Cl N2 Pd -","- C284 H212 Cl4 N8 Pd4 -","4","0.5","","Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang","Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis","Polymer Chemistry","2021","12","22","3240","3249","10.1039/D1PY00333J","","","0.71073","MoKα","","0.1074","0.0674","","","0.167","0.1812","","","","","","1.039","","","","has coordinates,has disorder","267253","2021-07-05","18:18:35",""
"1562357","15.86","0.0016","16.3701","0.0017","18.8102","0.0019","90","","106.03","0.004","90","","4693.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H51 Cl N2 Pd -","- C59 H51 Cl N2 Pd -","- C236 H204 Cl4 N8 Pd4 -","4","1","","Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang","Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis","Polymer Chemistry","2021","12","22","3240","3249","10.1039/D1PY00333J","","","0.71073","MoKα","","0.2442","0.1034","","","0.1724","0.2036","","","","","","1.039","","","","has coordinates,has disorder","267253","2021-07-05","18:18:35",""
"1562358","17.6855","0.0016","19.5147","0.0018","21.7741","0.0019","66.138","0.001","87.031","0.003","70.111","0.002","6430.3","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H52 Br2 N2 Ni -","- C70 H52 Br2 N2 Ni -","- C280 H208 Br8 N8 Ni4 -","4","2","","Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang","Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis","Polymer Chemistry","2021","12","22","3240","3249","10.1039/D1PY00333J","","","0.71073","MoKα","","0.2212","0.1169","","","0.2321","0.2475","","","","","","1.165","","","","has coordinates","267253","2021-07-05","18:18:35",""
"1562547","14.1113","0.0003","14.1996","0.0003","6.88839","0.00013","90","","90","","90","","1380.26","0.05","149.95","0.1","149.95","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dimethyl Dithienopyrrol","","- C16 H13 N S2 -","- C16 H13 N S2 -","- C64 H52 N4 S8 -","4","0.5","","Förtsch, Sebastian; Mena-Osteritz, Elena; Bäuerle, Peter","Synthesis and characterization of β,β′-dimethylated dithieno[3,2-b:2′,3′-d]pyrroles and their corresponding regioregular conducting electropolymers","Polymer Chemistry","2021","12","22","3332","3345","10.1039/D1PY00479D","","x-ray","1.54184","CuKα","","0.0354","0.0307","","","0.086","0.0898","","","","","","1.087","","","","has coordinates","267254","2021-07-05","18:18:41",""
"1562555","14.4656","0.0001","14.4656","0.0001","14.4656","0.0001","90","","90","","90","","3026.98","0.04","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 K6.35 O96 P16.36 Si7.64 -","- Al24 K6.3544 O96 P16.3632 Si7.6368 -","- Al24 K6.3544 O96 P16.3632 Si7.6368 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.01775","3.3713","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562556","14.472","0.0002","14.472","0.0002","14.472","0.0002","90","","90","","90","","3031","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Na7.9 O96 P16.36 Si7.64 -","- Al24 Na7.896 O96 P16.3584 Si7.6416 -","- Al24 Na7.896 O96 P16.3584 Si7.6416 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.00658","1.5266","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562557","14.6832","0.0002","14.6832","0.0002","14.6832","0.0002","90","","90","","90","","3165.64","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Cs6.6 O96 P16.26 Si7.74 -","- Al24 Cs6.6 O96 P16.2552 Si7.7448 -","- Al24 Cs6.6 O96 P16.2552 Si7.7448 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.05352","4.2486","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562558","14.6833","0.0002","14.6833","0.0002","14.6833","0.0002","90","","90","","90","","3165.71","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Cs6.6 O157.98 P16.26 Si7.74 -","- Al24 Cs6.5992 O157.984 P16.2552 Si7.7448 -","- Al24 Cs6.5992 O157.984 P16.2552 Si7.7448 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.02336","2.1844","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562624","13.0037","0.0003","13.1533","0.0002","22.7428","0.0004","99.03","0.001","103.602","0.002","101.623","0.002","3617.03","0.13","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C79 H62 B Cl2 F4 N2 O4 Os P3 -","- C79 H62 B Cl2 F4 N2 O4 Os P3 -","- C158 H124 B2 Cl4 F8 N4 O8 Os2 P6 -","2","1","","Lin, Xusheng; Xie, Weiwei; Lin, Qin; Cai, Yuanting; Hua, Yuhui; Lin, Jianfeng; He, Guomei; Chen, Jiangxi","NIR-responsive metal-containing polymer hydrogel for light-controlled microvalve","Polymer Chemistry","2021","12","23","3375","3382","10.1039/D1PY00404B","","x-ray","1.54184","CuKα","","0.0758","0.068","","","0.1716","0.1825","","","","","","1.046","","","","has coordinates","267255","2021-07-05","18:18:49",""
"1563141","15.66789","0.00014","17.47136","0.00016","24.16489","0.00019","90","","93.6596","0.0008","90","","6601.39","0.1","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H100 K N5 O6 Si6 U -","- C50 H100 K N5 O6 Si6 U -","- C200 H400 K4 N20 O24 Si24 U4 -","4","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.0306","0.0273","","","0.0648","0.0665","","","","","","1.04","","","","has coordinates","265778","2021-06-04","10:52:10",""
"1563142","22.6297","0.0005","23.9733","0.0005","23.9063","0.0005","90","","92.9909","0.0018","90","","12951.7","0.5","139.9","0.6","139.9","0.6","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H100 K N7 O6 Si6 U -","- C48 H100 K N7 O6 Si6 U -","- C384 H800 K8 N56 O48 Si48 U8 -","8","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.0934","0.0502","","","0.1186","0.1328","","","","","","0.841","","","","has coordinates","265778","2021-06-04","10:52:11",""
"1563143","11.477","0.0003","16.679","0.0008","19.0067","0.0008","103.478","0.004","101.463","0.003","90.908","0.003","3460.2","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H100 K N7 O6 Si6 U -","- C48 H100 K N7 O6 Si6 U -","- C96 H200 K2 N14 O12 Si12 U2 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.1104","0.1069","","","0.2799","0.2818","","","","","","1.147","","","","has coordinates","265778","2021-06-04","10:52:11",""
"1563412","6.9422","0.0009","18.635","0.002","29.823","0.003","90","","90","","90","","3858.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C176 H216 N24 O24 -","8","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.1247","0.0686","","","0.1574","0.1931","","","","","","1.03","","","","has coordinates","268627","2021-09-06","10:08:49",""
"1563413","9.5249","0.0005","9.5481","0.0006","12.5232","0.0007","90.01","0.004","96.492","0.004","105.918","0.004","1087.64","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 N3 O3 -","- C25 H33 N3 O3 -","- C50 H66 N6 O6 -","2","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.1185","0.0591","","","0.1241","0.1504","","","","","","0.968","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563414","4.92","0.0004","16.6625","0.0017","18.9799","0.0017","87.245","0.003","87.143","0.003","86.58","0.003","1549.7","0.2","100.01","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H50 N4 O4 -","- C33 H50 N4 O4 -","- C66 H100 N8 O8 -","2","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.1653","0.0679","","","0.1123","0.1405","","","","","","1.016","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563415","24.1436","0.0007","9.2164","0.0003","18.0242","0.0005","90","","90","","90","","4010.7","0.2","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H29 N3 O3 -","- C23 H29 N3 O3 -","- C184 H232 N24 O24 -","8","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.0615","0.047","","","0.1089","0.1159","","","","","","1.028","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563416","8.6541","0.0015","9.2597","0.0018","13.842","0.003","104.249","0.008","97.838","0.008","96.127","0.008","1053.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N3 O3 -","- C24 H31 N3 O3 -","- C48 H62 N6 O6 -","2","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.064","0.0462","","","0.1135","0.1233","","","","","","1.047","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563535","9.2586","0.0002","9.6167","0.0002","15.5862","0.0004","89.2238","0.0012","75.0508","0.0011","65.7927","0.001","1216.17","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 N2 O3 S2 -","- C22 H32 N2 O3 S2 -","- C44 H64 N4 O6 S4 -","2","1","","Roymuhury, Sagnik K.; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol‒metal coordination: application in stereoselective ring-opening polymerization of lactide","Polymer Chemistry","2021","12","27","3953","3967","10.1039/D1PY00237F","","","0.71073","MoKα","","0.085","0.0737","","","0.2182","0.2338","","","","","","1.037","","","","has coordinates","268962","2021-09-06","12:40:02",""
"1563536","9.871","0.0003","9.8841","0.0003","10.9592","0.0003","98.4485","0.0011","94.876","0.0011","94.1161","0.0012","1049.96","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O3 S2 -","- C19 H26 N2 O3 S2 -","- C38 H52 N4 O6 S4 -","2","1","","Roymuhury, Sagnik K.; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol‒metal coordination: application in stereoselective ring-opening polymerization of lactide","Polymer Chemistry","2021","12","27","3953","3967","10.1039/D1PY00237F","","","0.71073","MoKα","","0.0832","0.0743","","","0.2076","0.2207","","","","","","1.042","","","","has coordinates","268962","2021-09-06","12:40:11",""
"1563537","13.081","0.004","23.84","0.008","15.426","0.005","90","","101.148","0.012","90","","4720","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N4 O4 S2 Ti -","- C34 H36 N4 O4 S2 Ti -","- C136 H144 N16 O16 S8 Ti4 -","4","1","","Roymuhury, Sagnik K.; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol‒metal coordination: application in stereoselective ring-opening polymerization of lactide","Polymer Chemistry","2021","12","27","3953","3967","10.1039/D1PY00237F","","","0.71073","MoKα","","0.0769","0.0585","","","0.1552","0.1676","","","","","","1.111","","","","has coordinates,has disorder","268962","2021-09-06","12:40:11",""
"1563538","17.719","0.0009","10.8186","0.0005","21.7958","0.0011","90","","93.293","0.002","90","","4171.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.03 H46.03 N4 O4 S2 Ti -","- C40.028 H46.026 N4 O4 S2 Ti -","- C160.112 H184.104 N16 O16 S8 Ti4 -","4","1","","Roymuhury, Sagnik K.; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol‒metal coordination: application in stereoselective ring-opening polymerization of lactide","Polymer Chemistry","2021","12","27","3953","3967","10.1039/D1PY00237F","","","0.71073","MoKα","","0.073","0.0471","","","0.1194","0.1493","","","","","","1.057","","","","has coordinates,has disorder","268962","2021-09-06","12:40:11",""
"1563691","23.69","0.002","12.7455","0.0011","23.188","0.002","90","","90","","90","","7001.4","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H84 Al N2 O4 P -","- C51 H84 Al N2 O4 P -","- C204 H336 Al4 N8 O16 P4 -","4","1","","Ge, Fang; Li, Sun; Wang, Zhe; Zhang, Wenzhong; Wang, Xiaowu","Controlled and efficient polymerization of methyl methacrylate catalyzed by pyridinylidenaminophosphine based Lewis pairs","Polymer Chemistry","2021","12","29","4226","4234","10.1039/D1PY00579K","","","0.71073","MoKα","","0.1243","0.0583","","","0.0889","0.0942","","","","","","1.068","","","","has coordinates","268961","2021-09-06","12:39:47",""
"1563692","12.9533","0.0007","12.0272","0.0004","11.7499","0.0006","90","","116.824","0.005","90","","1633.57","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N2 P -","- C15 H27 N2 P -","- C60 H108 N8 P4 -","4","1","","Ge, Fang; Li, Sun; Wang, Zhe; Zhang, Wenzhong; Wang, Xiaowu","Controlled and efficient polymerization of methyl methacrylate catalyzed by pyridinylidenaminophosphine based Lewis pairs","Polymer Chemistry","2021","12","29","4226","4234","10.1039/D1PY00579K","","","1.54178","CuKα","","0.0529","0.043","","","0.1148","0.1219","","","","","","1.068","","","","has coordinates","268961","2021-09-06","12:39:51",""
"1564108","48.0435","0.0005","12.5444","0.0001","16.9753","0.0002","90","","90.618","0.001","90","","10230","0.18","169.99","0.11","169.99","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H59 Cl2 Fe N3 -","- C59 H59 Cl2 Fe N3 -","- C472 H472 Cl16 Fe8 N24 -","8","1","","Guo, Liwei; Zhang, Wenjuan; Cao, Furong; Jiang, Youshu; Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Sun, Wen-Hua","Remote dibenzocycloheptyl substitution on a bis(arylimino)pyridyl-iron ethylene polymerization catalyst; enhanced thermal stability and unexpected effects on polymer properties","Polymer Chemistry","2021","12","29","4214","4225","10.1039/D1PY00660F","","x-ray","1.54184","CuKα","","0.0722","0.0597","","","0.1736","0.1919","","","","","","1.059","","","","has coordinates,has disorder","268960","2021-09-06","12:39:37",""
"1564109","21.6551","0.0004","17.1174","0.0003","16.8958","0.0003","90","","102.716","0.002","90","","6109.3","0.2","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 Cl2 Fe N3 -","- C57 H55 Cl2 Fe N3 -","- C228 H220 Cl8 Fe4 N12 -","4","1","","Guo, Liwei; Zhang, Wenjuan; Cao, Furong; Jiang, Youshu; Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Sun, Wen-Hua","Remote dibenzocycloheptyl substitution on a bis(arylimino)pyridyl-iron ethylene polymerization catalyst; enhanced thermal stability and unexpected effects on polymer properties","Polymer Chemistry","2021","12","29","4214","4225","10.1039/D1PY00660F","","","0.71073","MoKα","","0.13","0.0783","","","0.1812","0.204","","","","","","1.029","","","","has coordinates,has disorder","268960","2021-09-06","12:39:38",""
"1564309","11.0865","0.0011","24.739","0.002","18.0106","0.0017","90","","100.813","0.002","90","","4852","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cl2 N2 Pd -","- C58 H62 Cl2 N2 Pd -","- C232 H248 Cl8 N8 Pd4 -","4","1","","Hai, Zijuan; Lu, Zhou; Li, Shuaikang; Cao, Zhong-Yan; Dai, Shengyu","The synergistic effect of rigid and flexible substituents on insertion polymerization with α-diimine nickel and palladium catalysts","Polymer Chemistry","2021","12","32","4643","4653","10.1039/D1PY00812A","","","0.71073","MoKα","","0.1101","0.0749","","","0.2027","0.2311","","","","","","1.109","","","","has coordinates,has disorder","268964","2021-09-06","12:40:35",""
"1564310","9.5481","0.0005","15.1927","0.0007","15.9838","0.0008","62.136","0.005","84.247","0.004","84.451","0.004","2036.2","0.2","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18.5 H27 Cl2 N3 O Pd -","- C18.5 H27 Cl2 N3 O Pd -","- C74 H108 Cl8 N12 O4 Pd4 -","4","2","","Dong, Jie; Wang, Baiquan","Homo- and copolymerization of norbornene using tridentate IzQO palladium catalysts with dimethylaminoethyl as a side arm","Polymer Chemistry","2021","12","32","4736","4747","10.1039/D1PY00699A","","x-ray","0.71073","MoKα","","0.0524","0.0392","","","0.0816","0.0916","","","","","","1.064","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1564311","13.427","0.003","10.938","0.002","19.798","0.004","90","","107.14","0.03","90","","2778.5","1.1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Cl N3 O Pd -","- C32 H34 Cl N3 O Pd -","- C128 H136 Cl4 N12 O4 Pd4 -","4","1","","Dong, Jie; Wang, Baiquan","Homo- and copolymerization of norbornene using tridentate IzQO palladium catalysts with dimethylaminoethyl as a side arm","Polymer Chemistry","2021","12","32","4736","4747","10.1039/D1PY00699A","","","0.71073","MoKα","","0.0446","0.0375","","","0.0863","0.0908","","","","","","1.081","","","","has coordinates","268963","2021-09-06","12:40:24",""
"1564312","18.1028","0.0007","14.4854","0.0005","24.8028","0.0009","90","","101.78","0.004","90","","6367","0.4","113","2","113.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34.12 H38.25 Cl1.25 N3 O3 Pd -","- C34.125 H38.25 Cl1.25 N3 O3 Pd -","- C273 H306 Cl10 N24 O24 Pd8 -","8","1","","Dong, Jie; Wang, Baiquan","Homo- and copolymerization of norbornene using tridentate IzQO palladium catalysts with dimethylaminoethyl as a side arm","Polymer Chemistry","2021","12","32","4736","4747","10.1039/D1PY00699A","","x-ray","0.71073","MoKα","","0.0544","0.0402","","","0.0822","0.09","","","","","","1.043","","","","has coordinates","268963","2021-09-06","12:40:24",""
"1564317","12.7636","0.0003","23.5852","0.0005","15.1155","0.0003","90","","94.688","0.007","90","","4535.03","0.18","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","M1","","- C49 H60 N2 O4 P2 Pt -","- C49 H60 N2 O4 P2 Pt -","- C196 H240 N8 O16 P8 Pt4 -","4","1","","Sotani, Taichi; Mizokuro, Toshiko; Yajima, Tatsuo; Sogawa, Hiromitsu; Sanda, Fumio","Highly photoluminescent poly(norbornene)s carrying platinum‒acetylide complex moieties in their side chains: evaluation of oxygen sensing and TTA‒UC","Polymer Chemistry","2021","12","33","4829","4837","10.1039/D1PY00665G","","","0.71075","MoKα","","0.0348","0.032","","","0.0723","0.0735","","","","","","1.092","","","","has coordinates","268965","2021-09-06","12:40:47",""
"1564319","29.117","0.006","5.3771","0.0012","20.697","0.005","90","","128.911","0.005","90","","2521.4","1","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 O1.03 S -","- C36 H24 N2 O1.028 S -","- C144 H96 N8 O4.112 S4 -","4","0.5","","Xu, Zhen; Climent, Clàudia; Brown, Christopher M.; Hean, Duane; Bardeen, Christopher J.; Casanova, David; Wolf, Michael O.","Controlling ultralong room temperature phosphorescence in organic compounds with sulfur oxidation state.","Chemical science","2020","12","1","188","195","10.1039/d0sc04715e","","","0.71073","MoKα","","0.0741","0.0485","","","0.103","0.1136","","","","","","1.078","","","","has coordinates","267936","2021-08-04","11:09:45",""
"1564320","28.655","0.005","5.5039","0.0011","20.506","0.004","90","","128.655","0.005","90","","2525.6","0.9","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N2 O2 S -","- C36 H24 N2 O2 S -","- C144 H96 N8 O8 S4 -","4","0.5","","Xu, Zhen; Climent, Clàudia; Brown, Christopher M.; Hean, Duane; Bardeen, Christopher J.; Casanova, David; Wolf, Michael O.","Controlling ultralong room temperature phosphorescence in organic compounds with sulfur oxidation state.","Chemical science","2020","12","1","188","195","10.1039/d0sc04715e","","","0.71073","MoKα","","0.0802","0.0454","","","0.092","0.103","","","","","","1.052","","","","has coordinates","267936","2021-08-04","11:09:51",""
"1564526","19.437","0.002","15.0322","0.0018","20.796","0.002","90","","91.599","0.003","90","","6073.8","1.1","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H100 Al N3 O4 P -","- C60 H100 Al N3 O4 P -","- C240 H400 Al4 N12 O16 P4 -","4","1","","Bai, Yun; Wang, Huaiyu; He, Jianghua; Zhang, Yuetao","Living polymerization of naturally renewable butyrolactone-based vinylidenes mediated by a frustrated Lewis pair","Polymer Chemistry","2021","12","38","5548","5555","10.1039/D1PY00924A","","","0.71073","MoKα","","0.2091","0.0794","","","0.169","0.2213","","","","","","0.946","","","","has coordinates,has disorder","270518","2021-11-06","20:49:11",""
"1564612","9.5758","0.0002","11.0583","0.0002","19.9278","0.0003","92.631","0.002","94.094","0.002","91.383","0.002","2101.8","0.07","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C51 H37.5 As Br F0.5 Fe N O3 S -","- C51 H37.5 As Br F0.5 Fe N O3 S -","- C102 H75 As2 Br2 F Fe2 N2 O6 S2 -","2","1","","Kerns, Spencer A.; Seo, Junhyeok; Lynch, Vincent M.; Shearer, Jason; Goralski, Sean T.; Sullivan, Eileen R.; Rose, Michael J.","Scaffold-based [Fe]-hydrogenase model: H<sub>2</sub> activation initiates Fe(0)-hydride extrusion and non-biomimetic hydride transfer.","Chemical science","2021","12","38","12838","12846","10.1039/d0sc03154b","","","1.54184","CuKα","","0.0448","0.0417","","","0.1115","0.1151","","","","","","1.033","","","","has coordinates,has disorder","270409","2021-11-06","19:33:29",""
"1564613","8.769","0.003","11.132","0.003","15.368","0.005","95.038","0.006","102.343","0.007","110.942","0.006","1346.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H46 Br4 Cl4 Fe2 N2 S2 -","- C56 H46 Br4 Cl4 Fe2 N2 S2 -","- C56 H46 Br4 Cl4 Fe2 N2 S2 -","1","0.5","","Kerns, Spencer A.; Seo, Junhyeok; Lynch, Vincent M.; Shearer, Jason; Goralski, Sean T.; Sullivan, Eileen R.; Rose, Michael J.","Scaffold-based [Fe]-hydrogenase model: H<sub>2</sub> activation initiates Fe(0)-hydride extrusion and non-biomimetic hydride transfer.","Chemical science","2021","12","38","12838","12846","10.1039/d0sc03154b","","","0.71073","MoKα","","0.0565","0.0377","","","0.0945","0.1037","","","","","","1.031","","","","has coordinates","270409","2021-11-06","19:33:29",""
"1564614","12.14","0.0012","14.7031","0.0014","18.334","0.0017","85.196","0.008","78.2","0.008","68.001","0.009","2970.1","0.5","100.1","0.6","100.1","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C68 H50 Fe2 N6 O7 S2 -","- C68 H50 Fe2 N6 O7.005 S2 -","- C136 H100 Fe4 N12 O14.01 S4 -","2","1","","Kerns, Spencer A.; Seo, Junhyeok; Lynch, Vincent M.; Shearer, Jason; Goralski, Sean T.; Sullivan, Eileen R.; Rose, Michael J.","Scaffold-based [Fe]-hydrogenase model: H<sub>2</sub> activation initiates Fe(0)-hydride extrusion and non-biomimetic hydride transfer.","Chemical science","2021","12","38","12838","12846","10.1039/d0sc03154b","","x-ray","1.54184","CuKα","","0.1415","0.0904","","","0.2078","0.2386","","","","","","1.036","","","","has coordinates,has disorder","270409","2021-11-06","19:33:29",""
"1564615","5.9247","0.0002","10.1052","0.0004","16.3411","0.0006","90","","90","","90","","978.35","0.06","110","","110","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O6 -","- C9 H12 O6 -","- C36 H48 O24 -","4","1","","Tran, David K.; Rashad, Ahmed Z.; Darensbourg, Donald J.; Wooley, Karen L.","Sustainable synthesis of CO2-derived polycarbonates from d-xylose","Polymer Chemistry","2021","12","37","5271","5278","10.1039/D1PY00784J","","","1.54178","CuKα","","0.0224","0.0222","","","0.0562","0.0565","","","","","","1.083","","","","has coordinates","269790","2021-10-06","16:22:04",""
"1564658","9.4633","0.0005","24.9968","0.0012","14.8197","0.0008","90","","92.583","0.002","90","","3502.1","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl3 F20 O9 S3 Sb3 -","- C14 H14 Cl3 F20 O9 S3 Sb3 -","- C56 H56 Cl12 F80 O36 S12 Sb12 -","4","1","","Hoffmann, Kurt F.; Wiesner, Anja; Müller, Carsten; Steinhauer, Simon; Beckers, Helmut; Kazim, Muhammad; Pitts, Cody Ross; Lectka, Thomas; Riedel, Sebastian","Structural proof of a [C‒F‒C]+ fluoronium cation","Nature Communications","2021","12","1","5275","","10.1038/s41467-021-25592-6","","","0.71073","MoKα","","0.0247","0.0233","","","0.0528","0.0535","","","","","","1.149","","","","has coordinates,has disorder","269154","2021-09-15","18:28:06",""
"1564661","13.0208","0.0005","12.6688","0.0005","8.9165","0.0003","90","","95.368","0.001","90","","1464.4","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 I N2 O4 -","- C13 H15 I N2 O4 -","- C52 H60 I4 N8 O16 -","4","1","","Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng","Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis","Chemical Science","2021","12","35","11821","11830","10.1039/D1SC03366B","","","0.71073","MoKα","","0.0617","0.0368","","","0.061","0.0701","","","","","","1.037","","","","has coordinates","269158","2021-09-15","22:10:19",""
"1564662","12.6059","0.0014","17.029","0.002","11.5334","0.0016","90","","97.402","0.013","90","","2455.2","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H21 Cl I N3 O3 -","- C26 H21 Cl I N3 O3 -","- C104 H84 Cl4 I4 N12 O12 -","4","1","","Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng","Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis","Chemical Science","2021","12","35","11821","11830","10.1039/D1SC03366B","","x-ray","0.71073","MoKα","","0.0318","0.0287","","","0.0622","0.0643","","","","","","1.044","","","","has coordinates","269158","2021-09-15","22:10:19",""
"1564663","24.5244","0.0015","25.6507","0.0014","10.3465","0.0006","90","","90","","90","","6508.7","0.7","100.01","0.11","100.01","0.11","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41.5 H36 Cl N O2 -","- C41.5 H36 Cl N O2 -","- C332 H288 Cl8 N8 O16 -","8","2","","Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng","Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis","Chemical Science","2021","12","35","11821","11830","10.1039/D1SC03366B","","x-ray","0.71073","MoKα","","0.108","0.0816","","","0.1976","0.2232","","","","","","1.034","","","","has coordinates","269158","2021-09-15","22:10:20",""
"1564891","13.4173","0.0007","15.6707","0.0007","18.5278","0.0008","84.761","0.004","70.245","0.004","89.96","0.004","3649.1","0.3","298","","298","","","","","","","","","8","P -1","-P 1","2","","","","- C67 H58 B Cl2 F29 N P Pd -","- C67 H58 B Cl2 F29 N P Pd -","- C134 H116 B2 Cl4 F58 N2 P2 Pd2 -","2","1","","Pérez-Ortega, Ignacio; Albéniz, Ana C.","Highly efficient vinylic addition polymerization of 5-vinyl-2-norbornene using benzylic palladium complexes as precatalysts","Polymer Chemistry","2021","12","41","5963","5969","10.1039/D1PY01165K","","","0.71073","MoKα","","0.091","0.0506","","","0.1067","0.1345","","","","","","1.013","","","","has coordinates,has disorder","270516","2021-11-06","20:48:52",""
"1564892","10.3004","0.0006","13.2588","0.0007","16.2684","0.0014","109.041","0.006","91.911","0.006","107.037","0.005","1987.5","0.3","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H44 B F9 N P Pd -","- C34 H44 B F9 N P Pd -","- C68 H88 B2 F18 N2 P2 Pd2 -","2","1","","Pérez-Ortega, Ignacio; Albéniz, Ana C.","Highly efficient vinylic addition polymerization of 5-vinyl-2-norbornene using benzylic palladium complexes as precatalysts","Polymer Chemistry","2021","12","41","5963","5969","10.1039/D1PY01165K","","","0.71073","MoKα","","0.0965","0.0547","","","0.098","0.1218","","","","","","1.005","","","","has coordinates,has disorder","270516","2021-11-06","20:48:52",""
"1564903","15.6119","0.0002","13.3664","0.0002","8.8742","0.0001","90","","98.224","0.001","90","","1832.78","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N3 O3 -","- C23 H15 N3 O3 -","- C92 H60 N12 O12 -","4","1","","Galukhin, Andrey; Nikolaev, Ilya; Nosov, Roman; Islamov, Daut; Vyazovkin, Sergey","Solvent-induced changes in the reactivity of tricyanate esters undergoing thermal polymerization","Polymer Chemistry","2021","12","42","6179","6187","10.1039/D1PY01088C","","x-ray","1.54184","CuKα","","0.0428","0.0395","","","0.131","0.1355","","","","","","1.093","","","","has coordinates","270517","2021-11-06","20:49:00",""
"1564904","31.961","0.002","12.0016","0.0008","18.5133","0.0013","90","","125.042","0.001","90","","5814.1","0.7","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 Br2 Cl4 N2 Ni -","- C64 H64 Br2 Cl4 N2 Ni -","- C256 H256 Br8 Cl16 N8 Ni4 -","4","0.5","","Wang, Beibei; Liu, Heng; Zhang, Chunyu; Tang, Tao; Zhang, Xuequan","Propylene homopolymerization and copolymerization with ethylene by acenaphthene-based α-diimine nickel complexes to access EPR-like elastomers","Polymer Chemistry","2021","12","43","6307","6318","10.1039/D1PY00923K","","","0.71073","MoKα","","0.0686","0.0535","","","0.1523","0.1639","","","","","","1.042","","","","has coordinates","271233","2021-12-07","04:01:52",""
"1564905","29.143","0.004","12.407","0.002","17.891","0.003","90","","119.38","0.004","90","","5637","1.5","207","2","207","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 Br N Ni0.5 -","- C31 H24 Br N Ni0.5 -","- C248 H192 Br8 N8 Ni4 -","8","1","","Wang, Beibei; Liu, Heng; Zhang, Chunyu; Tang, Tao; Zhang, Xuequan","Propylene homopolymerization and copolymerization with ethylene by acenaphthene-based α-diimine nickel complexes to access EPR-like elastomers","Polymer Chemistry","2021","12","43","6307","6318","10.1039/D1PY00923K","","","0.71073","MoKα","","0.1023","0.0627","","","0.1689","0.1856","","","","","","1.106","","","","has coordinates","271233","2021-12-07","04:01:52",""
"1564908","6.524","0.008","8.428","0.01","13.854","0.015","90","","97.68","0.03","90","","754.9","1.5","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C34 H46 N2 O4 -","2","1","","Bermesheva, Evgeniya V.; Nazarov, Ivan V.; Kataranova, Ksenia D.; Khrychikova, Anna P.; Zarezin, Danil P.; Melnikova, Elizaveta K.; Asachenko, Andrey F.; Topchiy, Maxim A.; Rzhevskiy, Sergey A.; Bermeshev, Maxim V.","Cocatalyst versus precatalyst impact on the vinyl-addition polymerization of norbornenes with polar groups: looking at the other side of the coin","Polymer Chemistry","2021","12","43","6355","6362","10.1039/D1PY01039E","","","0.71073","MoKα","","0.0442","0.0398","","","0.1001","0.104","","","","","","1.033","","","","has coordinates","271234","2021-12-07","04:01:59",""
"1564909","5.4891","0.0001","10.9586","0.0003","24.8426","0.0006","90","","90","","90","","1494.35","0.06","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Bermesheva, Evgeniya V.; Nazarov, Ivan V.; Kataranova, Ksenia D.; Khrychikova, Anna P.; Zarezin, Danil P.; Melnikova, Elizaveta K.; Asachenko, Andrey F.; Topchiy, Maxim A.; Rzhevskiy, Sergey A.; Bermeshev, Maxim V.","Cocatalyst versus precatalyst impact on the vinyl-addition polymerization of norbornenes with polar groups: looking at the other side of the coin","Polymer Chemistry","2021","12","43","6355","6362","10.1039/D1PY01039E","","","1.54178","CuKα","","0.0286","0.0278","","","0.0693","0.0699","","","","","","1.059","","","","has coordinates","271234","2021-12-07","04:02:00",""
"1565172","7.918","0.0002","17.8","0.0005","14.7128","0.0005","90","","95.2089","0.0014","90","","2065.06","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Br N4 O2 Ru -","- C20 H23 Br N4 O2 Ru -","- C80 H92 Br4 N16 O8 Ru4 -","4","1","","Illam, Praseetha Mathoor; Rit, Arnab","Electronically tuneable orthometalated RuII–NHC complexes as efficient catalysts for C–C and C–N bond formations via borrowing hydrogen strategy","Catalysis Science & Technology","2022","12","1","67","74","10.1039/D1CY01767E","","","0.71073","MoKα","","0.0407","0.028","","","0.0561","0.06","","","","","","1.055","","","","has coordinates","272554","2022-02-04","19:03:09",""
"1565173","5.446","0.0006","5.7605","0.0008","4.9406","0.0006","90","","90","","90","","154.99","0.03","296","2","296","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- H4 N2 O3 -","- H4 N2 O3 -","- H8 N4 O6 -","2","0.25","","Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.","Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant","Catalysis Science & Technology","2022","12","1","282","299","10.1039/D1CY01991K","","","0.71073","MoKα","","0.0512","0.0458","","","0.1094","0.1114","","","","","","1.268","","","","has coordinates","272555","2022-02-04","19:03:18",""
"1565174","17.5321","0.0014","17.5321","0.0014","10.9885","0.001","90","","90","","120","","2925.1","0.4","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C19 H25 Co N2 O6 -","- C19 H25 Co N2 O6 -","- C114 H150 Co6 N12 O36 -","6","1","","Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.","Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant","Catalysis Science & Technology","2022","12","1","282","299","10.1039/D1CY01991K","","","0.71073","MoKα","","0.0903","0.0512","","","0.0983","0.1081","","","","","","1.028","","","","has coordinates,has disorder","272555","2022-02-04","19:03:18",""
"1565270","8.7126","0.001","10.0034","0.0012","11.8736","0.0014","69.381","0.002","80.082","0.002","76.862","0.002","938.37","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 B F2 N5 O -","- C18 H24 B F2 N5 O -","- C36 H48 B2 F4 N10 O2 -","2","1","","Strasser, Paul; Russo, Marina; Stadler, Pauline; Breiteneder, Patrick; Redhammer, Günther; Himmelsbach, Markus; Brüggemann, Oliver; Monkowius, Uwe; Klán, Petr; Teasdale, Ian","Green-light photocleavable meso-methyl BODIPY building blocks for macromolecular chemistry","Polymer Chemistry","2021","12","47","6927","6936","10.1039/D1PY01245B","","x-ray","0.71073","MoKα","","0.0951","0.0583","","","0.159","0.1899","","","","","","1.02","","","","has coordinates","271876","2022-01-06","22:04:17",""
"1565271","17.1373","0.0013","11.7136","0.0009","20.6062","0.0015","90","","99.046","0.001","90","","4085","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H27 B F2 N2 O2 -","- C20 H27 B F2 N2 O2 -","- C160 H216 B8 F16 N16 O16 -","8","1","","Strasser, Paul; Russo, Marina; Stadler, Pauline; Breiteneder, Patrick; Redhammer, Günther; Himmelsbach, Markus; Brüggemann, Oliver; Monkowius, Uwe; Klán, Petr; Teasdale, Ian","Green-light photocleavable meso-methyl BODIPY building blocks for macromolecular chemistry","Polymer Chemistry","2021","12","47","6927","6936","10.1039/D1PY01245B","","x-ray","0.71073","MoKα","","0.0886","0.0666","","","0.1935","0.2163","","","","","","1.067","","","","has coordinates","271876","2022-01-06","22:04:18",""
"1565488","10.0784","0.0003","11.7543","0.0003","30.5885","0.0007","90","","90","","90","","3623.65","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 N2 O P2 -","- C43 H44 N2 O P2 -","- C172 H176 N8 O4 P8 -","4","1","","Chakrabortty, Soumyadeep; Konieczny, Katharina; Müller, Bernd H.; Spannenberg, Anke; Kamer, Paul C. J.; de Vries, Johannes G.","Betti base derived P-stereogenic phosphine-diamidophosphite ligands with a single atom spacer and their application in asymmetric catalysis","Catalysis Science & Technology","2022","12","5","1392","1399","10.1039/D1CY02017J","","","1.54178","CuKα","","0.0247","0.0246","","","0.0645","0.0646","","","","","","1.058","","","","has coordinates","274938","2022-05-05","20:17:57",""
"1565975","15.755","0.0003","25.4335","0.0004","21.5604","0.0004","90","","92.253","0.001","90","","8632.7","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C113 H252 F4 N6 O71 V24 -","- C113 H252 F4 N6 O71 V24 -","- C226 H504 F8 N12 O142 V48 -","2","0.5","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.0435","0.0358","","","0.0882","0.0925","","","","","","1.025","","","","has coordinates,has disorder","274936","2022-05-05","20:17:34",""
"1565976","17.7995","0.0004","23.6442","0.0005","20.9424","0.0004","90","","91.945","0.001","90","","8808.6","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H126 F2 N4 O34 V12 -","- C59 H126 F2 N4 O34 V12 -","- C236 H504 F8 N16 O136 V48 -","4","1","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.0773","0.0559","","","0.1338","0.1455","","","","","","1.05","","","","has coordinates,has disorder","274936","2022-05-05","20:17:35",""
"1565977","17.199","0.0004","21.6914","0.0005","54.059","0.0012","90","","90","","90","","20167.8","0.8","90","2","90","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C52 H117 F2 N3 O32 V12 -","- C52 H117 F2 N3 O32 V12 -","- C416 H936 F16 N24 O256 V96 -","8","2","","Kikukawa, Yuji; Sakamoto, Yui; Hirasawa, Hikari; Kurimoto, Yushi; Iwai, Hiroya; Hayashi, Yoshihito","Synthesis and oxidation catalysis of a difluoride-incorporated polyoxovanadate and isolation of active vanadium alkylperoxo species","Catalysis Science & Technology","2022","12","8","2438","2445","10.1039/D1CY02103F","","","1.54178","CuKα","","0.1321","0.0905","","","0.2017","0.2254","","","","","","1.057","","","","has coordinates","274936","2022-05-05","20:17:35",""
"1566036","9.9153","0.0008","9.376","0.0006","9.8044","0.0009","90","","118.365","0.003","90","","802.04","0.11","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca3 Cs2 O16 S4 -","- Ca3 Cs2 O16 S4 -","- Ca6 Cs4 O32 S8 -","2","0.5","","Fang, Penglin; Tang, Wenyue; Shen, Yaoguo; Hong, Jinquan; Li, Yongming; Jia, Junrong","Crystal Structure and Theoretical Analysis of Cs2Ca3(SO4)4","Crystals","2022","12","2","126","","10.3390/cryst12020126","","","0.71073","MoKα","","0.0521","0.0438","","","0.0832","0.0864","","","","","","1.246","","","","has coordinates","272126","2022-01-19","09:06:20",""
"1566090","14.06525","0.00017","25.1567","0.0004","13.9309","0.0002","90","","100.051","0.0014","90","","4853.59","0.12","160","1","160","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl N4 O5 P Ru -","- C21 H16 Cl N4 O5 P Ru -","- C168 H128 Cl8 N32 O40 P8 Ru8 -","8","1","","Bühler, Jan; Zurflüh, Jonas; Siol, Sebastian; Blacque, Olivier; Sévery, Laurent; Tilley, S. David","Electrochemical ruthenium-catalysed C–H activation in water through heterogenization of a molecular catalyst","Catalysis Science & Technology","2022","12","5","1512","1519","10.1039/D1CY01999F","","x-ray","1.54184","CuKα","","0.0623","0.0518","","","0.1359","0.1444","","","","","","1.043","","","","has coordinates","274939","2022-05-05","20:18:05",""
"1566239","39.433","0.003","39.433","0.003","16.2564","0.0005","90","","90","","120","","21891","2","200.15","","200.15","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C45.27 H22 Al Cl2 Cr0.18 O15.33 Zr3 -","- C45.26 H22 Al Cl2 Cr0.184 O15.3334 Zr3 -","- C271.56 H132 Al6 Cl12 Cr1.104 O92.0004 Zr18 -","6","0.25","","Goetjen, Timothy A.; Knapp, Julia G.; Syed, Zoha H.; Hackler, Ryan A.; Zhang, Xuan; Delferro, Massimiliano; Hupp, Joseph T.; Farha, Omar K.","Ethylene polymerization with a crystallographically well-defined metal–organic framework supported catalyst","Catalysis Science & Technology","2022","12","5","1619","1627","10.1039/D1CY01990B","","x-ray","1.54184","CuKα","","0.1033","0.0859","","","0.2454","0.2678","","","","","","1.021","","","","has coordinates,has disorder","274937","2022-05-05","20:17:48",""
"1566376","7.3409","0.0003","8.2378","0.0003","14.1911","0.0006","77.242","0.001","85.133","0.002","77.261","0.001","815.8","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 Cl2 Co N3 O -","- C15 H19 Cl2 Co N3 O -","- C30 H38 Cl4 Co2 N6 O2 -","2","1","","Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar","Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts","Catalysis Science & Technology","2022","12","6","1843","1849","10.1039/D2CY00027J","","","0.71073","MoKα","","0.0193","0.0184","","","0.0467","0.0475","","","","","","1.029","","","","has coordinates","274940","2022-05-05","20:18:26",""
"1566377","16.65","0.0009","24.8705","0.0012","7.9667","0.0005","90","","90.49","0.002","90","","3298.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Cl2 Co N3 -","- C15 H21 Cl2 Co N3 -","- C120 H168 Cl16 Co8 N24 -","8","2","","Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar","Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts","Catalysis Science & Technology","2022","12","6","1843","1849","10.1039/D2CY00027J","","","0.71073","MoKα","","0.0481","0.0439","","","0.0834","0.0855","","","","","","1.132","","","","has coordinates","274940","2022-05-05","20:18:27",""
"1566575","6.9863","0.0003","23.7443","0.0011","10.6564","0.0005","90","","100.456","0.001","90","","1738.38","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Co N2 O12 -","- C14 H16 Co N2 O12 -","- C56 H64 Co4 N8 O48 -","4","1","","Xia, Zhengyao; Li, Yan; Ji, Cheng; Jiang, Yucheng; Ma, Chunlan; Gao, Ju; Zhang, Jinlei","Slow-Relaxation Behavior of a Mononuclear Co(II) Complex Featuring Long Axial Co-O Bond.","Nanomaterials (Basel, Switzerland)","2022","12","4","707","","10.3390/nano12040707","","","0.71073","MoKα","","0.0334","0.0278","","","0.0646","0.0667","","","","","","1.085","","","","has coordinates","273460","2022-03-05","19:56:06",""
"1566653","8.61942","0.00007","8.61942","","5.59301","0.00008","90","","90","","90","","415.529","0.007","","","","","","","","","","","","2","P -4","P -4","81","Ice XIX","","","- D2 O -","- D1.9992 O -","- D39.984 O20 -","20","5","","Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.","Experimental evidence for the existence of a second partially-ordered phase of ice VI","Nature Communications","2021","12","","1129","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273847","2022-03-20","11:55:53",""
"1566654","8.6278","0.0004","8.6114","0.0004","5.59299","0.00008","90","","90","","90","","415.54","0.03","","","","","","","","","","","","2","P c c 2","P 2 -2c","27","Ice XIX","","","- D2 O -","- D2 O -","- D40 O20 -","20","5","","Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.","Experimental evidence for the existence of a second partially-ordered phase of ice VI","Nature Communications","2021","12","","1129","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273848","2022-03-20","11:56:48",""
"1566655","8.834721","0.000033","8.834721","0.000033","5.75542","0.00005","90","","90","","90","","449.224","0.005","","","","","","","","","","","","2","P -4","P -4","81","ice XIX","","","- D2 O -","- D2 O -","- D40 O20 -","20","5","","Gasser, T. M.; Thoeny, A. V.; Fortes, A. D.; Loerting, T.","Structural characterization of ice XIX as the second polymorph related to ice VI","Nature Communications","2021","12","","1128","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273851","2022-03-21","00:29:09",""
"1566656","8.3966","0.0003","5.4546","0.0001","8.3737","0.0003","90","","90","","90","","383.52","0.02","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- D2 O -","- D2 O -","- D40 O20 -","20","2.5","","Salzmann, C. G.; Loveday, J. S.; Rosu-Finsen, A.; Bull, C. L.","Structure and nature of ice XIX","Nature Communications","2021","12","","3162","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273852","2022-03-21","01:01:58",""
"1566663","12.6529","0.0005","18.7504","0.0006","15.5836","0.0005","90","","90","","90","","3697.2","0.2","104.9","","104.9","","","","","","","","","8","P c a 21","P 2c -2ac","29","","Potassium (hydrido carbonyl dimethylsulfoxido N,Nï>?-bis(diphenylphosphino)-2,6-diamidopyridino ruthenate (II))","","- C36 H37 K N3 O3 P2 Ru S -","- C36 H37 K N3 O3 P2 Ru S -","- C144 H148 K4 N12 O12 P8 Ru4 S4 -","4","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","x-ray","1.54178","CuKα","","0.06","0.0521","","","0.1374","0.1467","","","","","","1.031","","","","has coordinates,has disorder","275779","2022-06-06","01:37:49",""
"1566664","14.8971","0.0003","22.753","0.0004","28.6172","0.0004","90","","100.332","0.0006","90","","9542.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H83 N6 O3 P6 Ru2 -","- C100 H83 N6 O3 P6 Ru2 -","- C400 H332 N24 O12 P24 Ru8 -","4","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","","0.71073","MoKα","","0.05","0.043","","","0.0975","0.102","","","","","","1.038","","","","has coordinates,has disorder","275779","2022-06-06","01:38:01",""
"1566665","25.849","0.005","19.5041","0.0003","21.0152","0.0004","90","","90","","90","","10595","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C51 H48 Cl N4 O2 P3 Ru -","- C51 H48 Cl N4 O2 P3 Ru -","- C408 H384 Cl8 N32 O16 P24 Ru8 -","8","1","","Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.","Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation","Catalysis Science & Technology","2022","12","9","2972","2977","10.1039/D2CY00485B","","","0.71073","MoKα","","0.0343","0.0277","","","0.0673","0.0704","","","","","","1.023","","","","has coordinates","275779","2022-06-06","01:38:01",""
"1566680","9.9652","0.0003","18.349","0.0005","23.3602","0.0009","90","","96.462","0.003","90","","4244.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H47 Co O3 P2 -","- C50.5 H47 Co O3 P2 -","- C202 H188 Co4 O12 P8 -","4","1","","Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton","Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries","Catalysis Science & Technology","2022","12","10","3219","3227","10.1039/D1CY01754C","","","0.71075","MoKα","","0.1079","0.0512","","","0.1233","0.1468","","","","","","1.009","","","","has coordinates,has disorder","275775","2022-06-06","01:36:45",""
"1566681","10.8578","0.0008","11.6947","0.0009","17.4282","0.0013","106.744","0.003","95.84","0.003","112.496","0.003","1900.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H32 Co2 O7 P2 -","- C45 H32 Co2 O7 P2 -","- C90 H64 Co4 O14 P4 -","2","1","","Martínez-Carrión, Alicia; Romero-Navarro, Andrés; Núñez-Rico, José Luis; Gutiérrez, Albert; Grabulosa, Arnald; Vidal-Ferran, Anton","Valorisation of mixtures of linear alkenes using cobalt-mediated isomerisation and hydroformylation chemistries","Catalysis Science & Technology","2022","12","10","3219","3227","10.1039/D1CY01754C","","","0.71073","MoKα","","0.0375","0.0292","","","0.0719","0.0782","","","","","","1.034","","","","has coordinates","275775","2022-06-06","01:36:46",""
"1566688","15.262","0.0006","12.8154","0.0005","20.9917","0.0008","90","","108.535","0.0016","90","","3892.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29.4 H40.8 Cl8.8 N2 P2 Pd -","- C29.4 H40.8 Cl8.8 N2 P2 Pd -","- C117.6 H163.2 Cl35.2 N8 P8 Pd4 -","4","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0395","0.0317","","","0.0781","0.0837","","","","","","1.043","","","","has coordinates,has disorder","275777","2022-06-06","01:37:18",""
"1566689","9.1591","0.0008","11.3142","0.001","15.1394","0.0014","103.273","0.002","102.525","0.002","105.201","0.002","1408","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 B2 N2 P2 -","- C26 H40 B2 N2 P2 -","- C52 H80 B4 N4 P4 -","2","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0361","0.0328","","","0.0882","0.0919","","","","","","1.034","","","","has coordinates","275777","2022-06-06","01:37:19",""
"1566690","11.2734","0.0007","12.1729","0.0007","13.5903","0.0008","73.9005","0.0013","72.8892","0.0013","73.6404","0.0012","1671.4","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H34 F6 N2 O6 P2 Pd S2 -","- C28 H34 F6 N2 O6 P2 Pd S2 -","- C56 H68 F12 N4 O12 P4 Pd2 S4 -","2","1","","Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias","(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes","Catalysis Science & Technology","2022","12","10","3175","3189","10.1039/D0CY02248A","","","0.71073","MoKα","","0.0207","0.0201","","","0.0501","0.0506","","","","","","1.027","","","","has coordinates","275777","2022-06-06","01:37:19",""
"1566769","17.3","0.003","17.4","","18.975","0.003","90","","90","","90","","5711.9","1.3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H28 Bi N4 O9 -","- C48 H28 Bi N4 O9 -","- C192 H112 Bi4 N16 O36 -","4","1","","Xie, Dale; Wang, Sheng; Li, Shihao; Yang, Wenqing; Feng, Yi-Si","A two-dimensional Bi-based porphyrin metal–organic framework photocatalyst for white light-driven selective oxidation of sulfides","Catalysis Science & Technology","2022","12","10","3254","3260","10.1039/D2CY00387B","","x-ray","0.71073","MoKα","","0.0786","0.0474","","","0.0899","0.0964","","","","","","0.719","","","","has coordinates","275776","2022-06-06","01:37:08",""
"1566791","11.4082","0.0016","13.035","0.002","14.939","0.002","66.497","0.006","68.941","0.006","83.213","0.007","1900.3","0.5","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C38 H63 In N2 O3 -","- C38 H63 In N2 O3 -","- C76 H126 In2 N4 O6 -","2","1","","Bruckmoser, Jonas; Henschel, Daniel; Vagin, Sergei; Rieger, Bernhard","Combining high activity with broad monomer scope: indium salan catalysts in the ring-opening polymerization of various cyclic esters","Catalysis Science & Technology","2022","12","10","3295","3302","10.1039/D2CY00436D","","x-ray","0.71073","MoKα","","0.051","0.0418","","","0.1004","0.1049","","","","","","0.997","","","","has coordinates","275778","2022-06-06","01:37:27",""
"1567084","11.9522","0.0003","13.5271","0.0004","14.8191","0.0005","90","","104.592","0.003","90","","2318.65","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Cl10 Cr2 N10 P4 -","- C24 H58 Cl10 Cr2 N10 P4 -","- C48 H116 Cl20 Cr4 N20 P8 -","2","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0534","0.041","","","0.0929","0.1015","","","","","","1.042","","","","has coordinates,has disorder","277087","2022-08-06","11:33:45",""
"1567085","9.9307","0.0003","17.6625","0.0006","22.0161","0.001","90","","90","","90","","3861.6","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C32 H72 Cr2 Li4 O4 -","- C32 H72 Cr2 Li4 O4 -","- C128 H288 Cr8 Li16 O16 -","4","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0981","0.0619","","","0.1525","0.1775","","","","","","1.062","","","","has coordinates,has disorder","277087","2022-08-06","11:33:46",""
"1567086","9.3625","0.0003","12.7925","0.0003","19.2108","0.0005","90","","96.406","0.003","90","","2286.51","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Cl10 Cr2 N10 P4 -","- C24 H58 Cl10 Cr2 N10 P4 -","- C48 H116 Cl20 Cr4 N20 P8 -","2","0.5","","Lo, Quintin; Pye, Dominic; Gesslbauer, Sami; Sim, Ying; García, Felipe; White, Andrew J. P.; Britovsek, George J. P.","Single- and double-bridged PNP ligands in chromium-catalysed ethylene oligomerisation","Catalysis Science & Technology","2022","12","14","4544","4551","10.1039/D2CY00550F","","","0.71073","MoKα","","0.0583","0.0467","","","0.1067","0.1121","","","","","","1.115","","","","has coordinates,has disorder","277087","2022-08-06","11:33:46",""
"1567159","9.7214","0.0018","12.92","0.002","17.269","0.003","77.514","0.005","83.542","0.006","79.876","0.006","2078.5","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H37 Co N5 P -","- C56 H37 Co N5 P -","- C112 H74 Co2 N10 P2 -","2","1","","Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang","Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles","Catalysis Science & Technology","2022","12","16","5125","5135","10.1039/D2CY00606E","","","0.71073","MoKα","","0.1912","0.081","","","0.1323","0.1739","","","","","","1.03","","","","has coordinates","277649","2022-09-06","09:44:34",""
"1567160","14.3899","0.0007","16.2551","0.0008","19.6213","0.0009","91.265","0.002","108.634","0.002","94.679","0.002","4328.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H36 Co N6 P -","- C57 H36 Co N6 P -","- C228 H144 Co4 N24 P4 -","4","2","","Liu, Zheng-Yan; Lai, Jia-Wei; Yang, Gang; Ren, Bao-Ping; Lv, Zhou-Yan; Si, Li-Ping; Zhang, Hao; Liu, Hai-Yang","Electrocatalytic hydrogen production by CN– substituted cobalt triaryl corroles","Catalysis Science & Technology","2022","12","16","5125","5135","10.1039/D2CY00606E","","","0.71073","MoKα","","0.1385","0.0812","","","0.1866","0.2263","","","","","","1.018","","","","has coordinates,has disorder","277649","2022-09-06","09:45:17",""
"1567179","15.1207","","5.2004","","7.6325","","90","","95.5358","","90","","597.372","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 Pb S2 -","- C12 H10 O2 Pb S2 -","- C24 H20 O4 Pb2 S4 -","2","0.5","","Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei","Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines","Catalysis Science & Technology","2022","12","15","4851","4856","10.1039/D2CY00797E","powder diffraction","x-ray","1.54059","CuKα1","","0.0598","0.0557","","0.0637","0.0627","","","","1","","","","","","","has coordinates","277088","2022-08-06","11:33:55",""
"1567180","7.4789","0.0007","5.2068","0.0005","17.4623","0.0016","90","","93.3828","0.0019","90","","678.82","0.11","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Pb S2 -","- C6 H4 Pb S2 -","- C24 H16 Pb4 S8 -","4","1","","Li, Yang; Cheng, Xiuyan; Li, Ze; Jin, Yigang; Sun, Yimeng; Zou, Ye; Liu, Liyao; Duan, Ran; Zhang, Jianling; Xu, Wei","Two highly crystalline coordination polymers with two-dimensional PbS networks for photocatalytic synthesis of imines","Catalysis Science & Technology","2022","12","15","4851","4856","10.1039/D2CY00797E","powder diffraction","x-ray","1.54059","CuKα","","0.018","0.0179","","0.0218","0.0217","","","","0.88","","","","","","","has coordinates","277088","2022-08-06","11:33:55",""
"1567274","5.5106","0.0002","7.7117","0.0003","9.6692","0.0003","70.09","0.001","86.972","0.001","85.438","0.001","384.97","0.02","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H15 F2 N O -","- C19 H15 F2 N O -","- C19 H15 F2 N O -","1","1","","Liu, Zhen; Wei, Yin; Shi, Min","A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes","Catalysis Science & Technology","2022","12","17","5325","5331","10.1039/D2CY01067D","","","0.71073","MoKα","","0.0334","0.031","","","0.0783","0.0809","","","","","","1.036","","","","has coordinates","277648","2022-09-06","09:42:54",""
"1567275","11.9237","0.0004","10.5309","0.0004","12.4165","0.0003","90","","114.482","0.001","90","","1418.93","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F2 N O -","- C17 H17 F2 N O -","- C68 H68 F8 N4 O4 -","4","1","","Liu, Zhen; Wei, Yin; Shi, Min","A concise method for cyclic gem-difluoroacyl scaffolds via visible-light-mediated redox-neutral cascade radical cyclization of alkenes","Catalysis Science & Technology","2022","12","17","5325","5331","10.1039/D2CY01067D","","","0.71073","MoKα","","0.0577","0.0427","","","0.1043","0.1166","","","","","","1.054","","","","has coordinates","277648","2022-09-06","09:43:43",""
"1567424","11.3315","0.0007","12.2669","0.0008","14.2038","0.001","77.65","0.003","88.094","0.003","75.63","0.002","1867.9","0.2","100","","100","","","","","","","","see text","8","P 1","P 1","1","","","","- C66 H81 Br Cl12 N4 O2 P2 Ru -","- C66 H81 Br Cl12 N4 O2 P2 Ru -","- C66 H81 Br Cl12 N4 O2 P2 Ru -","1","1","","Böth, Alexander D.; Sauer, Michael J.; Baratta, Walter; Kühn, Fritz E.","Abnormal NHC ruthenium catalysts: mechanistic investigations of their preparation and steric influence on catalytic performance","Catalysis Science & Technology","2022","12","18","5597","5603","10.1039/D2CY01036D","","x-ray","0.71073","MoKα","","0.0369","0.0359","","","0.0961","0.0973","","","","","","1.058","","","","has coordinates,has disorder","278393","2022-10-07","00:37:23",""
"1567430","11.6876","0.001","24.898","0.003","13.833","0.002","90","","90","","90","","4025.4","0.8","220","2","220","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H13 N O Si -","- C8 H13 N O Si -","- C128 H208 N16 O16 Si16 -","16","2","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0478","0.0419","","","0.1136","0.1205","","","","","","1.074","","","","has coordinates","277147","2022-08-06","19:38:02",""
"1567431","6.6079","0.0007","7.2078","0.0006","11.1025","0.0012","90","","97.954","0.009","90","","523.71","0.09","220","2","220","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H13 N S Si -","- C8 H13 N S Si -","- C16 H26 N2 S2 Si2 -","2","0.5","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0354","0.033","","","0.0914","0.0948","","","","","","1.106","","","","has coordinates","277147","2022-08-06","19:38:02",""
"1567432","12.7881","0.0006","10.7211","0.0006","18.6634","0.0008","90","","90.247","0.004","90","","2558.8","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 Si -","- C12 H14 N2 O2 Si -","- C96 H112 N16 O16 Si8 -","8","2","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0849","0.046","","","0.0965","0.1112","","","","","","1.045","","","","has coordinates","277147","2022-08-06","19:38:03",""
"1567433","9.7145","0.0004","11.5896","0.0005","12.9509","0.0006","73.601","0.003","89.903","0.003","85.998","0.003","1395.13","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 S2 Si -","- C12 H14 N2 S2 Si -","- C48 H56 N8 S8 Si4 -","4","2","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.031","0.0293","","","0.0779","0.0793","","","","","","1.058","","","","has coordinates","277147","2022-08-06","19:38:03",""
"1567434","6.1626","0.0002","8.8822","0.0003","26.4639","0.0009","88.692","0.003","88.561","0.003","81.453","0.003","1431.76","0.08","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H18 N2 O2 Si -","- C22 H18 N2 O2 Si -","- C66 H54 N6 O6 Si3 -","3","3","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0443","0.0389","","","0.1002","0.1061","","","","","","1.057","","","","has coordinates,has disorder","277147","2022-08-06","19:38:03",""
"1567435","9.4763","0.0008","10.2415","0.0008","11.1044","0.0008","96.698","0.006","114.442","0.006","90.107","0.006","972.92","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N2 S2 Si -","- C22 H18 N2 S2 Si -","- C44 H36 N4 S4 Si2 -","2","1","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0367","0.0313","","","0.0794","0.0837","","","","","","1.102","","","","has coordinates","277147","2022-08-06","19:38:03",""
"1567436","12.3581","0.0004","12.704","0.0004","12.5693","0.0004","90","","90.262","0.002","90","","1973.33","0.11","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 S2 Si -","- C22 H18 N2 S2 Si -","- C88 H72 N8 S8 Si4 -","4","1","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0533","0.0389","","","0.0847","0.0905","","","","","","1.042","","","","has coordinates","277147","2022-08-06","19:38:03",""
"1567437","10.9877","0.0005","19.5766","0.0009","9.7361","0.0005","90","","97.501","0.004","90","","2076.33","0.17","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 S2 Si -","- C22 H18 N2 S2 Si -","- C88 H72 N8 S8 Si4 -","4","0.5","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.069","0.0429","","","0.0913","0.1001","","","","","","1.081","","","","has coordinates","277147","2022-08-06","19:38:03",""
"1567438","9.7034","0.0009","11.2023","0.0009","13.2853","0.0013","73.607","0.007","72.232","0.007","82.511","0.007","1317.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 S2 Si -","- C25.5 H22 N2 S2 Si -","- C51 H44 N4 S4 Si2 -","2","1","","Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg","Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution","Crystals","2022","12","8","1054","","10.3390/cryst12081054","","","0.71073","MoKα","","0.0563","0.0365","","","0.0861","0.0929","","","","","","1.043","","","","has coordinates,has disorder","277147","2022-08-06","19:38:03",""
"1567446","20.6047","0.0009","11.4378","0.0005","10.1417","0.0005","90","","92.408","0.004","90","","2388.01","0.19","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N2 O2 -","- C29 H33 N2 O2 -","- C116 H132 N8 O8 -","4","1","","Yang, Zhi-Wen; Chen, Jin-Mei; Qiu, Li-Qi; Xie, Wen-Jun; He, Liang-Nian","Solar energy-driven electrolysis with molecular catalysts for the reduction of carbon dioxide coupled with the oxidation of 5-hydroxymethylfurfural","Catalysis Science & Technology","2022","12","18","5495","5500","10.1039/D2CY01195F","","x-ray","0.71073","MoKα","","0.0873","0.0649","","","0.1663","0.176","","","","","","1.018","","","","has coordinates","278394","2022-10-07","00:37:31",""
"1567491","23.213","0.005","6.0771","0.0002","30.525","0.006","90","","151.09","0.05","90","","2082","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl2 N2 O2 S -","- C22 H20 Cl2 N2 O2 S -","- C88 H80 Cl8 N8 O8 S4 -","4","1","","Gurung, Bikram; Pradhan, Sajan; Sharma, Debesh; Bhujel, Deshaj; Basel, Siddhant; Chettri, Shivanand; Rasaily, Sagarmani; Pariyar, Anand; Tamang, Sudarsan","CsPbBr3 perovskite quantum dots as a visible light photocatalyst for cyclisation of diamines and amino alcohols: an efficient approach to synthesize imidazolidines, fused-imidazolidines and oxazolidines","Catalysis Science & Technology","2022","12","19","5891","5898","10.1039/D2CY00799A","","","1.54184","CuKα","","0.069","0.0585","","","0.1673","0.1886","","","","","","1.039","","","","has coordinates","278391","2022-10-07","00:37:04",""
"1567535","9.7337","0.001","6.0539","0.0006","21.73","0.002","90","","101.532","0.003","90","","1254.6","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H26 N4 O2 Zn -","- C28 H26 N4 O2 Zn -","- C56 H52 N8 O4 Zn2 -","2","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.0416","0.0388","","","0.1045","0.1071","","","","","","1.089","","","","has coordinates","278958","2022-11-07","05:03:52",""
"1567536","9.911","0.003","6.0729","0.0009","27.229","0.004","90","","93.877","0.016","90","","1635.1","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H36 N4 O2 Zn -","- C36 H36 N4 O2 Zn -","- C72 H72 N8 O4 Zn2 -","2","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.071","0.0564","","","0.1526","0.1665","","","","","","1.039","","","","has coordinates,has disorder","278958","2022-11-07","05:03:52",""
"1567537","27.956","0.007","5.988","0.0014","19.792","0.01","90","","123.7","0.03","90","","2756.4","1.9","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 N4 O4 Zn -","- C30 H30 N4 O4 Zn -","- C120 H120 N16 O16 Zn4 -","4","0.5","","D'Aniello, Sara; Laviéville, Sidonie; Santulli, Federica; Simon, Malaury; Sellitto, Michele; Tedesco, Consiglia; Thomas, Christophe M.; Mazzeo, Mina","Homoleptic phenoxy-imine pyridine zinc complexes: efficient catalysts for solvent free synthesis and chemical degradation of polyesters","Catalysis Science & Technology","2022","12","20","6142","6154","10.1039/D2CY01092E","","","1.54178","CuKα","","0.0386","0.036","","","0.0983","0.1004","","","","","","1.054","","","","has coordinates","278958","2022-11-07","05:03:52",""
"1567562","10.0485","0.0005","17.8373","0.0009","26.9426","0.0015","90","","98.285","0.005","90","","4778.7","0.4","293","2","293.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 B2 F8 N4 O P2 Ru -","- C49 H46 B2 F8 N4 O P2 Ru -","- C196 H184 B8 F32 N16 O4 P8 Ru4 -","4","1","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.11","0.0613","","","0.1395","0.1666","","","","","","0.989","","","","has coordinates","278957","2022-11-07","05:03:39",""
"1567563","17.8555","0.0005","10.37049","0.00019","18.2838","0.0005","90","","110.261","0.003","90","","3176.13","0.15","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B F4 N4 O P Ru -","- C32 H34 B F4 N4 O P Ru -","- C128 H136 B4 F16 N16 O4 P4 Ru4 -","4","1","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.0618","0.0427","","","0.0948","0.1062","","","","","","1.026","","","","has coordinates","278957","2022-11-07","05:03:41",""
"1567564","17.5755","0.0006","19.7613","0.0008","21.9822","0.0009","106.12","0.004","103.92","0.003","103.786","0.003","6727.3","0.5","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H32 Cl N4 O P Ru -","- C31 H32 Cl N4 O P Ru -","- C248 H256 Cl8 N32 O8 P8 Ru8 -","8","4","","Gong, Huihua; Cui, Tianhua; Liu, Zheyuan; Zheng, Yanling; Zheng, Xueli; Fu, Haiyan; Yuan, Maolin; Chen, Hua; Xu, Jiaqi; Li, Ruixiang","Nitrogen–nitrogen-functionalized N-heterocyclic carbene ruthenium(ii) complexes realized efficient CO2 hydrogenation to formate","Catalysis Science & Technology","2022","12","20","6213","6218","10.1039/D2CY00741J","","x-ray","0.71073","MoKα","","0.1274","0.0962","","","0.2659","0.2852","","","","","","1.038","","","","has coordinates","278957","2022-11-07","05:03:41",""
"1567585","8.7148","0.0003","18.4121","0.0006","18.2547","0.0005","90","","101.524","0.002","90","","2870.06","0.16","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H48 Co N10 S2 -","- C68 H48 Co N10 S2 -","- C136 H96 Co2 N20 S4 -","2","0.5","","Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate","Crystals","2022","12","8","1136","","10.3390/cryst12081136","","x-ray","1.54186","CuKα","","0.1614","0.1458","","","0.3652","0.3729","","","","","","0.977","","","","has coordinates","277684","2022-09-06","16:17:10",""
"1567586","8.3422","0.0001","16.5164","0.0003","19.9774","0.0003","90","","100.072","0.001","90","","2710.13","0.07","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H50 Cl6 Co N10 S2 -","- C54 H50 Cl6 Co N10 S2 -","- C108 H100 Cl12 Co2 N20 S4 -","2","0.5","","Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate","Crystals","2022","12","8","1136","","10.3390/cryst12081136","","x-ray","1.54186","CuKα","","0.1143","0.0956","","","0.2215","0.2451","","","","","","1.069","","","","has coordinates","277685","2022-09-06","16:17:44",""
"1567587","14.7142","0.0009","9.842","0.0005","25.64","0.0017","90","","94.944","0.005","90","","3699.3","0.4","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H59 Cl9 Co N10 O2 S2 -","- C72 H58 Cl6 Co N10 O2 S2 -","- C144 H116 Cl12 Co2 N20 O4 S4 -","2","0.5","","Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate","Crystals","2022","12","8","1136","","10.3390/cryst12081136","","x-ray","1.54186","CuKα","","0.1041","0.0845","","","0.2057","0.2316","","","","","","1.019","","","","has coordinates","277686","2022-09-06","16:18:23",""
"1567588","13.3183","0.0003","12.5045","0.0002","15.2418","0.0004","90","","96.533","0.002","90","","2521.87","0.1","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52.8 H48.8 Cl2.4 Co N10 S2 -","- C52.8 H48.8 Cl2.4 Co N10 S2 -","- C105.6 H97.6 Cl4.8 Co2 N20 S4 -","2","0.5","","Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate","Crystals","2022","12","8","1136","","10.3390/cryst12081136","","x-ray","1.54186","CuKα","","0.1069","0.103","","","0.2365","0.24","","","","","","0.941","","","","has coordinates,has disorder","277687","2022-09-06","16:18:58",""
"1567589","34.855","0.005","8.6116","0.0008","30.178","0.005","90","","146.585","0.007","90","","4988.3","1.5","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C33 H24 N4 -","- C33 H24 N4 -","- C264 H192 N32 -","8","1","","Rocco, Dalila; Nikoletić, Anamarija; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","To Be or Not to Be a (4,4) Net: Reactions of 4′-{4-(N,N-Diethylaminophenyl)}- and 4′-{4-(N,N-Diphenylaminophenyl)}-3,2′:6′,3″- and 4,2′:6′,4″-Terpyridines with Cobalt(II) Thiocyanate","Crystals","2022","12","8","1136","","10.3390/cryst12081136","","x-ray","1.54186","CuKα","","0.1376","0.0975","","","0.2194","0.2699","","","","","","1.016","","","","has coordinates","277688","2022-09-06","16:19:34",""
"1567672","22.26","0.008","14.479","0.006","22.541","0.008","90","","106.1","0.04","90","","6980","5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C74 H80 Cl2 N4 Pd2 -","- C74 H80 Cl2 N4 Pd2 -","- C296 H320 Cl8 N16 Pd8 -","4","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.4374","0.1364","","","0.2642","0.3906","","","","","","0.839","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567673","15.8974","0.0008","16.5103","0.0007","21.77","0.002","90","","90","","90","","5714","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Cl N2 Pd -","- C31 H37 Cl N2 Pd -","- C248 H296 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0724","0.0387","","","0.0825","0.0964","","","","","","1.011","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567674","19.238","0.0014","17.9782","0.0018","21.2489","0.0009","90","","90","","90","","7349.2","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H47 Cl N2 Pd -","- C41 H47 Cl N2 Pd -","- C328 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.068","0.0369","","","0.083","0.0987","","","","","","1.023","","","","has coordinates","278959","2022-11-07","05:04:10",""
"1567675","14.159","0.0004","17.0852","0.0008","29.6394","0.0009","90","","90","","90","","7170","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H47 Cl N2 Pd -","- C40 H47 Cl N2 Pd -","- C320 H376 Cl8 N16 Pd8 -","8","1","","Zhou, Tongliang; Gao, Pengcheng; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","Well-defined, air- and moisture-stable palladium–imidazo[1,5-a]pyridin-3-ylidene complexes: a versatile catalyst platform for cross-coupling reactions by L-shaped NHC ligands","Catalysis Science & Technology","2022","12","21","6581","6589","10.1039/D2CY01136K","","","0.71073","MoKα","","0.0942","0.0521","","","0.104","0.1227","","","","","","1.031","","","","has coordinates,has disorder","278959","2022-11-07","05:04:10",""
"1567708","26.505","0.006","5.5966","0.0007","9.4104","0.0011","90","","98.519","0.015","90","","1380.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.1258","0.0726","","","0.1669","0.2072","","","","","","1.066","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567709","5.5956","0.0004","23.7388","0.0013","9.2195","0.0006","90","","99.725","0.007","90","","1207.05","0.14","453","2","453","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-phenyl-1H-indole-1-carboxamide","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0725","0.0519","","","0.1231","0.1371","","","","","","1.082","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567710","8.0666","0.0006","12.7868","0.0008","15.6641","0.0011","77.581","0.006","87.401","0.006","78.419","0.006","1545.76","0.19","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H13 B Cl F15 N2 O -","- C34 H13 B Cl F15 N2 O -","- C68 H26 B2 Cl2 F30 N4 O2 -","2","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0703","0.0451","","","0.094","0.1125","","","","","","0.969","","","","has coordinates","278331","2022-10-04","19:59:25",""
"1567711","7.9694","0.0004","12.4723","0.0008","15.5816","0.0008","78.311","0.005","86.618","0.004","79.065","0.004","1488.76","0.15","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H14 B F15 N2 O -","- C34 H14 B F15 N2 O -","- C68 H28 B2 F30 N4 O2 -","2","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0718","0.0443","","","0.0878","0.1047","","","","","","1.062","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567712","15.121","0.002","6.9264","0.0007","9.8879","0.0013","90","","109.906","0.014","90","","973.7","0.2","180","2","180","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H7 B Cl3 N -","- C8 H7 B Cl3 N -","- C32 H28 B4 Cl12 N4 -","4","0.5","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.0518","0.0378","","","0.0754","0.083","","","","","","1.118","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567713","12.7275","0.0004","16.2624","0.0004","19.5564","0.0006","69.141","0.003","77.001","0.003","87.734","0.002","3681.9","0.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H17 B Br Cl4 F10 N3 O2 -","- C36 H17 B Br Cl3.99995 F10 N3 O2 -","- C144 H68 B4 Br4 Cl15.9998 F40 N12 O8 -","4","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0699","0.0584","","","0.1632","0.1792","","","","","","1.04","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567714","10.0506","0.0006","12.4111","0.0009","19.1784","0.0012","99.504","0.005","93.559","0.005","90.568","0.005","2354.4","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Cl N2 O Si -","- C25 H25 Cl N2 O Si -","- C100 H100 Cl4 N8 O4 Si4 -","4","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.1023","0.0588","","","0.1384","0.1677","","","","","","0.966","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567715","16.5207","0.0004","9.9632","0.0002","34.818","0.0009","90","","91.771","0.002","90","","5728.3","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-cyclohexyl-1,1-dipropylurea","","- C13 H26 N2 O -","- C13 H26 N2 O -","- C208 H416 N32 O16 -","16","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0721","0.0559","","","0.1568","0.1717","","","","","","1.052","","","","has coordinates,has disorder","278331","2022-10-04","19:59:26",""
"1567716","22.5646","0.0017","13.0075","0.001","8.9569","0.001","90","","95.53","0.008","90","","2616.7","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","2","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","0.71073","MoKα","","0.1563","0.065","","","0.1463","0.193","","","","","","1.072","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567717","5.6086","0.0002","9.3087","0.0003","23.8205","0.0007","90","","90.95","0.003","90","","1243.47","0.07","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 Cl F5 N O -","- C13 H5 Cl F5 N O -","- C52 H20 Cl4 F20 N4 O4 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0431","0.0377","","","0.0997","0.1053","","","","","","1.043","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567718","5.7822","0.0003","12.3852","0.0006","27.1093","0.0014","90","","90","","90","","1941.4","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl N3 O2 -","- C23 H18 Cl N3 O2 -","- C92 H72 Cl4 N12 O8 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0764","0.0667","","","0.1709","0.1829","","","","","","1.027","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567734","7.2552","0.0002","13.8552","0.0004","15.7314","0.0005","105.333","0.0016","99.3403","0.0019","101.607","0.0017","1454.49","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H39 F6 N O4 Si -","- C26 H39 F6 N O4 Si -","- C52 H78 F12 N2 O8 Si2 -","2","1","","Sungnoi, Wanna; Harmata, Michael","Oxidative bridgehead functionalization of (4 + 3) cycloadducts obtained from oxidopyridinium ions","RSC Advances","2022","12","44","28572","28575","10.1039/D2RA05189C","","","1.54178","CuKα","","0.0373","0.034","","","0.0876","0.0899","","","","","","1.02","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1567735","6.9848","0.0003","6.9848","0.0003","5.4744","0.0002","90","","90","","120","","231.3","0.016","100","0.7","100","0.7","","","","","","","","4","P 31","P 31","144","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Balashova, Elena; Levin, Aleksandr A.; Davydov, Valery; Smirnov, Alexander; Starukhin, Anatoly; Pavlov, Sergey; Krichevtsov, Boris; Zolotarev, Andrey; Zhang, Hongjun; Li, Fangzhe; Ke, Hua","Croconic Acid Doped Glycine Single Crystals: Growth, Crystal Structure, UV-Vis, FTIR, Raman and Photoluminescence Spectroscopy","Crystals","2022","12","10","1342","","10.3390/cryst12101342","","x-ray","1.54184","CuKα","","0.0299","0.0299","","","0.0735","0.0735","","","","","","1.09","","","","has coordinates","278483","2022-10-07","10:07:07",""
"1567736","5.1004","0.0005","11.9664","0.0009","5.457","0.0005","90","","111.714","0.003","90","","309.43","0.05","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Balashova, Elena; Levin, Aleksandr A.; Davydov, Valery; Smirnov, Alexander; Starukhin, Anatoly; Pavlov, Sergey; Krichevtsov, Boris; Zolotarev, Andrey; Zhang, Hongjun; Li, Fangzhe; Ke, Hua","Croconic Acid Doped Glycine Single Crystals: Growth, Crystal Structure, UV-Vis, FTIR, Raman and Photoluminescence Spectroscopy","Crystals","2022","12","10","1342","","10.3390/cryst12101342","","","0.71073","MoKα","","0.0416","0.0345","","","0.1109","0.1173","","","","","","1.158","","","","has coordinates","278484","2022-10-07","10:07:39",""
"1567777","9.6677","0.0004","11.6496","0.0003","12.2679","0.0005","109.146","0.003","112.87","0.004","91.797","0.003","1182.45","0.09","169.99","0.11","169.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Cl2 N2 P Zn -","- C24 H27 Cl2 N2 P Zn -","- C48 H54 Cl4 N4 P2 Zn2 -","2","1","","Cao, Furong; Wang, Yun; Wang, Xing; Zhang, Wenjuan; Solan, Gregory A.; Wang, Rui; Ma, Yanping; Hao, Xiang; Sun, Wen-Hua","Zinc 8-aminotrihydroquinolines appended with pendant N-diphenylphosphinoethyl arms as exceptionally active catalysts for the ROP of ε-CL","Catalysis Science & Technology","2022","12","22","6687","6703","10.1039/D2CY00979J","","x-ray","1.54184","CuKα","","0.036","0.0352","","","0.1013","0.102","","","","","","1.071","","","","has coordinates","280158","2023-01-06","09:26:39",""
"1567778","14.5983","0.0001","11.3593","0.0001","16.4355","0.0001","90","","101.497","0.001","90","","2670.76","0.04","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 Cl2 N2 P Zn -","- C29 H29 Cl2 N2 P Zn -","- C116 H116 Cl8 N8 P4 Zn4 -","4","1","","Cao, Furong; Wang, Yun; Wang, Xing; Zhang, Wenjuan; Solan, Gregory A.; Wang, Rui; Ma, Yanping; Hao, Xiang; Sun, Wen-Hua","Zinc 8-aminotrihydroquinolines appended with pendant N-diphenylphosphinoethyl arms as exceptionally active catalysts for the ROP of ε-CL","Catalysis Science & Technology","2022","12","22","6687","6703","10.1039/D2CY00979J","","x-ray","1.54184","CuKα","","0.0342","0.0326","","","0.0893","0.0907","","","","","","1.031","","","","has coordinates","280158","2023-01-06","09:26:39",""
"1567788","8.8255","0.001","11.6235","0.0014","12.598","0.0015","73.4523","0.0018","75.8056","0.0018","72.4567","0.0018","1163.1","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 F6 Mn N4 O6 S2 -","- C16 H16 F6 Mn N4 O6 S2 -","- C32 H32 F12 Mn2 N8 O12 S4 -","2","1","","Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias","Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins","Catalysis Science & Technology","2022","12","24","7341","7348","10.1039/D2CY01472F","","","0.71073","MoKα","","0.0576","0.0404","","","0.0966","0.1089","","","","","","1.03","","","","has coordinates,has disorder","280157","2023-01-06","09:26:30",""
"1567789","8.9946","0.0007","9.9209","0.0008","12.2244","0.0009","90","","105.646","0.003","90","","1050.42","0.14","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C14 H15 F6 Mn N3 O7 S2 -","- C14 H15 F6 Mn N3 O7 S2 -","- C28 H30 F12 Mn2 N6 O14 S4 -","2","0.5","","Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias","Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins","Catalysis Science & Technology","2022","12","24","7341","7348","10.1039/D2CY01472F","","","0.71073","MoKα","","0.0473","0.0466","","","0.1046","0.1049","","","","","","1.217","","","","has coordinates,has disorder","280157","2023-01-06","09:26:31",""
"1567795","14.7885","0.0016","17.1958","0.0019","15.9928","0.0018","90","","96.222","0.002","90","","4043","0.8","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Cl2 F3 Ir2 N2 O5 P2 S -","- C32 H51 Cl2 F3 Ir2 N2 O5 P2 S -","- C128 H204 Cl8 F12 Ir8 N8 O20 P8 S4 -","4","1","","Do, Van K.; Alfonso Vargas, Nicolas; Chavez, Anthony J.; Zhang, Long; Cherepakhin, Valeriy; Lu, Zhiyao; Currier, Robert P.; Dub, Pavel A.; Gordon, John C.; Williams, Travis J.","Pressurized formic acid dehydrogenation: an entropic spring replaces hydrogen compression cost","Catalysis Science & Technology","2022","12","23","7182","7189","10.1039/D2CY00676F","","","0.71073","MoKα","","0.0463","0.0284","","","0.0494","0.0538","","","","","","1.027","","","","has coordinates","280159","2023-01-06","09:26:50",""
"1567796","14.2283","0.0005","12.4939","0.0004","8.2937","0.0002","90","","98.4225","0.0012","90","","1458.44","0.08","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14.96 H11.84 Cl0.02 N2 O5.98 Pt0.02 S0.98 -","- C14.959 H11.836 Cl0.0205 N2 O5.9795 Pt0.0205 S0.9795 -","- C59.836 H47.344 Cl0.082 N8 O23.918 Pt0.082 S3.918 -","4","1","","Maciulis, Nicholas A.; Wasim, Eman; Rezvani, Fereshteh; Pink, Maren; Sterbinsky, George E.; Caulton, Kenneth G.; Tait, Steven L.","Carboxylic acid ligand substituent impacts hydrosilylation activity of platinum single atom catalysts on ceria","Catalysis Science & Technology","2022","12","24","7349","7360","10.1039/D2CY01017H","","","0.71073","MoKα","","0.048","0.0385","","","0.093","0.0986","","","","","","1.042","","","","has coordinates,has disorder","280155","2023-01-06","09:26:15",""
"1567839","6.8699","0.0003","19.185","0.0009","8.392","0.0004","90","","105.318","0.002","90","","1066.76","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Co2 O20 P4 -","- C8 H16 Co2 O20 P4 -","- C16 H32 Co4 O40 P8 -","2","0.5","","Yan, Chong-Chong; Tang, Si-Fu","Rational design of heterostructural heterometallic phosphonates as highly efficient electrocatalysts for overall water splitting under alkaline conditions","Catalysis Science & Technology","2022","12","24","7417","7426","10.1039/D2CY01673G","","","0.71073","MoKα","","0.0545","0.0376","","","0.0859","0.0927","","","","","","1.043","","","","has coordinates","280154","2023-01-06","09:26:06",""
"1567840","10.6044","0.0004","10.3561","0.0004","13.9206","0.0006","90","","97.323","0.001","90","","1516.29","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H40 Ni3 O30 P4 -","- C8 H40 Ni3 O30 P4 -","- C16 H80 Ni6 O60 P8 -","2","0.5","","Yan, Chong-Chong; Tang, Si-Fu","Rational design of heterostructural heterometallic phosphonates as highly efficient electrocatalysts for overall water splitting under alkaline conditions","Catalysis Science & Technology","2022","12","24","7417","7426","10.1039/D2CY01673G","","","0.71073","MoKα","","0.0528","0.0399","","","0.0946","0.1015","","","","","","1.069","","","","has coordinates","280154","2023-01-06","09:26:07",""
"1567904","16.9178","0.0013","13.6023","0.001","12.8848","0.001","90","","108.53","0.003","90","","2811.3","0.4","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H40 F18 Fe4 N6 O2 -","- C12 H36 F18 Fe4 N6 O2 -","- C48 H144 F72 Fe16 N24 O8 -","4","1","","Li, Teng; Lightfoot, Philip","Layered Hybrid iron Fluorides","Crystals","2022","12","10","1443","","10.3390/cryst12101443","","","0.71075","MoKα","","0.0524","0.0331","","","0.0843","0.0913","","","","","","1.006","","","","has coordinates,has disorder","279032","2022-11-07","14:55:37",""
"1567905","11.4695","0.0008","5.8774","0.0004","13.609","0.001","90","","91.553","0.006","90","","917.06","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 F5 Fe N2 O -","- C4 H14 F5 Fe N2 O -","- C16 H56 F20 Fe4 N8 O4 -","4","1","","Li, Teng; Lightfoot, Philip","Layered Hybrid iron Fluorides","Crystals","2022","12","10","1443","","10.3390/cryst12101443","","","0.71075","MoKα","","0.0275","0.025","","","0.0756","0.0769","","","","","","1.045","","","","has coordinates","279033","2022-11-07","14:56:03",""
"1567906","20.5365","0.0014","13.5405","0.0009","13.5727","0.0009","90","","92.588","0.004","90","","3770.4","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 F13 Fe3 N4 O -","- C8 H24 F13 Fe3 N4 O -","- C64 H192 F104 Fe24 N32 O8 -","8","1","","Li, Teng; Lightfoot, Philip","Layered Hybrid iron Fluorides","Crystals","2022","12","10","1443","","10.3390/cryst12101443","","","0.71075","MoKα","","0.1386","0.0608","","","0.1364","0.179","","","","","","1.014","","","","has coordinates","279034","2022-11-07","14:56:31",""
"1567907","15.9809","0.0005","8.5994","0.0003","15.5441","0.0005","90","","102.998","0.001","90","","2081.43","0.12","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Br2 N3 Ni -","- C21 H19 Br2 N3 Ni -","- C84 H76 Br8 N12 Ni4 -","4","0.5","","Norouziyanlakvan, Somayeh; Ferguson, Jonathan; Richeson, Darrin","Electrocatalytic hydrogen production from neutral water using an aqueous Ni(ii) pincer complex","Catalysis Science & Technology","2022","12","24","7494","7500","10.1039/D2CY01504H","","","0.71073","MoKα","","0.0284","0.0244","","","0.0616","0.065","","","","","","1.105","","","","has coordinates","280156","2023-01-06","09:26:23",""
"1567910","10.002","0.0003","10.002","0.0003","8.3831","0.0002","90","","90","","120","","726.29","0.04","293","","293","","","","","","","","","5","P 63","P 6c","173","","","","- Al3.71 K0.842 Na2.868 O16 Si4.29 -","- Al3.91 K0.842 Na2.868 O15.9999 Si3.886 -","- Al7.82 K1.684 Na5.736 O31.9998 Si7.772 -","2","0.333333","","Mikhailova, Julia A.; Aksenov, Sergey M.; Pakhomovsky, Yakov A.; Moine, Bertrand N.; Dusséaux, Camille; Vaitieva, Yulia A.; Voronin, Mikhail","Iron in Nepheline: Crystal Chemical Features and Petrological Applications","Minerals","2022","12","10","1257","","10.3390/min12101257","","x-ray","0.71073","MoKα","","0.0233","0.0211","","","0.0328","0.0334","","","","1.29","1.29","1.27","","","","has coordinates","279057","2022-11-08","06:02:17",""
"1567911","9.9965","0.0007","9.9965","0.0007","8.3796","0.0017","90","","90","","120","","725.19","0.16","293","","293","","","","","","","","","5","P 63","P 6c","173","","","","- Al3.585 K0.71 Na2.875 O16 Si4.415 -","- Al4.01 K0.72 Na2.898 O15.9999 Si3.905 -","- Al8.02 K1.44 Na5.796 O31.9998 Si7.81 -","2","0.333333","","Mikhailova, Julia A.; Aksenov, Sergey M.; Pakhomovsky, Yakov A.; Moine, Bertrand N.; Dusséaux, Camille; Vaitieva, Yulia A.; Voronin, Mikhail","Iron in Nepheline: Crystal Chemical Features and Petrological Applications","Minerals","2022","12","10","1257","","10.3390/min12101257","","x-ray","0.71073","MoKα","","0.0204","0.0191","","","0.0282","0.0286","","","","1.13","1.13","1.12","","","","has coordinates","279058","2022-11-08","06:02:46",""
"1567912","5.2957","0.0003","10.3964","0.0006","8.0451","0.0005","90","","95.262","0.006","90","","441.07","0.05","473","2","473","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0617","0.041","","","0.0608","0.0651","","","","","","0.945","","","","has coordinates","279059","2022-11-08","06:03:13",""
"1567913","5.2854","0.0004","10.3919","0.0008","8.0394","0.0007","90","","95.445","0.008","90","","439.57","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0526","0.0443","","","0.0938","0.0965","","","","","","0.99","","","","has coordinates","279060","2022-11-08","06:03:34",""
"1567914","5.2918","0.0003","10.3948","0.0006","8.0425","0.0005","90","","95.309","0.005","90","","440.5","0.05","423","2","423","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.054","0.0399","","","0.0657","0.0691","","","","","","1.004","","","","has coordinates","279061","2022-11-08","06:04:07",""
"1567915","5.284","0.0003","10.3901","0.0005","8.0347","0.0005","90","","95.359","0.005","90","","439.19","0.04","323","2","323","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0507","0.0388","","","0.0664","0.0692","","","","","","1.015","","","","has coordinates","279062","2022-11-08","06:04:36",""
"1567916","8.8073","0.0011","9.9861","0.0011","9.406","0.0011","90","","91.471","0.01","90","","826.99","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- As4 Ba2 O16 Zn4 -","- As4 Ba2 O16 Zn4 -","- As8 Ba4 O32 Zn8 -","2","0.5","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.2347","0.1052","","","0.2259","0.2999","","","","","","1.031","","","","has coordinates","279063","2022-11-08","06:04:58",""
"1567917","5.2882","0.0003","10.394","0.0005","8.0395","0.0005","90","","95.346","0.005","90","","439.97","0.04","373","2","373","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0526","0.0381","","","0.0637","0.068","","","","","","1.007","","","","has coordinates","279064","2022-11-08","06:05:28",""
"1567918","5.3037","0.0004","10.3959","0.0007","8.0483","0.0006","90","","95.285","0.007","90","","441.87","0.06","573","2","573","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0706","0.0459","","","0.0739","0.0801","","","","","","1.011","","","","has coordinates","279065","2022-11-08","06:05:47",""
"1567919","5.2986","0.0003","10.3948","0.0006","8.0462","0.0005","90","","95.263","0.006","90","","441.3","0.05","523","2","523","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- As2 Ba H2 O9 Zn2 -","- As2 Ba O9 Zn2 -","- As4 Ba2 O18 Zn4 -","2","1","","Gorelova, Liudmila A.; Vereshchagin, Oleg S.; Bocharov, Vladimir N.; Pankin, Dmitrii V.; Đorđević, Tamara","Temperature-Induced Phase Transition in a Feldspar-Related Compound BaZn2As2O8∙H2O","Minerals","2022","12","10","1262","","10.3390/min12101262","","","0.71073","MoKα","","0.0606","0.0423","","","0.0725","0.0779","","","","","","1.009","","","","has coordinates","279066","2022-11-08","06:06:07",""
"1568060","11.715","0.006","7.738","0.004","19.834","0.009","90","","95.723","0.01","90","","1789","1.5","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 F3 N6 O2 S -","- C16 H15 F3 N6 O2 S -","- C64 H60 F12 N24 O8 S4 -","4","1","","Hu, Wei; Zhang, Xiang; Liu, Yuanchang; Liu, Teng; Wen, Jiale; Peng, Xiaopeng; Xie, Xin; Chen, Weiming","Two-stage one-pot synthetic strategy for the key triazone-triazole intermediate of ensitrelvir (S-217622), an oral clinical candidate for treating COVID-19","RSC Advances","2022","12","54","34808","34814","10.1039/D2RA06841A","","","0.71073","MoKα","","0.16","0.0593","","","0.1132","0.1501","","","","","","1.056","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1571117","10.6791","0.0003","12.5175","0.0004","13.817","0.0004","81.202","0.002","84.247","0.002","82.229","0.002","1802.52","0.09","149.99","0.1","149.99","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 F6 Ir N4 O2 P -","- C34 H32 F6 Ir N4 O2 P -","- C68 H64 F12 Ir2 N8 O4 P2 -","2","1","","Fan, Jing-Yan; Yao, Su-Yang; Ye, Bao-Hui","In Situ Synthesis of Hexadentate Cyclometalated Ir(III) Complexes as Photocatalysts for the Oxidation of Sulfides into Sulfoxides in Water","Inorganics","2024","12","3","73","","10.3390/inorganics12030073","","","1.54184","CuKα","","0.0362","0.0329","","","0.0783","0.0807","","","","","","1.037","","","","has coordinates","290299","2024-03-05","04:53:08",""
"1571118","10.5816","0.0001","18.5399","0.0002","17.3118","0.0002","90","","90.374","0.001","90","","3396.19","0.06","149.98","0.1","149.98","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 F6 Ir N4 O2 P -","- C34 H28 F6 Ir N4 O2 P -","- C136 H112 F24 Ir4 N16 O8 P4 -","4","1","","Fan, Jing-Yan; Yao, Su-Yang; Ye, Bao-Hui","In Situ Synthesis of Hexadentate Cyclometalated Ir(III) Complexes as Photocatalysts for the Oxidation of Sulfides into Sulfoxides in Water","Inorganics","2024","12","3","73","","10.3390/inorganics12030073","","x-ray","1.54184","CuKα","","0.0533","0.0392","","","0.0958","0.1009","","","","","","1.062","","","","has coordinates","290300","2024-03-05","04:53:33",""
"1571119","8.3615","0.0003","10.698","0.0005","19.256","0.0007","76.136","0.004","84.487","0.003","77.048","0.003","1628.11","0.12","149.98","0.1","149.98","0.1","","","","","","","","6","P -1","-P 1","2","","F-yea","","- C32 H26 F8 Ir N4 P -","- C32 H26 F8 Ir N4 P -","- C64 H52 F16 Ir2 N8 P2 -","2","1","","Fan, Jing-Yan; Yao, Su-Yang; Ye, Bao-Hui","In Situ Synthesis of Hexadentate Cyclometalated Ir(III) Complexes as Photocatalysts for the Oxidation of Sulfides into Sulfoxides in Water","Inorganics","2024","12","3","73","","10.3390/inorganics12030073","","x-ray","1.54184","CuKα","","0.0395","0.0365","","","0.0902","0.093","","","","","","1.055","","","","has coordinates","290301","2024-03-05","04:53:46",""
"1572299","4.6654","0.0018","16.142","0.006","18.874","0.007","90","","90","","90","","1421.4","0.9","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ag3 Ce2 Rb Te5 -","- Ag3 Ce2 Rb Te5 -","- Ag12 Ce8 Rb4 Te20 -","4","0.25","","Weinelt, Leander; Steinberg, Simon","Exploring the Nature of Ag–Ag Interactions in Different Tellurides by Means of the Crystal Orbital Bond Index (COBI)","Inorganics","2024","12","7","192","","10.3390/inorganics12070192","","","0.71073","MoKα","","0.0548","0.0386","","","0.0762","0.0832","","","","","","0.995","","","","has coordinates","293970","2024-08-06","05:04:08",""
"1572520","9.6754","0.0002","16.7781","0.0003","9.1677","0.0002","90","","92.68","0.002","90","","1486.61","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 B10 N4 O20 -","- C14 H32 B10 N4 O20 -","- C28 H64 B20 N8 O40 -","2","0.5","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0414","0.0335","","","0.0809","0.0851","","","","","","1.031","","","","has coordinates","294650","2024-09-06","12:43:26",""
"1572521","9.7545","0.0003","15.4363","0.0004","17.0325","0.0005","90","","101.851","0.003","90","","2509.98","0.13","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H66 B14 N2 O32 -","- C22 H66 B14 N2 O32 -","- C44 H132 B28 N4 O64 -","2","0.5","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0607","0.0532","","","0.1443","0.1483","","","","","","1.052","","","","has coordinates,has disorder","294651","2024-09-06","12:43:46",""
"1572522","10.0823","0.0005","11.695","0.0004","15.7836","0.0006","90","","105.717","0.005","90","","1791.5","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 B10 N2 O20 -","- C20 H46 B10 N2 O20 -","- C40 H92 B20 N4 O40 -","2","0.5","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0611","0.0449","","","0.1219","0.1324","","","","","","1.039","","","","has coordinates","294652","2024-09-06","12:44:00",""
"1572523","10.0642","0.0001","11.5551","0.0001","15.7004","0.0002","90","","107.629","0.001","90","","1740.1","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H46 B10 N2 O20 -","- C18 H46 B10 N2 O20 -","- C36 H92 B20 N4 O40 -","2","0.5","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","1.54184","CuKα","","0.0439","0.0417","","","0.1259","0.129","","","","","","1.067","","","","has coordinates","294653","2024-09-06","12:44:14",""
"1572524","9.6641","0.0004","12.7484","0.0004","13.0913","0.0004","84.415","0.003","84.541","0.003","75.872","0.003","1552.4","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H42 B10 N2 O20 -","- C16 H42 B10 N2 O20 -","- C32 H84 B20 N4 O40 -","2","1","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0444","0.0358","","","0.0888","0.0929","","","","","","1.018","","","","has coordinates,has disorder","294654","2024-09-06","12:44:28",""
"1572525","9.4616","0.0004","9.478","0.0003","19.8856","0.0008","86.483","0.003","81.244","0.003","75.624","0.003","1706.79","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H42 B10 N4 O23 -","- C16 H42 B10 N4 O23 -","- C32 H84 B20 N8 O46 -","2","1","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0664","0.0457","","","0.1276","0.1431","","","","","","0.97","","","","has coordinates,has disorder","294655","2024-09-06","12:44:42",""
"1572526","9.0501","0.0002","9.1652","0.0002","9.5476","0.0002","104.254","0.002","94.968","0.002","103.538","0.002","737.43","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 B10 N4 O20 -","- C16 H28 B10 N4 O20 -","- C16 H28 B10 N4 O20 -","1","0.5","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0326","0.0312","","","0.088","0.089","","","","","","1.061","","","","has coordinates","294656","2024-09-06","12:45:01",""
"1572527","9.0534","0.0001","11.9367","0.0002","14.5824","0.0002","94.195","0.001","104.156","0.001","94.855","0.001","1515.35","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H42 B10 N2 O20 -","- C16 H42 B10 N2 O20 -","- C32 H84 B20 N4 O40 -","2","1","","Al-Dulayymi, Ahmad R.; Beckett, Michael A.; Braganca, Radek; Coles, Simon J.; Horton, Peter N.; Rixon, Thomas A.","Tetrahydroxidohexaoxidopentaborate(1-) Salts of C6-Linked Substituted Diimidazolium and Dipyrrolidinium Cations: Synthesis, Characterization and XRD Studies","Inorganics","2024","12","8","220","","10.3390/inorganics12080220","","x-ray","0.71075","MoKα","","0.0337","0.0314","","","0.0889","0.0906","","","","","","1.044","","","","has coordinates","294657","2024-09-06","12:45:16",""
"1573192","4.5384","0.0003","20.439","0.005","13.531","0.002","90","","97.006","0.008","90","","1245.8","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","LQ5058","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1725","0.0598","","","0.1446","0.1958","","","","","","0.901","","","","has coordinates","296004","2024-11-20","02:47:53",""
"1573193","4.2338","0.0002","19.838","0.004","12.9059","0.001","90","","95.613","0.005","90","","1078.8","0.2","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1103","0.0691","","","0.2176","0.2431","","","","","","0.978","","","","has coordinates","296004","2024-11-20","02:47:55",""
"1573194","3.5971","0.0001","21.658","0.009","12.7908","0.0009","90","","95.339","0.005","90","","992.2","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","1","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.0851","0.0519","","","0.1414","0.16","","","","","","0.959","","","","has coordinates","296004","2024-11-20","02:48:01",""
"1573195","3.4912","0.0001","12.687","0.003","21.531","0.006","91.51","0.02","90.434","0.009","95.82","0.008","948.4","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1058","0.0628","","","0.1419","0.1645","","","","","","0.957","","","","has coordinates","296004","2024-11-20","02:48:13",""
"1573196","3.4134","0.0001","12.5674","0.0019","21.367","0.005","91.675","0.015","90.433","0.007","95.755","0.006","911.5","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.077","0.0509","","","0.1288","0.143","","","","","","0.949","","","","has coordinates","296004","2024-11-20","02:48:23",""
"1573197","3.3501","0.0001","12.453","0.002","21.244","0.005","91.709","0.018","90.417","0.008","95.599","0.007","881.6","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.0806","0.0574","","","0.1517","0.1677","","","","","","0.972","","","","has coordinates","296004","2024-11-20","02:48:36",""
"1573198","3.2931","0.0002","12.347","0.004","21.133","0.007","91.42","0.03","90.439","0.011","95.29","0.011","855.3","0.4","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.127","0.0763","","","0.1988","0.2308","","","","","","1.005","","","","has coordinates","296004","2024-11-20","02:48:41",""
"1573199","3.1883","0.0004","12.1605","0.0018","20.825","0.006","91.99","0.02","90.297","0.018","95.206","0.011","803.6","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.0869","0.0631","","","0.1837","0.2107","","","","","","0.986","","","","has coordinates","296004","2024-11-20","02:48:48",""
"1573200","3.1077","0.0004","11.995","0.002","20.571","0.008","91.56","0.03","89.92","0.03","95.171","0.013","763.4","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C20 H12 -","- C20 H12 -","- C80 H48 -","4","2","","Zhou, Wenju; Aslandukov, Andrey; Minchenkova, Anastasiia; Hanfland, Michael; Dubrovinsky, Leonid; Dubrovinskaia, Natalia","Structural transformations and stability of benzo[a]pyrene under high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524010455","","","0.41","synchrotron","","0.1824","0.1427","","","0.324","0.364","","","","","","1.677","","","","has coordinates","296004","2024-11-20","02:49:00",""
"1573201","7.1494","0.00018","10.9139","0.0003","17.7592","0.0005","90","","102.584","0.003","90","","1352.42","0.07","109.99","0.12","109.99","0.12","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0287","0.0229","","","0.0543","0.0567","","","","","","1.0543","","","","has coordinates","296005","2024-11-20","02:49:56",""
"1573202","7.17156","0.00018","10.9455","0.0003","17.7694","0.0005","90","","102.742","0.003","90","","1360.48","0.07","150.06","0.1","150.06","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0318","0.0251","","","0.0499","0.0522","","","","","","1.091","","","","has coordinates","296005","2024-11-20","02:49:58",""
"1573203","7.1945","0.0002","10.9948","0.0003","17.7698","0.0005","90","","102.926","0.003","90","","1370.01","0.07","190","0.1","190","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0277","0.0221","","","0.0532","0.0555","","","","","","1.0974","","","","has coordinates","296005","2024-11-20","02:50:05",""
"1573204","7.2211","0.0002","11.0779","0.0003","17.7769","0.0005","90","","103.161","0.003","90","","1384.7","0.07","250","0.1","250","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0319","0.0245","","","0.0524","0.0552","","","","","","1.0489","","","","has coordinates","296005","2024-11-20","02:50:11",""
"1573205","7.2277","0.0006","11.248","0.0009","17.7562","0.0014","90","","103.578","0.008","90","","1403.2","0.2","290","0.1","290","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0794","0.0373","","","0.077","0.12","","","","","","1.0195","","","","has coordinates","296005","2024-11-20","02:50:12",""
"1573206","7.2522","0.0005","11.4389","0.0008","17.705","0.0013","90","","104.385","0.007","90","","1422.71","0.18","350","0.1","350","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Makal, A.","Tracking anharmonic oscillations in the structure of β-1,3-diacetylpyrene.","IUCrJ","2025","12","1","","","10.1107/S2052252524010443","","x-ray","1.54184","CuKα","","0.0785","0.0418","","","0.1036","0.1345","","","","","","1.0112","","","","has coordinates","296005","2024-11-20","02:50:14",""
"1573348","8.1695","0.0004","10.658","0.003","5.0531","0.0001","90","","90","","90","","439.98","0.13","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0532","0.0487","","","0.1478","0.1778","","","","","","1.189","","","","has coordinates","296163","2024-11-29","03:01:54",""
"1573349","8.35707","0.00012","10.714","0.002","5.11006","0.00005","90","","90","","90","","457.54","0.09","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.2229","synchrotron","","0.0661","0.0566","","","0.1465","0.1577","","","","","","1.019","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573350","8.1572","0.0003","10.64","0.003","5.0499","0.0001","90","","90","","90","","438.29","0.12","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0404","0.0387","","","0.0966","0.102","","","","","","1.042","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573351","8.0991","0.0003","10.54","0.005","5.0319","0.0003","90","","90","","90","","429.5","0.2","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0503","0.0414","","","0.1095","0.1152","","","","","","0.997","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573352","8.1701","0.0004","10.6651","0.0003","5.0554","0.0001","90","","90","","90","","440.5","0.03","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0289","0.0279","","","0.0779","0.0787","","","","","","1.115","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573353","8.2334","0.0007","10.717","0.006","5.0641","0.0003","90","","90","","90","","446.8","0.3","293","","293","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0621","0.0503","","","0.1383","0.1597","","","","","","1.034","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573354","8.1412","0.0009","10.6227","0.0008","5.0448","0.0002","90","","90","","90","","436.28","0.06","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0494","0.0449","","","0.1136","0.1162","","","","","","0.975","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573355","8.1559","0.0002","10.636","0.003","5.0475","0.0001","90","","90","","90","","437.85","0.12","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.037","0.0337","","","0.0924","0.0957","","","","","","1.036","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573356","8.1865","0.0004","10.67","0.005","5.0479","0.0002","90","","90","","90","","440.9","0.2","293","","293","2","","","","","","","","3","P n n 2","P 2 -2n","34","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.35424","synchrotron","","0.0499","0.0452","","","0.1263","0.13","","","","","","1.046","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573357","8.2501","0.0002","10.694","0.003","5.06794","0.00016","90","","90","","90","","447.13","0.13","293","2","293","2","","","","","","","","3","I m m 2","I 2 -2","44","","","","- O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.35424","synchrotron","","0.1001","0.099","","","0.2505","0.2519","","","","","","1.029","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573358","8.2846","0.0002","10.697","0.002","5.0823","0.0001","90","","90","","90","","450.4","0.09","293","2","293","2","1500000","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0669","0.0593","","","0.1608","0.171","","","","","","1.053","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573359","8.0977","0.0006","10.5415","0.001","5.0266","0.0002","90","","90","","90","","429.08","0.05","293","","293","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H0 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.2229","synchrotron","","0.2921","0.1875","","","0.2063","0.239","","","","9.1391","9.1391","7.7139","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573360","8.2199","0.0006","10.6921","0.0002","5.0603","0.0001","90","","90","","90","","444.74","0.03","293","2","293","2","2330000","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0541","0.0326","","","0.1013","0.1238","","","","","","1.003","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573361","8.1356","0.0008","10.6329","0.0003","5.0386","0.0001","90","","90","","90","","435.86","0.05","293","2","293","2","3300000","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0731","0.0634","","","0.2044","0.2107","","","","","","1.199","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573362","8.0899","0.0013","10.5425","0.0005","5.0237","0.0001","90","","90","","90","","428.46","0.07","293","2","293","2","4100000","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.215","0.1982","","","0.542","0.5621","","","","","","2.427","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573363","8.31709","0.00017","10.706","0.003","5.09489","0.00007","90","","90","","90","","453.66","0.13","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","x-ray","0.2229","synchrotron","","0.0626","0.0562","","","0.1595","0.1687","","","","","","1.084","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573364","8.2502","0.0002","10.685","0.003","5.0695","0.0001","90","","90","","90","","446.89","0.13","293","2","293","2","2100000","","","","","","","4","I m m 2","I 2 -2","44","","","","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0649","0.0549","","","0.1513","0.1621","","","","","","1.072","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573365","8.2161","0.0002","10.673","0.003","5.0579","0.0001","90","","90","","90","","443.53","0.13","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- H4 O10 Si2 Zn4 -","- H4 O10 Si2 Zn4 -","- H8 O20 Si4 Zn8 -","2","0.5","","Gajda, Roman; Sławiński, Wojciech; Poręba, Tomasz; Parafiniuk, Jan; Mezouar, Mohamed; Dera, Przemysław; Woźniak, Krzysztof","Incommensurately modulated structure of Zn<sub>4</sub>Si<sub>2</sub>O<sub>7</sub>(OH)<sub>2</sub>·H<sub>2</sub>O at high pressure.","IUCrJ","2025","12","1","","","10.1107/S2052252524011060","","","0.2229","synchrotron","","0.0806","0.0558","","","0.1756","0.196","","","","","","1.081","","","","has coordinates","296163","2024-11-29","03:01:55",""
"1573426","38.356","0.002","9.525","0.001","34.782","0.002","90","","110.67","0.02","90","","11889","2","203.15","","203.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H65 N11 O15 S2 U3 -","- C40 H65 N11 O15 S2 U3 -","- C320 H520 N88 O120 S16 U24 -","8","1","","Noufele, Christelle Njiki; Roca Jungfer, Maximilian; Hagenbach, Adelheid; Nguyen, Hung Huy; Abram, Ulrich","Uranium-Mediated Thiourea/Urea Conversion on Chelating Ligands","Inorganics","2024","12","11","295","","10.3390/inorganics12110295","","","0.71073","MoKα","","0.0946","0.0501","","","0.0949","0.1063","","","","","","0.886","","","","has coordinates","296741","2024-12-07","06:20:00",""
"1573427","23.754","0.005","19.292","0.004","13.997","0.003","90","","90","","90","","6414","2","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C42 H68 N11 O15 S2 U3 -","- C42 H66 N11 O14 S2 U3 -","- C168 H264 N44 O56 S8 U12 -","4","0.5","","Noufele, Christelle Njiki; Roca Jungfer, Maximilian; Hagenbach, Adelheid; Nguyen, Hung Huy; Abram, Ulrich","Uranium-Mediated Thiourea/Urea Conversion on Chelating Ligands","Inorganics","2024","12","11","295","","10.3390/inorganics12110295","","","0.71073","MoKα","","0.0912","0.0709","","","0.1554","0.1704","","","","","","1.111","","","","has coordinates,has disorder","296741","2024-12-07","06:20:01",""
"1573428","12.752","0.001","18.341","0.001","28.125","0.002","90","","103.02","0.003","90","","6408.9","0.8","203.15","","203.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H69 N10 O14 P S2 U3 -","- C55 H69 N10 O14 P S2 U3 -","- C220 H276 N40 O56 P4 S8 U12 -","4","1","","Noufele, Christelle Njiki; Roca Jungfer, Maximilian; Hagenbach, Adelheid; Nguyen, Hung Huy; Abram, Ulrich","Uranium-Mediated Thiourea/Urea Conversion on Chelating Ligands","Inorganics","2024","12","11","295","","10.3390/inorganics12110295","","","0.71073","MoKα","","0.0682","0.0355","","","0.06","0.0661","","","","","","0.864","","","","has coordinates","296741","2024-12-07","06:20:01",""
"1573477","16.6633","0.0006","4.7294","0.0002","19.6488","0.0007","90","","110.091","0.004","90","","1454.24","0.1","99.9","0.3","99.9","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","YC5049","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0389","0.0321","","","0.0817","0.0867","","","","","","1.039","","","","has coordinates","296941","2024-12-21","02:46:56",""
"1573478","16.6728","0.0005","4.7388","0.0001","19.668","0.0006","90","","110.024","0.003","90","","1460.01","0.08","130","0.3","130","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0422","0.0351","","","0.0895","0.0967","","","","","","1.036","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573479","16.6842","0.0006","4.7293","0.0001","19.692","0.0007","90","","110.036","0.004","90","","1459.75","0.09","140","0.14","140","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0402","","","0.1115","0.1152","","","","","","1.035","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573480","16.6876","0.0007","4.7329","0.0002","19.6859","0.0009","90","","110.002","0.005","90","","1461.02","0.12","145.05","0.1","145.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0435","0.0407","","","0.1134","0.1176","","","","","","1.048","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573481","16.6834","0.0008","4.7362","0.0002","19.6927","0.001","90","","109.981","0.006","90","","1462.37","0.13","150.05","0.1","150.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0433","0.0407","","","0.1139","0.1175","","","","","","1.04","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573482","16.6852","0.0007","4.7457","0.0002","19.6763","0.0007","90","","109.949","0.004","90","","1464.54","0.11","150.1","0.2","150.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0352","","","0.0922","0.1001","","","","","","1.045","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573483","16.6821","0.0008","4.7392","0.0002","19.6849","0.0009","90","","109.948","0.005","90","","1462.91","0.12","155.05","0.1","155.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0443","0.0415","","","0.1182","0.1217","","","","","","1.058","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573484","16.6868","0.0006","4.7394","0.0001","19.6945","0.0007","90","","109.936","0.004","90","","1464.21","0.09","160.05","0.1","160.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0438","0.0407","","","0.1122","0.1165","","","","","","1.052","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573485","16.6819","0.0006","4.7422","0.0002","19.6945","0.0008","90","","109.915","0.004","90","","1464.84","0.11","165.05","0.1","165.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0435","0.0402","","","0.1112","0.116","","","","","","1.052","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573486","16.6847","0.0007","4.7475","0.0002","19.6847","0.0009","90","","109.844","0.005","90","","1466.65","0.12","170","0.14","170","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0447","0.0414","","","0.1151","0.1196","","","","","","1.065","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573487","16.6837","0.0007","4.75","0.0002","19.6845","0.0008","90","","109.814","0.005","90","","1467.6","0.12","175.1","0.2","175.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.044","0.0411","","","0.1137","0.1185","","","","","","1.05","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573488","16.6837","0.0006","4.7513","0.0002","19.6812","0.0008","90","","109.784","0.004","90","","1468.03","0.11","180.1","0.2","180.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0442","0.0411","","","0.1137","0.1181","","","","","","1.05","","","","has coordinates","296941","2024-12-21","02:46:57",""
"1573489","16.68","0.0007","4.7547","0.0002","19.6846","0.0008","90","","109.773","0.005","90","","1469.11","0.12","185.1","0.14","185.1","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.045","0.042","","","0.1167","0.1208","","","","","","1.049","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573490","16.6841","0.0007","4.7564","0.0002","19.6818","0.0008","90","","109.74","0.005","90","","1470.09","0.12","190","0.14","190","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0446","0.0412","","","0.1132","0.1181","","","","","","1.035","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573491","16.6798","0.0005","4.7618","0.0001","19.6808","0.0007","90","","109.657","0.004","90","","1472.07","0.08","200.05","0.1","200.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0439","0.0406","","","0.1131","0.1173","","","","","","1.045","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573492","16.684","0.0007","4.7634","0.0002","19.6972","0.0007","90","","109.674","0.004","90","","1474.01","0.11","200.1","0.3","200.1","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0418","0.0338","","","0.0862","0.093","","","","","","1.046","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573493","16.6906","0.0009","4.7903","0.0002","19.6824","0.0009","90","","109.367","0.005","90","","1484.62","0.13","249.9","0.2","249.9","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0472","0.0349","","","0.0889","0.0986","","","","","","1.059","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573494","16.692","0.0004","4.8145","0.0001","19.6756","0.0005","90","","109.059","0.003","90","","1494.53","0.07","299.95","0.1","299.95","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0488","0.0433","","","0.1207","0.1282","","","","","","1.059","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573495","16.6911","0.001","4.8164","0.0003","19.6669","0.001","90","","109.032","0.006","90","","1494.62","0.16","299.6","0.8","299.6","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4-Pyridyl)ethane fumaric acid","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0512","0.0371","","","0.0967","0.1083","","","","","","1.024","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573496","16.6","0.04","4.7781","0.0004","19.218","0.009","90","","110.32","0.13","90","","1429","4","295","2","295","2","","","640000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.143","0.0799","","","0.1933","0.2267","","","","","","1.067","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573497","16.56","0.03","4.7226","0.0003","19.187","0.007","90","","110.99","0.11","90","","1401","3","295","2","295","2","","","940000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1748","0.0869","","","0.2034","0.2645","","","","","","1.123","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573498","16.6147","0.0011","4.8463","0.0004","19.3274","0.0011","90","","109.551","0.007","90","","1466.51","0.19","99.9","0.3","99.9","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0901","0.0649","","","0.1613","0.1868","","","","","","1.035","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573499","16.6128","0.0004","4.8607","0.0001","19.3367","0.0005","90","","109.37","0.003","90","","1473.05","0.07","140.05","0.1","140.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0407","","","0.1108","0.1134","","","","","","1.038","","","","has coordinates","296941","2024-12-21","02:46:58",""
"1573500","16.55","0.03","4.6266","0.0003","19.089","0.006","90","","111.96","0.09","90","","1356","3","295","2","295","2","","","1410000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1394","0.091","","","0.2251","0.2743","","","","","","1.097","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573501","16.6153","0.0005","4.8619","0.0001","19.34","0.0005","90","","109.35","0.003","90","","1474.07","0.07","145.05","0.1","145.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0428","0.0408","","","0.1115","0.1141","","","","","","1.039","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573502","16.6155","0.0004","4.8646","0.0001","19.3384","0.0005","90","","109.321","0.003","90","","1475.05","0.07","150.05","0.1","150.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0433","0.0415","","","0.1144","0.1168","","","","","","1.07","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573503","16.6252","0.0013","4.8647","0.0004","19.3379","0.0011","90","","109.278","0.008","90","","1476.3","0.2","150.1","0.14","150.1","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0902","0.0597","","","0.1546","0.1899","","","","","","1.044","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573504","16.6176","0.0004","4.8671","0.0001","19.3394","0.0005","90","","109.301","0.003","90","","1476.25","0.07","155.05","0.1","155.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0439","0.0416","","","0.1154","0.1184","","","","","","1.077","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573505","16.6174","0.0003","4.8695","0.0001","19.3375","0.0004","90","","109.268","0.002","90","","1477.11","0.05","160.05","0.1","160.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0435","0.0411","","","0.1138","0.1176","","","","","","1.064","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573506","16.6187","0.0003","4.872","0.0001","19.3377","0.0004","90","","109.242","0.002","90","","1478.23","0.05","165.05","0.1","165.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0445","0.0422","","","0.116","0.1191","","","","","","1.05","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573507","16.6197","0.0003","4.8747","0.0001","19.3362","0.0004","90","","109.217","0.002","90","","1479.25","0.05","170","0.14","170","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0448","0.042","","","0.1149","0.1196","","","","","","1.041","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573508","16.6216","0.0004","4.877","0.0001","19.3388","0.0004","90","","109.193","0.002","90","","1480.54","0.06","175","0.14","175","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0456","0.0432","","","0.1182","0.1218","","","","","","1.057","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573509","16.6256","0.0003","4.8792","0.0001","19.3393","0.0004","90","","109.164","0.002","90","","1481.86","0.05","180","0.14","180","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0459","0.0436","","","0.1191","0.1229","","","","","","1.059","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573510","16.6268","0.0003","4.881","0.0001","19.3397","0.0004","90","","109.141","0.002","90","","1482.75","0.05","185.05","0.1","185.05","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0453","0.043","","","0.1176","0.1211","","","","","","1.052","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573511","16.6279","0.0003","4.8825","0.0001","19.3411","0.0004","90","","109.105","0.002","90","","1483.73","0.05","190","0.1","190","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0458","0.0437","","","0.1203","0.1235","","","","","","1.068","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573512","16.53","0.02","4.5612","0.0003","19.065","0.007","90","","112.63","0.1","90","","1326.8","1.9","295","2","295","2","","","1930000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1668","0.0889","","","0.217","0.2908","","","","","","1.071","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573513","16.6313","0.0005","4.8871","0.0001","19.3441","0.0006","90","","109.05","0.003","90","","1486.16","0.08","199.95","0.1","199.95","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0461","0.0436","","","0.1199","0.1251","","","","","","1.062","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573514","16.6408","0.001","4.8878","0.0003","19.3501","0.001","90","","109.048","0.006","90","","1487.7","0.16","200.1","0.3","200.1","0.3","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0898","0.0588","","","0.1475","0.1883","","","","","","1.087","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573515","16.48","0.04","4.5205","0.0004","19.083","0.012","90","","113.24","0.16","90","","1306","4","295","2","295","2","","","2460000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1127","0.0583","","","0.1512","0.1868","","","","","","1.106","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573516","16.6494","0.0014","4.9069","0.0004","19.3575","0.0013","90","","108.812","0.009","90","","1497","0.2","250","0.14","250","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0824","0.0528","","","0.1372","0.1652","","","","","","1.021","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573517","16.469","0.014","4.4857","0.0002","19.042","0.004","90","","113.63","0.05","90","","1288.8","1.2","295","2","295","2","","","2760000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1295","0.0878","","","0.2301","0.2812","","","","","","1.128","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573518","16.462","0.012","4.4828","0.0002","19.038","0.003","90","","113.66","0.05","90","","1286.8","1.1","295","2","295","2","","","2870000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1303","0.0857","","","0.2175","0.2702","","","","","","1.018","","","","has coordinates","296941","2024-12-21","02:46:59",""
"1573519","16.446","0.01","4.46879","0.00018","19.038","0.003","90","","113.81","0.04","90","","1280.1","0.9","295","2","295","2","","","2900000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","","0.71073","MoKα","","0.0966","0.0602","","","0.1447","0.1738","","","","","","1.049","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573520","16.33","0.07","4.4824","0.0009","19.06","0.02","90","","113.4","0.3","90","","1280","6","295","2","295","2","","","2970000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1125","0.0727","","","0.1827","0.2271","","","","","","1.037","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573521","16.6688","0.0005","4.9269","0.0001","19.3733","0.0006","90","","108.522","0.003","90","","1508.63","0.08","300","0.14","300","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","1,2-bis(4,4'-pyridyl)ethane succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0521","0.0483","","","0.1349","0.1416","","","","","","1.067","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573522","16.661","0.0013","4.9284","0.0004","19.3767","0.0013","90","","108.52","0.008","90","","1508.7","0.2","300.1","0.8","300.1","0.8","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0834","0.0515","","","0.1275","0.1536","","","","","","1.013","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573523","16.429","0.012","4.4214","0.0003","19.02","0.004","90","","114.32","0.05","90","","1259","1.1","295","2","295","2","","","3290000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.0977","0.0616","","","0.1393","0.1618","","","","","","1.069","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573524","16.44","0.09","4.4104","0.0011","18.97","0.03","90","","114","0.4","90","","1257","8","295","2","295","2","","","3470000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1214","0.0663","","","0.1559","0.1866","","","","","","1.111","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573525","16.46","0.06","4.3839","0.0007","18.94","0.02","90","","114.3","0.3","90","","1246","6","295","2","295","2","","","3730000","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","0.71073","MoKα","","0.1379","0.0904","","","0.2204","0.2711","","","","","","1.037","","","","has coordinates","296941","2024-12-21","02:47:00",""
"1573526","16.6711","0.0003","4.9272","0.0001","19.3744","0.0004","90","","108.512","0.002","90","","1509.1","0.05","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","4,4'-Ethane-1,2-diyldipyridine succinic acid","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Patyk-Kaźmierczak, Ewa; Szymańska, Kornelia; Kaźmierczak, Michał","Managing negative linear compressibility and thermal expansion through steric hindrance: a case study of 1,2-bis(4'-pyridyl)ethane cocrystals.","IUCrJ","2025","12","1","","","10.1107/S2052252524011734","","x-ray","1.54184","CuKα","","0.0441","0.0368","","","0.0984","0.1049","","","","","","1.031","","","","has coordinates","296941","2024-12-21","02:47:00",""
"2300555","4.732","","4.732","","4.732","","90","","90","","90","","105.958","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","V3 Si","","- Si V3 -","- Si V3 -","- Si2 V6 -","2","0.0416667","","Kitchingman, W.J.; Birch, A.; Tjong, S.C.","The structure and properties of the vanadium-chromium-silicon alloys in the composition range V3 Si to Cr3 Si","Journal of Applied Crystallography","1979","12","","473","475","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310083","3.363","","3.363","","8.592","","90","","90","","90","","97.174","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au2 Mn -","- Au2 Mn -","- Au4 Mn2 -","2","0.0625","","Royan, J.; Hall, O.E.","The structure of Au2 Mn","Acta Crystallographica (1,1948-23,1967)","1959","12","","607","608","10.1107/S0365110X59001761","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310173","7.55","","7.55","","7.55","","90","","90","","90","","430.369","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Gd Ir2 -","- Gd Ir2 -","- Gd8 Ir16 -","8","0.0416667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare earths and of hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310174","5.319","","5.319","","8.838","","90","","90","","120","","216.543","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Gd Os2 -","- Gd Os2 -","- Gd4 Os8 -","4","0.166667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare-earths and hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310175","7.348","","7.348","","7.348","","90","","90","","90","","396.741","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 Sc -","- Ir2 Sc -","- Ir16 Sc8 -","8","0.0416667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare earths and of hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310177","5","","5","","24.35","","90","","90","","120","","527.193","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ni3 Pu -","- Ni3 Pu -","- Ni27 Pu9 -","9","0.25","","Cromer, D.T.; Olsen, C.E.","The crystal structures of Pu Ni3 and Ce Ni3","Acta Crystallographica (1,1948-23,1967)","1959","12","","689","694","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310212","5.6","","9.68","","4.12","","90","","90","","90","","223.337","","","","","","","","","","","","","2","A m a 2","A 2 -2a","40","","","","- Pt2 U -","- Pt2 U -","- Pt8 U4 -","4","0.5","","Hatt, B.A.; Williams, G.I.","The crystal structure of U Pt2","Acta Crystallographica (1,1948-23,1967)","1959","12","","655","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310267","11.278","","11.278","","11.278","","90","","90","","90","","1434.49","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni Ti2 -","- Ni Ti2 -","- Ni32 Ti64 -","32","0.166667","","Yurko, G.A.; Barton, J.W.; Parr, J.G.","The crystal structure of Ti2 Ni","Acta Crystallographica (1,1948-23,1967)","1959","12","","909","911","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310280","4.98","","4.98","","16.54","","90","","90","","120","","355.242","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ce Ni3 -","- Ce Ni3 -","- Ce6 Ni18 -","6","0.25","","Cromer, D.T.; Olsen, C.E.","The crystal structures of Pu Ni3 and Ce Ni3","Acta Crystallographica (1,1948-23,1967)","1959","12","","689","694","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310281","4.98","","4.98","","24.52","","90","","90","","120","","526.635","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Ce2 Ni7 -","- Ce2 Ni7 -","- Ce8 Ni28 -","4","0.166667","","Cromer, D.T.; Larson, A.C.","The crystal structure of Ce7 Ni2","Acta Crystallographica (1,1948-23,1967)","1959","12","","855","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310311","5.032","","5.032","","12.27","","90","","90","","120","","269.065","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Co3 V -","- Co3 V -","- Co18 V6 -","6","0.25","","Saito, S.","The crystal structure of V Co3","Acta Crystallographica (1,1948-23,1967)","1959","12","","500","502","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310320","4.984","","4.984","","4.117","","90","","90","","120","","88.566","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu5 Y -","- Cu5 Y -","- Cu5 Y -","1","0.0416667","","Wernick, J.H.; Geller, S.","Transition element - rare earth compounds with the Cu5 Ca structure","Acta Crystallographica (1,1948-23,1967)","1959","12","","662","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310321","4.869","","4.869","","3.969","","90","","90","","120","","81.488","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Dy Ni5 -","- Dy Ni5 -","- Dy Ni5 -","1","0.0416667","","Wernick, J.H.; Geller, S.","Transition element - rare earth compounds with the Cu5 Ca structure","Acta Crystallographica (1,1948-23,1967)","1959","12","","662","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310725","9.752","","3.802","","9.442","","90","","91.92","","90","","349.885","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ti3 O5","","- O5 Ti3 -","- O5 Ti3 -","- O20 Ti12 -","4","0.5","","Asbrink, S.; Magneli, A.","Crystal structure studies on trititanium pentoxide, Ti3 O5","Acta Crystallographica (1,1948-23,1967)","1959","12","","575","581","","","","","","","","","","","","","","","","","","","","","","has coordinates","160676","2020-10-21","18:00:00",""
"2310726","8.0885","","8.0885","","8.0885","","90","","90","","90","","529.181","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","U2 C3","","- C3 U2 -","- C3 U2 -","- C24 U16 -","8","0.166667","","Austin, A.E.","Carbon Positions in Uranium Carbides","Acta Crystallographica (1,1948-23,1967)","1959","12","","159","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","160701","2020-10-21","18:00:00",""
"2310727","3.509","","3.509","","5.98","","90","","90","","90","","73.632","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","U C2","","- C2 U -","- C2 U -","- C4 U2 -","2","0.0625","","Austin, A.E.","Carbon positions in uranium carbides","Acta Crystallographica (1,1948-23,1967)","1959","12","","159","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310731","5.184","","7.155","","5.04","","112.12","","97.8","","67.88","","160.431","","","","","","","","","","","","","6","P -1","-P 1","2","","Li Al P O4 ((O H).5 F.5)","","- Al F0.5 H0.5 Li O4.5 P -","- Al F0.5 Li O4.5 P -","- Al2 F Li2 O9 P2 -","2","1","","Baur, W.H.","Die Kristallstruktur des Edelamblygonits Li Al P O4 ((O H) F)","Acta Crystallographica (1,1948-23,1967)","1959","12","","988","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310798","8.26","","9.79","","3.97","","90","","90","","90","","321.036","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Sb S Br","","- Br S Sb -","- Br S Sb -","- Br4 S4 Sb4 -","4","0.5","","Christofferson, G.D.; McCullough, J.D.","The crystal structure of antimony(III) sulfobromide, Sb S Br","Acta Crystallographica (1,1948-23,1967)","1959","12","","14","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310800","8.67","","5.59","","7.13","","90","","90","","90","","345.558","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pb (Cr O4)","","- Cr O4 Pb -","- Cr O4 Pb -","- Cr4 O16 Pb4 -","4","0.5","","Collotti, G.; Zocchi, M.; Conti, L.","The structure of the orthorhombic modification of lead chromate Pb Cr O4","Acta Crystallographica (1,1948-23,1967)","1959","12","","416","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310802","7.1","","10.4","","8.4","","90","","107.33","","90","","592.099","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K3 (Co (C N)6)","","- C6 Co K3 N6 -","- C6 Co K3 N6 -","- C12 Co2 K6 N12 -","2","0.5","","Curry, N.A.; Runciman, W.A.","A neutron-diffraction study of potassium cobalticyanide","Acta Crystallographica (1,1948-23,1967)","1959","12","","674","678","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310857","6.349","","6.349","","3.778","","90","","90","","90","","152.29","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","(N H4) (Cl O2)","","- Cl H4 N O2 -","- Cl H4 N O2 -","- Cl2 H8 N2 O4 -","2","0.25","","Gillespie, R.B.; Sparks, R.A.; Trueblood, K.N.","The crystal structure of ammonium chlorite at -35 C","Acta Crystallographica (1,1948-23,1967)","1959","12","","867","872","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310859","8.18","","8.15","","4.054","","90","","94.8","","90","","269.32","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","(Cu (N H3)2) Br2","","- Br2 Cu H6 N2 -","- Br2 Cu H6 N2 -","- Br4 Cu2 H12 N4 -","2","0.25","","Hanic, F.","Die Kristallstruktur von alpha-Cu (N H3)2 Br2","Acta Crystallographica (1,1948-23,1967)","1959","12","","739","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310861","5.31","","5.31","","10.5","","90","","90","","90","","296.059","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Na3 Zr F7","","- F7 Na3 Zr -","- F7 Na3 Zr -","- F14 Na6 Zr2 -","2","0.0625","","Harris, L.A.","The crystal structures of Na3 Zr F7 and Na3 Hf F7","Acta Crystallographica (1,1948-23,1967)","1959","12","","172","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310862","5.31","","5.31","","10.5","","90","","90","","90","","296.059","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Na3 Hf F7","","- F7 Hf Na3 -","- F7 Hf Na3 -","- F14 Hf2 Na6 -","2","0.0625","","Harris, L.A.","The crystal structures of Na3 Zr F7 and Na3 Hf F7","Acta Crystallographica (1,1948-23,1967)","1959","12","","172","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310877","8.06","","16.42","","8.93","","90","","90","","90","","1181.84","","","","","","","","","","","","","4","P m n b","-P 2bc 2a","62","","(Sb Cl5) (P O Cl3)","","- Cl8 O P Sb -","- Cl8 O P Sb -","- Cl32 O4 P4 Sb4 -","4","0.5","","Lindqvist, I.; Braenden, C.I.","The crystal structure of (Sb Cl5) (P O Cl3)","Acta Crystallographica (1,1948-23,1967)","1959","12","","642","645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310881","7.663","","7.663","","7.663","","90","","90","","90","","449.983","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Os2 Pd","","- Os2 Pr -","- Os2 Pr -","- Os16 Pr8 -","8","0.0416667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare earths and of hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310882","7.59","","7.59","","7.59","","90","","90","","90","","437.245","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Pt2 Y -","- Pt2 Y -","- Pt16 Y8 -","8","0.0416667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare earths and of hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310883","7.459","","7.459","","7.459","","90","","90","","90","","414.994","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Rh2 Y -","- Rh2 Y -","- Rh16 Y8 -","8","0.0416667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare earths and of hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310884","7.686","","7.686","","7.686","","90","","90","","90","","454.047","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 La -","- Ir2 La -","- Ir16 La8 -","8","0.0416667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare earths and of hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310885","7.5","","7.5","","7.5","","90","","90","","90","","421.875","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 Y -","- Ir2 Y -","- Ir16 Y8 -","8","0.0416667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare earths and of hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310886","7.774","","7.774","","7.774","","90","","90","","90","","469.822","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- La Pt2 -","- La Pt2 -","- La8 Pt16 -","8","0.0416667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare earths and of hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310887","7.694","","7.694","","7.694","","90","","90","","90","","455.467","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Nd Pt2 -","- Nd Pt2 -","- Nd8 Pt16 -","8","0.0416667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare earths and of hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310888","7.564","","7.564","","7.564","","90","","90","","90","","432.767","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Nd Rh2 -","- Nd Rh2 -","- Nd8 Rh16 -","8","0.0416667","","Compton, V.B.; Matthias, B.T.","Laves phase compounds of rare earths and of hafnium with noble metals","Acta Crystallographica (1,1948-23,1967)","1959","12","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310916","10.196","","7.77","","13.517","","90","","90","","90","","1070.86","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Zn Br4","","- Br4 Cs2 Zn -","- Br4 Cs2 Zn -","- Br16 Cs8 Zn4 -","4","0.5","","Morosin, B.; Lingafelter, E.C.","The Crystal Structure of Cesium Tetrabromozincate, Cs2 Zn Br4","Acta Crystallographica (1,1948-23,1967)","1959","12","","744","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310919","21.2","","4.06","","12.02","","90","","90","","90","","1034.58","","","","","","","","","","","","","6","P n a 21","P 2c -2n","33","","Pb (S C (N H2)2)2 Cl2","","- C2 H8 Cl2 N4 Pb S2 -","- C2 Cl2 N4 Pb S2 -","- C8 Cl8 N16 Pb4 S8 -","4","1","","Nardelli, M.; Fava, G.","The Crystal Structure of bis-Thiourea-Lead(II) Chloride","Acta Crystallographica (1,1948-23,1967)","1959","12","","727","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310926","4.51","","5.587","","9.7","","90","","90","","90","","244.414","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(N H3) (H2 O)","","- H5 N O -","- H5 N O -","- H20 N4 O4 -","4","1","","Olovsson, I.; Templeton, D. H.","The crystal structure of ammonia monohydrate","Acta Crystallographica (1,1948-23,1967)","1959","12","","827","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310927","5.138","","5.138","","5.138","","90","","90","","90","","135.638","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","N H3","","- H3 N -","- H3 N -","- H12 N4 -","4","0.333333","","Olovsson, I.; Templeton, D. H.","X-ray study of solid ammonia","Acta Crystallographica (1,1948-23,1967)","1959","12","11","832","836","10.1107/S0365110X59002420","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310928","9.47","","9.47","","4.589","","90","","90","","90","","411.546","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","V3 S","","- S V3 -","- S V3 -","- S8 V24 -","8","0.5","","Pedersen, B.; Gronvold, F.","The Crystal Structures of alpha-V3 S and beta-V3 S","Acta Crystallographica (1,1948-23,1967)","1959","12","","1022","1027","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310929","5.91","","7.17","","8.44","","90","","112.17","","90","","331.201","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Fe Cl2 (H2 O)4","","- Cl2 Fe H8 O4 -","- Cl2 Fe H8 O4 -","- Cl4 Fe2 H16 O8 -","2","0.5","","Penfold, B.R.; Grigor, J.A.","The crystal structure of iron(II) chloride tetrahydrate","Acta Crystallographica (1,1948-23,1967)","1959","12","","850","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310937","9.74","","9.74","","11.9","","90","","90","","120","","977.677","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Sr4 Pt O6","","- O6 Pt Sr4 -","- O6 Pt Sr4 -","- O36 Pt6 Sr24 -","6","0.166667","","Randall, J.J.; Katz, L.","The crystal structure of Sr4 Pt O6 and two related compounds","Acta Crystallographica (1,1948-23,1967)","1959","12","","519","521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310938","7.28","","7.28","","26.35999","","90","","90","","120","","1209.87","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","K (Au (C N)2)","","- C2 Au K N2 -","- C2 Au K N2 -","- C18 Au9 K9 N18 -","9","0.5","","Rosenzweig, A.; Cromer, D.T.","The crystal structure of K Au (C N)2","Acta Crystallographica (1,1948-23,1967)","1959","12","","709","712","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310942","10.87","","10.87","","3.96","","90","","90","","90","","467.901","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Nb O Cl3","","- Cl3 Nb O -","- Cl3 Nb O -","- Cl12 Nb4 O4 -","4","0.25","","Sands, D.E.; Zalkin, A.; Elson, R.E.","The crystal structure of Nb O Cl3","Acta Crystallographica (1,1948-23,1967)","1959","12","","21","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310943","17.31","","17.81","","6.079","","90","","95.7","","90","","1864.83","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Mo Cl5","","- Cl5 Mo -","- Cl5 Mo -","- Cl60 Mo12 -","12","1.5","","Sands, D.E.; Zalkin, A.","The Crystal Structure of Mo Cl5","Acta Crystallographica (1,1948-23,1967)","1959","12","","723","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310964","9.115","","9.115","","9.115","","90","","90","","90","","757.304","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cd In2 O4 -","- Cd In2 O4 -","- Cd8 In16 O32 -","8","0.0416667","","Skribljak, M.; Dasgupta, S.; Biswas, A.B.","The crystal structure of cadmium indate","Acta Crystallographica (1,1948-23,1967)","1959","12","","1049","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310966","9.25","","8.74","","5.32","","90","","90","","90","","430.095","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Mg (Si O3)","","- Mg O3 Si -","- Mg O3 Si -","- Mg8 O24 Si8 -","8","1","","Smith, J.V.","The crystal structure of proto-enstatite, Mg Si O3","Acta Crystallographica (1,1948-23,1967)","1959","12","","515","519","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310980","4.958","","4.958","","3.98","","90","","90","","120","","84.728","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Ni5 Pr -","- Ni5 Pr -","- Ni5 Pr -","1","0.0416667","","Wernick, J.H.; Geller, S.","Transition element - rare earth compounds with the Cu5Ca structure","Acta Crystallographica (1,1948-23,1967)","1959","12","","662","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310996","6.98","","6.98","","24.2","","90","","90","","90","","1179.03","","","","","","","","","","","","","3","P 41","P 4w","76","","I (Sb Cl8)","","- Cl8 I Sb -","- Cl8 I Sb -","- Cl32 I4 Sb4 -","4","1","","Vonk, C.G.; Wiebenga, E.H.","The crystal structure of I Sb Cl8 and I Al Cl6","Acta Crystallographica (1,1948-23,1967)","1959","12","","859","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310997","6.92","","11.02","","6.11","","90","","99.1","","90","","460.074","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","(I Cl2) (Al Cl4)","","- Al Cl6 I -","- Al Cl6 I -","- Al2 Cl12 I2 -","2","1","","Vonk, C.G.; Wiebenga, E.H.","The crystal structure of I Sb Cl8 and I Al Cl6","Acta Crystallographica (1,1948-23,1967)","1959","12","","859","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311007","3.86","","14.67","","22.8","","90","","90","","90","","1291.08","","","","","","","","","","","","","4","I m m m","-I 2 2","71","","","","- Cu20 Fe1.32 Pb2 S15 -","- Cu20 Fe1.32 Pb2 S15 -","- Cu40 Fe2.64 Pb4 S30 -","2","0.125","","Dornberger-Schiff, K.; Hahne, E.","Die Kristallstruktur des Bechtinit Pb2 (Cu Fe)21 S15","Acta Crystallographica (1,1948-23,1967)","1959","12","","646","651","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311015","9.739","","11.797","","26.27","","90","","90","","90","","3018.19","","","","","","","","","","","","","2","P m n b","-P 2bc 2a","62","","","","- P4 Se3 -","- P4 Se3 -","- P64 Se48 -","16","2","","Vos, A.; Keulen, E.","The crystal structure of P4 Se3","Acta Crystallographica (1,1948-23,1967)","1959","12","","323","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311023","7.31","","7.35","","19.61","","94.4","","90.17","","90.92","","1050.37","","","","","","","","","","","","","3","P -1","-P 1","2","","P4 S3 I2","","- I2 P4 S3 -","- I2 P4 S3 -","- I8 P16 S12 -","4","2","","Wright, D.A.; Penfold, B.R.","The Crystal and Molecular Structure of Phosphorus Thioiodide","Acta Crystallographica (1,1948-23,1967)","1959","12","","455","460","","","","","","","","","","","","","","","","","","","","","","has coordinates","169072","2020-10-21","18:00:00",""
"2311024","4.05","","4.05","","4.05","","73.5","","73.5","","73.5","","59.559","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","H Cl (H2 O)","","- Cl H3 O -","- Cl H3 O -","- Cl H3 O -","1","0.0833333","","Yoon, Y.K.; Carpenter, G.B.","The crystal structure of hydrogen chloride monohydrate","Acta Crystallographica (1,1948-23,1967)","1959","12","","17","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311044","4.926","","4.926","","3.988","","90","","90","","120","","83.806","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Co5 Dy -","- Co5 Dy -","- Co5 Dy -","1","0.0416667","","Wernick, J.H.; Geller, S.","Transition element - rare earth compounds with the Cu5Ca structure","Acta Crystallographica (1,1948-23,1967)","1959","12","","662","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311045","5.01","","5.01","","3.99","","90","","90","","120","","86.732","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Co5 Pr -","- Co5 Pr -","- Co5 Pr -","1","0.0416667","","Wernick, J.H.; Geller, S.","Transition element - rare earth compounds with the Cu5Ca structure","Acta Crystallographica (1,1948-23,1967)","1959","12","","662","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311046","4.928","","4.928","","3.992","","90","","90","","120","","83.958","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Co5 Y -","- Co5 Y -","- Co5 Y -","1","0.0416667","","Wernick, J.H.; Geller, S.","Transition element - rare earth compounds with the Cu5Ca structure","Acta Crystallographica (1,1948-23,1967)","1959","12","","662","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311047","5.018","","5.018","","4.117","","90","","90","","120","","89.779","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu5 Gd -","- Cu5 Gd -","- Cu5 Gd -","1","0.0416667","","Wernick, J.H.; Geller, S.","Transition element - rare earth compounds with the Cu5Ca structure","Acta Crystallographica (1,1948-23,1967)","1959","12","","662","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311048","4.948","","4.948","","3.977","","90","","90","","120","","84.323","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Nd Ni5 -","- Nd Ni5 -","- Nd Ni5 -","1","0.0416667","","Wernick, J.H.; Geller, S.","Transition element - rare earth compounds with the Cu5Ca structure","Acta Crystallographica (1,1948-23,1967)","1959","12","","662","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"3000344","5.752316","","4.525392","","5.382368","","90","","122.611","","90","","118.022","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 V -","- O2 V -","- O8 V4 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282558","2023-04-11","15:44:32",""
"3000345","5.756886","","4.528684","","5.383653","","90","","122.586","","90","","118.263","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 V0.989 W0.011 -","- O2 V0.9894 W0.0106 -","- O8 V3.9576 W0.0424 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282559","2023-04-11","15:45:54",""
"3000346","5.765868","","4.531848","","5.384223","","90","","122.645","","90","","118.465","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 V0.973 W0.027 -","- O2 V0.973 W0.027 -","- O8 V3.892 W0.108 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282560","2023-04-11","15:47:13",""
"3000347","4.554985","","4.554985","","2.854296","","90","","90","","90","","59.221","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.488 W0.012 -","- O V0.4875 W0.0125 -","- O4 V1.95 W0.05 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282561","2023-04-11","15:48:10",""
"3000348","5.740803","","4.593496","","5.356922","","90","","122.28","","90","","119.431","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 V0.957 W0.043 -","- O2 V0.96 W0.04 -","- O8 V3.84 W0.16 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282562","2023-04-11","15:49:12",""
"3000349","4.55898","","4.55898","","2.856885","","90","","90","","90","","59.378","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.481 W0.019 -","- O V0.48125 W0.01875 -","- O4 V1.925 W0.075 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282563","2023-04-11","15:50:05",""
"3000350","4.56274","","4.56274","","2.863021","","90","","90","","90","","59.604","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.468 W0.032 -","- O V0.4684 W0.0316 -","- O4 V1.8736 W0.1264 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282564","2023-04-11","15:51:08",""
"3000351","4.566021","","4.566021","","2.868822","","90","","90","","90","","59.811","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.455 W0.045 -","- O V0.45535 W0.04465 -","- O4 V1.8214 W0.1786 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282565","2023-04-11","15:51:59",""
"3000352","4.569537","","4.569537","","2.87232","","90","","90","","90","","59.976","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.448 W0.052 -","- O V0.44815 W0.05185 -","- O4 V1.7926 W0.2074 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282566","2023-04-11","15:53:03",""
"3000353","4.572685","","4.572685","","2.878604","","90","","90","","90","","60.19","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.425 W0.075 -","- O V0.4249 W0.0751 -","- O4 V1.6996 W0.3004 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282567","2023-04-11","15:53:54",""
"3000354","4.56124","0.00008","4.56124","0.00008","2.88795","0.00006","90","","90","","90","","60.0835","0.0019","90","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.462 W0.038 -","- O V0.46175 W0.03825 -","- O4 V1.847 W0.153 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","282568","2023-04-11","15:55:05",""
"3000355","4.56631","0.00009","4.56631","0.00009","2.88937","0.00006","90","","90","","90","","60.247","0.002","90","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.453 W0.047 -","- O V0.4526 W0.0474 -","- O4 V1.8104 W0.1896 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","282569","2023-04-11","15:56:27",""
"3000356","4.57222","0.00006","4.57222","0.00006","2.8669","0.00004","90","","90","","90","","59.9331","0.0014","90","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.433 W0.067 -","- O V0.43255 W0.06745 -","- O4 V1.7302 W0.2698 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","282570","2023-04-11","15:58:07",""
"3000362","5.70293","","4.55591","","5.39085","","90","","122.337","","90","","118.343","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.992 W0.008 -","- O2 V0.9916 W0.0084 -","- O8 V3.9664 W0.0336 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282571","2023-04-11","15:59:00",""
"3000363","4.54028","","4.54028","","2.86067","","90","","90","","90","","58.97","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.992 W0.008 -","- O V0.4958 W0.0042 -","- O4 V1.9832 W0.0168 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282572","2023-04-11","15:59:55",""
"3000364","5.77225","","4.54015","","5.40157","","90","","122.914","","90","","118.836","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.975 W0.025 -","- O2 V0.9753 W0.0247 -","- O8 V3.9012 W0.0988 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282573","2023-04-11","16:01:37",""
"3000365","4.5539","","4.5539","","2.85868","","90","","90","","90","","59.283","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.975 W0.025 -","- O V0.48765 W0.01235 -","- O4 V1.9506 W0.0494 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282574","2023-04-11","16:02:29",""
"3000366","4.55959","","4.55959","","2.85856","","90","","90","","90","","59.429","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.964 W0.036 -","- O V0.4818 W0.0182 -","- O4 V1.9272 W0.0728 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282575","2023-04-11","16:03:32",""
"3000367","4.56377","","4.56377","","2.86364","","90","","90","","90","","59.644","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.937 W0.063 -","- O V0.46845 W0.03155 -","- O4 V1.8738 W0.1262 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282576","2023-04-11","16:04:23",""
"3000368","4.56774","","4.56774","","2.86988","","90","","90","","90","","59.878","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.911 W0.089 -","- O V0.4553 W0.0447 -","- O4 V1.8212 W0.1788 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282577","2023-04-11","16:06:41",""
"3000369","4.5719","","4.5719","","2.87401","","90","","90","","90","","60.073","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.896 W0.104 -","- O V0.44785 W0.05215 -","- O4 V1.7914 W0.2086 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282578","2023-04-11","16:07:34",""
"3000370","4.57297","","4.57297","","2.87908","","90","","90","","90","","60.207","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.85 W0.15 -","- O V0.4249 W0.0751 -","- O4 V1.6996 W0.3004 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282579","2023-04-11","16:08:30",""
"3000375","5.755932","","4.528083","","5.385573","","90","","122.606","","90","","118.244","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.005 V0.995 -","- O2 Sc0.005 V0.995 -","- O8 Sc0.02 V3.98 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282580","2023-04-11","16:09:28",""
"3000376","5.755554","","4.527687","","5.384285","","90","","122.593","","90","","118.214","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.007 V0.993 -","- O2 Sc0.0075 V0.9925 -","- O8 Sc0.03 V3.97 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282581","2023-04-11","16:10:17",""
"3000377","5.756384","","4.528615","","5.386136","","90","","122.617","","90","","118.265","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.003 V0.997 -","- O2 Sc0.003 V0.997 -","- O8 Sc0.012 V3.988 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282582","2023-04-11","16:11:05",""
"3000378","5.754162","","4.527055","","5.384134","","90","","122.603","","90","","118.153","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.018 V0.982 -","- O2 Sc0.0175 V0.9825 -","- O8 Sc0.07 V3.93 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282583","2023-04-11","16:12:08",""
"3000379","5.755693","","4.527684","","5.383801","","90","","122.585","","90","","118.217","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.021 V0.979 -","- O2 Sc0.021 V0.979 -","- O8 Sc0.084 V3.916 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282584","2023-04-11","16:13:08",""
"3000380","5.756596","","4.528448","","5.386749","","90","","122.613","","90","","118.284","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.015 V0.985 -","- O2 Sc0.015 V0.985 -","- O8 Sc0.06 V3.94 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282585","2023-04-11","16:13:55",""
"3000381","5.755818","","4.52814","","5.384144","","90","","122.582","","90","","118.243","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.047 V0.953 -","- O2 Sc0.05 V0.95 -","- O8 Sc0.2 V3.8 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282586","2023-04-11","16:15:07",""
"3000382","5.753169","","4.526911","","5.381891","","90","","122.588","","90","","118.1","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cr0.005 O2 V0.995 -","- Cr0.005 O2 V0.995 -","- Cr0.02 O8 V3.98 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282587","2023-04-11","16:23:54",""
"3000383","9.065126","","5.767309","","4.522985","","90","","91.1962","","90","","236.416","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr0.02 O4 V1.98 -","- Cr0.02 O4 V1.98 -","- Cr0.08 O16 V7.92 -","4","0.5","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282588","2023-04-11","16:24:48",""
"3000384","9.064784","","5.791293","","4.526692","","90","","91.9246","","90","","237.503","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr0.06 O4 V1.94 -","- Cr0.06 O4 V1.94 -","- Cr0.24 O16 V7.76 -","4","0.5","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282589","2023-04-11","16:25:38",""
"3000450","23.456","","3.811","","24.879","","90","","90","","90","","2223.95","","79","","79","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C104 H80 N16 O24 -","8","2","","Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Zhao, Yakai; Fujimoto, Yushi; Nishizawa, Tomohiro; Kalita, Nabadeep; Tsuzuki, Seiji; Ito, Fuyuki; Ramamurty, Upadrasta; Thakuria, Ranjit; Kurisu, Genji","Mechanically-sensitive fluorochromism by molecular domino transformation in a Schiff base crystal","Journal of Materials Chemistry C","2024","12","","8508","8513","10.1039/D4TC00406J","","","0.02508","electrons","","0.1925","0.1215","","","0.2878","0.3097","","","","","","0.902","","","","has coordinates","292618","2024-06-27","06:00:06",""
"3000451","12.45","","5.735","","15.344","","90","","97.73","","90","","1085.62","","79","","79","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","","Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Zhao, Yakai; Fujimoto, Yushi; Nishizawa, Tomohiro; Kalita, Nabadeep; Tsuzuki, Seiji; Ito, Fuyuki; Ramamurty, Upadrasta; Thakuria, Ranjit; Kurisu, Genji","Mechanically-sensitive fluorochromism by molecular domino transformation in a Schiff base crystal","Journal of Materials Chemistry C","2024","12","","8508","8513","10.1039/D4TC00406J","","","0.02508","electrons","","0.1972","","","","0.4428","","","","","","","1.253","","","","has coordinates","292619","2024-06-27","06:05:14",""
"4000000","9.6395","0.0002","8.0062","0.0002","12.7395","0.0002","90","","97.0381","0.0011","90","","975.77","0.04","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Fe -","- C26 H26 Fe -","- C52 H52 Fe2 -","2","0.5","","Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L.","π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings","Chemistry of Materials","2000","12","6","1604","1610","10.1021/cm000093j","","","0.71073","MoKα","","0.0656","0.0534","","","0.1714","0.1871","","","","","","1.484","","","","has coordinates","178371","2020-10-21","18:00:00",""
"4000001","7.5442","0.0014","10.5836","0.0021","12.1279","0.0023","86.346","0.004","83.046","0.004","73.886","0.003","923","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 F5 Fe -","- C24 H17 F5 Fe -","- C48 H34 F10 Fe2 -","2","1","","Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L.","π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings","Chemistry of Materials","2000","12","6","1604","1610","10.1021/cm000093j","","","0.71073","MoKα","","0.0911","0.0565","","","0.1336","0.1557","","","","","","0.974","","","","has coordinates","178371","2020-10-21","18:00:00",""
"4000004","10.7378","0.0003","13.9667","0.0005","13.4215","0.0004","90","","108.263","0.0003","90","","1911.44","0.16","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H8 F10 Fe -","- C22 H8 F10 Fe -","- C88 H32 F40 Fe4 -","4","2","","Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L.","π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings","Chemistry of Materials","2000","12","6","1604","1610","10.1021/cm000093j","","","0.71073","MoKα","","0.1211","0.0981","","","0.2509","0.2857","","","","","","1.029","","","","has coordinates","178371","2020-10-21","18:00:00",""
"4000005","5.9556","0.0004","19.964","0.002","7.0281","0.0005","90","","90","","90","","835.6","0.1","293","2","293","2","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Sn3 Ti2 -","- Sn3 Ti2 -","- Sn24 Ti16 -","8","","","Kleinke, Holger; Waldeck, Markus; Gütlich, Philipp","Ti~2~Sn~3~: A Novel Binary Intermetallic Phase, Prepared by Chemical Transport at Intermediate Temperature","Chemistry of Materials","2000","12","8","2219","2224","10.1021/cm000131z","","","0.71073","MoKα","","0.0183","0.0116","","0.0256","0.0248","","","","0.785","0.852","0.852","","","","","has coordinates","178361","2020-10-21","18:00:00",""
"4000006","4.5376","0.001","11.4249","0.001","14.7464","0.001","75.604","0.01","83.876","0.01","83.047","0.01","732.69","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[EDT-TTF-CONHMe]2Cl.H2O","Bis[3-methylamido-3',4'-ethylenedithiotetrathiafulvalene] chloride, water solvate","","- C10 H9 Cl0.5 N O1.5 S6 -","- C10 H9 Cl0.603 N O1.397 S6 -","- C20 H18 Cl1.206 N2 O2.794 S12 -","2","1","","Heuzé, Karine; Mézière, Cécile; Fourmigué, Marc; Batail, Patrick; Coulon, Claude; Canadell, Enric; Auban-Senzier, Pascale; Jérome, Denis","An Efficient, Redox-Enhanced Pair of Hydrogen-Bond Tweezers for Chloride Anion Recognition, a Key Synthon in the Construction of a Novel Type of Organic Metal based on the Secondary Amide-Functionalized Ethylenedithiotetrathiafulvalene, β''-(EDT-TTF-CONHMe)~2~[Cl·H~2~O]","Chemistry of Materials","2000","12","7","1898","1904","10.1021/cm000143k","","","0.71073","MoKα","","0.1265","0.0446","","","0.0554","0.0668","","","","","","0.772","","","","has coordinates","178370","2020-10-21","18:00:00",""
"4000007","5.973","0.001","8.069","0.001","29.524","0.003","95.02","0.01","93.26","0.01","97.48","0.01","1402.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 O3 S -","- C30 H46 O3 S -","- C60 H92 O6 S2 -","2","1","","Lindsell, W. Edward; Preston, Peter N.; Seddon, John M.; Rosair, Georgina M.; Woodman, Thomas A. J.","Macroscopic Helical and Cylindrical Morphologies from Achiral 1,3-Diynes","Chemistry of Materials","2000","12","6","1572","1576","10.1021/cm000172v","","","0.71073","MoKα","","0.0619","0.0427","","","0.1067","0.1173","","","","","","1.022","","","","has coordinates","178370","2020-10-21","18:00:00",""
"4000008","14.805","0.003","7.485","0.001","21.038","0.004","90","","90","","90","","2331.3","0.7","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C2 H10 F Mn N2 O9 V3 -","- C2 H10 F Mn N2 O9 V3 -","- C16 H80 F8 Mn8 N16 O72 V24 -","8","1","","Law, Teresa S-C.; Williams, Ian D.","Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~]","Chemistry of Materials","2000","12","8","2070","2072","10.1021/cm000190c","","","0.71073","MoKα","","0.077","0.0439","","0.1351","0.1004","","","","1.041","1.089","1.089","","","","","has coordinates","178360","2020-10-21","18:00:00",""
"4000009","5.811","0.001","17.884","0.004","8.417","0.002","90","","101.04","0.01","90","","858.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H18 Mn N4 O12 V4 -","- C4 H18 Mn N4 O12 V4 -","- C8 H36 Mn2 N8 O24 V8 -","2","0.5","","Law, Teresa S-C.; Williams, Ian D.","Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~]","Chemistry of Materials","2000","12","8","2070","2072","10.1021/cm000190c","","","0.71073","MoKα","","0.0246","0.0222","","","0.0573","0.0586","","","","","","1.1","","","","has coordinates","178360","2020-10-21","18:00:00",""
"4000010","8.074","0.001","8.522","0.001","8.794","0.001","77.83","0.01","63.44","0.01","83.6","0.02","528.96","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H20 Mn N4 O18 V6 -","- C4 H20 Mn N4 O18 V6 -","- C4 H20 Mn N4 O18 V6 -","1","0.5","","Law, Teresa S-C.; Williams, Ian D.","Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~]","Chemistry of Materials","2000","12","8","2070","2072","10.1021/cm000190c","","","0.71073","MoKα","","0.0457","0.0426","","","0.1119","0.1154","","","","","","1.077","","","","has coordinates","178360","2020-10-21","18:00:00",""
"4000011","28.315","0.006","3.8719","0.0008","11.271","0.002","90","","90.45","0.03","90","","1235.6","0.4","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ce3.67 O3 Se6 Ti2 -","- Ce3.6884 O3 Se6 Ti2 -","- Ce14.7536 O12 Se24 Ti8 -","4","0.5","","Tougait, Olivier; Ibers, James A.","Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm)","Chemistry of Materials","2000","12","9","2653","2658","10.1021/cm000203m","","","0.71073","MoKα","","0.0286","0.0245","","","0.0589","0.0604","","","","","","1.015","","","","has coordinates","178370","2020-10-21","18:00:00",""
"4000012","28.121","0.006","3.8232","0.0008","11.179","0.002","90","","90.15","0.03","90","","1201.8","0.4","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Nd3.67 O3 Se6 Ti2 -","- Nd3.713 O3 Se6 Ti2 -","- Nd14.852 O12 Se24 Ti8 -","4","0.5","","Tougait, Olivier; Ibers, James A.","Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm)","Chemistry of Materials","2000","12","9","2653","2658","10.1021/cm000203m","","","0.71073","MoKα","","0.0322","0.0281","","","0.0689","0.0705","","","","","","1.206","","","","has coordinates","178370","2020-10-21","18:00:00",""
"4000013","27.961","0.006","3.7827","0.0008","11.128","0.002","90","","90.26","0.03","90","","1177","0.4","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- O3 Se6 Sm3.67 Ti2 -","- O3 Se6 Sm3.6434 Ti2 -","- O12 Se24 Sm14.5736 Ti8 -","4","0.5","","Tougait, Olivier; Ibers, James A.","Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm)","Chemistry of Materials","2000","12","9","2653","2658","10.1021/cm000203m","","","0.71073","MoKα","","0.0294","0.0253","","","0.0594","0.0607","","","","","","0.998","","","","has coordinates","178370","2020-10-21","18:00:00",""
"4000014","10.137","0.005","44.006","0.004","4.709","0.007","90","","90","","90","","2100","3","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 N4 Rb S12 Se8 Zn -","- C22 H16 N4 Rb0.25 S12 Se8 Zn0.25 -","- C44 H32 N8 Rb0.5 S24 Se16 Zn0.5 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0857","","","0.067","","","","","2.933","2.933","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000015","9.812","0.004","44.104","0.004","4.907","0.005","90","","90","","90","","2123","1","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 Co Cs N4 S12 Se8 -","- C22 H16 Co0.25 Cs0.25 N4 S12 Se8 -","- C44 H32 Co0.5 Cs0.5 N8 S24 Se16 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.1007","","","0.0705","","","","","3.126","3.126","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000016","9.818","0.006","44.13","0.005","4.906","0.007","90","","90","","90","","2125","2","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 Cs N4 S12 Se8 Zn -","- C22 H16 Cs0.25 N4 S12 Se8 Zn0.25 -","- C44 H32 Cs0.5 N8 S24 Se16 Zn0.5 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0673","","","0.0437","","","","","1.792","1.792","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000017","10.802","0.006","34.644","0.006","4.981","0.008","90","","117.44","0.05","90","","1654","3","298.2","","298.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H16 Ag N2 S8 Se8 -","- C20 H16 Ag0.5 N2 S8 Se8 -","- C40 H32 Ag N4 S16 Se16 -","2","0.5","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0577","","","0.0432","","","","","2.103","2.103","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000018","10.128","0.009","43.97","0.01","4.71","0.01","90","","90","","90","","2098","4","298.2","","298.2","","","","","","","","","7","I 2 2 2","I 2 2","23","","","","- C24 H16 Co N4 Rb S12 Se8 -","- C22 H16 Co0.25 N4 Rb0.25 S12 Se8 -","- C44 H32 Co0.5 N8 Rb0.5 S24 Se16 -","2","0.25","","Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko","Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts","Chemistry of Materials","2000","12","10","2984","2987","10.1021/cm000321+","","","0.7107","MoKa","","","0.0799","","","0.0476","","","","","3.412","3.412","","","","","has coordinates","178376","2020-10-21","18:00:00",""
"4000019","18.905","0.004","6.484","0.001","5.016","0.001","90","","90","","90","","614.9","0.2","100","1","100","1","","","","","","","","4","P c a 21","P 2c -2ac","29","m-nitroaniline","m-nitroaniline","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","","Goeta, Andrés E.; Wilson, Chick C.; Autino, Juan C.; Ellena, Javier; Punte, Graciela","Hydrogen Bonding in Nitroanilines: Neutron Diffraction Study of m-Nitroaniline at 100 K","Chemistry of Materials","2000","12","11","3342","3346","10.1021/cm001092u","","neutron","","neutron","","0.0529","0.0529","","","0.1377","0.1377","","","","","","1.117","","","","has coordinates","178334","2020-10-21","18:00:00",""
"4000020","24.691","0.001","24.691","0.001","14.556","0.001","90","","90","","90","","8873.5","0.9","153.2","","153.2","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C40 H43 Cu2 F8 N8 Nb O2 -","- C40 H40 Cu F4.5 N8 Nb0.25 O2.5 -","- C320 H320 Cu8 F36 N64 Nb2 O20 -","8","0.25","","Norquist, Alexander J.; Welk, Margaret E.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.","Synthesis of the Neutral (CuF(NC~5~H~5~)~4~)~2~NbOF~5~ Cluster","Chemistry of Materials","2000","12","7","1905","1909","10.1021/cm0001354","","","0.7107","MoKα","","0.0515","0.052","","0.042","","0.042","","","1.401","","","1.4","","","","has coordinates","277839","2022-09-14","18:07:02",""
"4000021","11.6493","0.0014","9.5395","0.0014","21.751","0.003","90","","90","","90","","2417.1","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Bis(EDT)ethane","1,2-bis(3',4'-(ethylendithio)-tetrathiafulvalen-3-yl)ethane","","- C18 H14 S12 -","- C18 H14 S12 -","- C72 H56 S48 -","4","0.5","","Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale","Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^","Chemistry of Materials","2000","12","8","2250","2256","10.1021/cm0001511","","","0.71073","MoKα","","0.3571","0.0546","","0.1133","0.0693","","","","0.914","1.157","1.157","","","","","has coordinates","178342","2020-10-21","18:00:00",""
"4000022","14.503","0.0014","13.9152","0.0014","31.148","0.003","90","","90.644","0.01","90","","6285.6","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(EDT-TTF)ethane,FeCl4,0.5 THF","1,2-Bis(ethylenedithiotetrathiafulvalene)ethane cation, tetrachloroferrate, THF solvate","","- C20 H18 Cl4 Fe O0.5 S12 -","- C20 H18 Cl4 Fe O0.5 S12 -","- C160 H144 Cl32 Fe8 O4 S96 -","8","1","","Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale","Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^","Chemistry of Materials","2000","12","8","2250","2256","10.1021/cm0001511","","","0.71073","MoKα","","0.2077","0.0458","","0.0728","0.0489","","","","0.686","0.962","0.962","","","","","has coordinates","178342","2020-10-21","18:00:00",""
"4000023","14.5016","0.0014","13.9153","0.0014","31.139","0.003","90","","90.804","0.01","90","","6283","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(EDT)ethane, GaCl4, 0.5 THF","1,2-bis(ethylenedithiotetrathiafulvalenyl)ethane, tetrachlorogallate, 1/2 tetrahydrofurane","","- C20 H18 Cl4 Ga O0.5 S12 -","- C20 H18 Cl4 Ga O0.5 S12 -","- C160 H144 Cl32 Ga8 O4 S96 -","8","1","","Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale","Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^","Chemistry of Materials","2000","12","8","2250","2256","10.1021/cm0001511","","","0.71073","MoKα","","0.0873","0.0479","","0.1138","0.1006","","","","0.933","1.084","1.084","","","","","has coordinates","178342","2020-10-21","18:00:00",""
"4000024","15.252","0.008","15.2516","","10.749","0.004","90","","90","","120","","2165","1","296.2","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ce9 F18 H67.5 N10.5 O27 -","- Ce9 F18 N10.5 O27 -","- Ce18 F36 N21 O54 -","2","0.111111","","Yu, Ranbo; Wang, Dan; Kumada, Nobuhiro; Kinomura, Nobukazu","Novel Open-Framework Material: Cerium Oxyfluoride with CeO~6~F~2~ Dodecahedron","Chemistry of Materials","2000","12","12","3527","3529","10.1021/cm0003830","","","0.7107","MoKα","","","0.0446","","","","0.0509","","","","","","1.9","","","","has coordinates","180555","2020-10-21","18:00:00",""
"4000025","8.8052","0.0002","11.7986","0.0002","17.7276","0.0003","75.884","0.001","86.163","0.001","77.333","0.001","1742.44","0.06","298","2","298","2","","","","","","","grown by electrocrystallization","5","P -1","-P 1","2","","Bis(ethylenedithio)tetrathiafulvalenium pentafluorothiomethylsulfonate","","- C21 H18 F5 O3 S18 -","- C21 H18 F5 O3 S18 -","- C42 H36 F10 O6 S36 -","2","1","","Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H.","Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^","Chemistry of Materials","2000","12","2","343","351","10.1021/cm990238q","","","0.71073","MoKα","","0.0686","0.0504","","0.1474","0.1319","","","","0.963","1.019","1.019","","","","","has coordinates,has disorder","178359","2020-10-21","18:00:00",""
"4000026","8.7965","0.0002","11.7264","0.0002","17.5763","0.0004","95.893","0.001","90.178","0.001","102.286","0.001","1761.55","0.06","293","2","293","2","","","","","","","grown by electrocrystallization","5","P -1","-P 1","2","","Bis(ethylenedithio)tetrathiafulvalenium pentafluorothiofluoromethylsulfonate","","- C21 H17 F6 O3 S18 -","- C21 H17 F6 O3 S18 -","- C42 H34 F12 O6 S36 -","2","1","","Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H.","Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^","Chemistry of Materials","2000","12","2","343","351","10.1021/cm990238q","","","0.71073","MoKα","","0.0647","0.0508","","","0.126","0.1378","","","","","","1.06","","","","has coordinates,has disorder","178359","2020-10-21","18:00:00",""
"4000027","7.6994","0.0002","13.1514","0.0002","17.6425","0.0004","81.323","0.001","87.416","0.001","74.994","0.001","1705.74","0.06","120","2","120","2","","","","","","","grown by electrocrystallization","5","P -1","-P 1","2","","Bis(ethylenedithio)tetrathiafulvalenium pentafluorothiodifluoromethylsulfonate","","- C21 H16 F7 O3 S18 -","- C21 H16 F7 O3 S18 -","- C42 H32 F14 O6 S36 -","2","1","","Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H.","Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^","Chemistry of Materials","2000","12","2","343","351","10.1021/cm990238q","","","0.71073","MoKα","","0.0653","0.045","","","0.1051","0.1161","","","","","","1.007","","","","has coordinates","178359","2020-10-21","18:00:00",""
"4000028","9.383","0.003","9.923","0.003","8.342","0.002","97.85","0.02","111.75","0.02","113.01","0.02","627","0.5","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H68 N6 O22 P4 Zr3 -","- C4 N6 O22 P4 Zr2.5 -","- C4 N6 O22 P4 Zr2.5 -","1","0.5","","Wang, Dan; Yu, Ranbo; Kumada, Nobuhiro; Kinomura, Nobukazu","Nonaqueous Synthesis and Characterization of a Novel Layered Zirconium Phosphate Templated with Mixed Organic and Inorganic Cations","Chemistry of Materials","2000","12","4","956","960","10.1021/cm990454z","","","0.7107","MoKα","","0.2028","0.0511","","0.0717","0.0563","","","","1.317","1.632","1.632","","","","","has coordinates","178372","2020-10-21","18:00:00",""
"4000029","8.6139","0.0004","14.929","0.001","9.3109","0.0004","90","","106.541","0.004","90","","1147.82","","293","","293","","","","","","","","solvothermal synthesis","6","C 1 c 1","C -2yc","9","","ethyldiammonium gallium dihydrogen phosphate diphosphate","","- C2 H12 Ga N2 O11 P3 -","- C2 H12 Ga N2 O11 P3 -","- C8 H48 Ga4 N8 O44 P12 -","4","1","","Chippindale, Ann M.","Amine-Templated Unidimensional Phosphate‒Diphosphates of Gallium and Vanadium, [NH~3~CH~2~CH~2~NH~3~][M(H~2~PO~4~)(P~2~O~7~)] (M = Ga, V)","Chemistry of Materials","2000","12","3","818","822","10.1021/cm990578b","","","1.5418","CuKα","","","0.0439","","","0.0503","","","","","1.1104","1.1104","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4000030","10.131","0.003","10.131","0.003","25.682","0.006","90","","90","","90","","2635.9","0.9","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 I O4 P -","- C28 H28 I O4 P -","- C112 H112 I4 O16 P4 -","4","1","","Bourgogne, Cyril; Fur, Yvette Le; Juen, Patrick; Masson, Patrick; Nicoud, Jean-François; Masse, René","Tetra(4-methoxyphenyl)phosphonium Iodide: A Twinned Crystal Built Up with Three-Dimensional Octupolar Nonlinear Optical Chromophores","Chemistry of Materials","2000","12","4","1025","1033","10.1021/cm991155c","","","0.5608","AgKα","","0.0482","0.048","","0.032","","0.032","","","1.163","","","1.16","","","","has coordinates","277839","2022-09-14","18:07:02",""
"4000693","15.119","0.006","11.23","0.006","8.327","0.006","90","","90","","90","","1413.8","1.4","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H14 I N5 S2 -","- C8 I N4 S2 -","- C32 I4 N16 S8 -","4","0.25","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","0.71073","MoKα","","","0.044","","","0.066","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000694","14.869","","11.312","","8.305","","90","","90","","90","","1396.89","","110","2","110","2","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C7 H14 I N5 S2 -","- C7 H14 I N5 S2 -","- C28 H56 I4 N20 S8 -","4","1","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","0.7107","MoKα","","","0.035","","","0.038","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000695","14.563","0.008","10.561","0.004","8.398","0.002","90","","90","","90","","1291.6","0.9","265","2","265","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H14 Cl N5 S2 -","- C8 Cl N4 S2 -","- C32 Cl4 N16 S8 -","4","0.25","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","1.54178","CuKα","","","0.0817","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000696","29.021","0.001","10.418","0.001","8.374","0.005","90","","90","","90","","2531.8","1.5","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H14 Cl N5 S2 -","- C6 Cl N6 S2 -","- C48 Cl8 N48 S16 -","8","1","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","1.54178","CuKα","","","0.0723","","","0.098","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000697","14.771","0.007","10.897","0.004","8.368","0.002","90","","90","","90","","1346.9","0.9","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H14 Br N5 S2 -","- C8 Br N4 S2 -","- C32 Br4 N16 S8 -","4","0.25","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","0.71073","MoKα","","","0.0408","","","0.047","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000698","44.128","0.006","10.789","0.0006","8.351","0.001","90","","90","","90","","3975.9","0.8","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C7 H14 Br N5 S2 -","- C8 Br N4 S2 -","- C96 Br12 N48 S24 -","12","1.5","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","1.5418","CuKα","","","0.059","","","0.057","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000699","14.431","0.002","10.984","0.002","8.291","0.005","90","","90","","90","","1314.2","0.8","100","2","100","2","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C7 H14 Br N5 S2 -","- C7 H14 Br N5 S2 -","- C28 H56 Br4 N20 S8 -","4","1","","Keith Prout; Stephen J. Heyes; Christopher M. Dobson; Andrew McDaid; Thierry Maris; Matthias Muller; Matthew J. Seaman","Variable-Temperature Studies of Order/Disorder Transitions in the Thiourea Pyridinium Halide Crystals by XRD and Solid-State 2H NMR","Chemistry of Material","2000","12","","3561","3569","10.1021/cm0001612","","","1.5418","CuKα","","","0.0347","","","0.05","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001727","7.575","","5.92","","12.148","","90","","113.56","","90","","499.354","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","K2 (Ag2 Sn Se4)","","- Ag2 K2 Se4 Sn -","- Ag2 K2 Se4 Sn -","- Ag4 K4 Se8 Sn2 -","2","0.5","","Fu, A.-H.; Chen, X.; Huang, X.-Y.; Guo, H.-Y.; Li, J.; Zhang, L.-D.","From 1D chain to 3D network: syntheses, structures, and 1D properties of K2 Mn Sn2 Se6, K2 Mn Sn Se4, and K2 Ag2 Sn Se4","Chemistry of Materials (1,1989-)","2000","12","","2385","2391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001751","5.1328","","5.1328","","16.65189","","90","","90","","120","","379.929","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Nd5 Co19 B6","","- B6 Co19 Nd5 -","- B6 Co19 Nd5 -","- B6 Co19 Nd5 -","1","0.0416667","","Liang, J.K.; Rao, G.-H.; Chen, X.L.; Li, X.; Jin, L.P.; Liu, Q.L.; Shen, B.-G.; Wang, M.Z.; Chen, Y.","Phase relation, crystal structures and magnetic properties of Nd - Co - B borides","Chemistry of Materials (1,1989-)","2000","12","","1240","1247","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001896","8.2483","0.0006","8.2483","0.0006","8.2483","0.0006","90","","90","","90","","561.17","0.07","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Akimoto, Junji; Takahashi, Yasuhiko; Gotoh, Yoshito; Mizuta, Susumu","Single crystal X-ray diffraction study of the spinel-type LiMn~2~O~4~","Chemistry of Materials","2000","12","11","3246","3248","10.1021/cm0003673","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002219","5.415","","5.5224","","7.7066","","90","","89.969","","90","","230.457","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ca2 (Fe Mo O6)","","- Ca2 Fe Mo O6 -","- Ca2 Fe Mo O6 -","- Ca4 Fe2 Mo2 O12 -","2","0.5","","Alonso, J.A.; Casais, M.T.; Velasco, P.; Martinez-Lopez, M.J.; Martinez, J.L.; Munoz, A.; Fernandez-Diaz, M.T.","Preparation, crystal structure, and magnetic and magnetotransport properties of the double perovskite Ca2 Fe Mo O6","Chemistry of Materials (1,1989-)","2000","12","","161","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002220","7.2219","","10.0354","","12.9278","","90","","91.447","","90","","936.639","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K1.2 H0.8 Ti (Si3 O9) (H2 O)1.8","","- H4.4 K1.2 O10.8 Si3 Ti -","- K1.2 O10.8 Si3 Ti -","- K4.8 O43.2 Si12 Ti4 -","4","1","","Bortun, A.I.; Poojary, D.M.; Bortun, L.N.; Clearfield, A.; Xiang, O.-Y.","Synthesis, characterization, and ion exchange behaviour of a framework potassium titanium trisilicate K2 Ti Si3 O9 . (H2 O) and its protonated phases","Chemistry of Materials (1,1989-)","2000","12","","294","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002221","9.683","","9.683","","9.518","","90","","90","","120","","772.852","","","","","","","","","","","","","4","P -6","P -6","174","","Ba3 Co2 O6 (C O3)0.6","","- C0.6 Ba3 Co2 O7.8 -","- C0.595 Ba3 Co2 O7.785 -","- C2.38 Ba12 Co8 O31.14 -","4","0.666667","","Boulahya, K.; Amador, U.; Parras, M.; Gonzalez-Calbet, J.M.","The oxycarbonate Ba3 Co2 O6 (C O3)0.60 with a 2H-(A B O3)-related structure","Chemistry of Materials (1,1989-)","2000","12","","966","972","","","","","","","","","","","","","","","","","","","","","","has coordinates","140443","2020-10-21","18:00:00",""
"4002222","7.386","","22.45399","","14.018","","90","","90","","90","","2324.82","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","(C14 N2 H30) (Si18 O36 (O H)2) (H2 O)2","","- C14 O38 Si18 -","- C14 O38 Si18 -","- C28 O76 Si36 -","2","0.125","","Burton, A.; Accardi, R.J.; Lobo, R.F.; Deem, M.W.; Falcioni, M.","MCM-47: a highly crystalline silicate composed of hydrogen-bonded ferrierite layers","Chemistry of Materials (1,1989-)","2000","12","","2936","2942","","","","","","","","","","","","","","","","","","","","","","has coordinates","140492","2020-10-21","18:00:00",""
"4002223","7.1678","","7.9291","","4.89409","","86.874","","102.686","","113.792","","248.119","","","","","","","","","","","","","4","P -1","-P 1","2","","Ho2 (Cu Ge4 O12)","","- Cu Ge4 Ho2 O12 -","- Cu Ge4 Ho2 O12 -","- Cu Ge4 Ho2 O12 -","1","0.5","","Cascales, C.; Monge, M.A.; Fernandez Diaz, M.T.","Low-temperature magnetic ordering in rare-earth copper germanates R2 Cu Ge4 O12, R = Ho, Er","Chemistry of Materials (1,1989-)","2000","12","","3369","3375","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002224","7.1594","","7.9205","","4.9075","","86.926","","102.651","","113.735","","248.376","","","","","","","","","","","","","4","P -1","-P 1","2","","Er2 (Cu Ge4 O12)","","- Cu Er2 Ge4 O12 -","- Cu Er2 Ge4 O12 -","- Cu Er2 Ge4 O12 -","1","0.5","","Cascales, C.; Fernandez Diaz, M.T.; Monge, M.A.","Low-temperature magnetic ordering in rare-earth copper germanates R2 Cu Ge4 O12, R = Ho, Er","Chemistry of Materials (1,1989-)","2000","12","","3369","3375","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002225","8.167","","8.167","","19.724","","90","","90","","90","","1315.59","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","K2 (Mn Sn2 Se6)","","- K2 Mn Se6 Sn2 -","- K2 Mn Se6 Sn2 -","- K8 Mn4 Se24 Sn8 -","4","0.25","","Chen, X.; Huang, X.-Y.; Fu, A.-H.; Li, J.; Zhang, L.-D.; Guo, H.-Y.","From 1D chain to 3D network: syntheses, structures, and 1D properties of K2 Mn Sn2 Se6, K2 Mn Sn Se4, and K2 Ag2 Sn Se4","Chemistry of Materials (1,1989-)","2000","12","","2385","2391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002226","10.574","","10.574","","8.301","","90","","90","","90","","928.13","","","","","","","","","","","","","4","P -4 n 2","P -4 -2n","118","","K2 (Mn Sn Se4)","","- K2 Mn Se4 Sn -","- K2 Mn Se4 Sn -","- K8 Mn4 Se16 Sn4 -","4","0.5","","Chen, X.; Zhang, L.-D.; Huang, X.-Y.; Fu, A.-H.; Li, J.; Guo, H.-Y.","From 1D chain to 3D network: syntheses, structures, and 1D properties of K2 Mn Sn2 Se6, K2 Mn Sn Se4, and K2 Ag2 Sn Se4","Chemistry of Materials (1,1989-)","2000","12","","2385","2391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002227","7.652","","7.652","","4.96","","90","","90","","90","","290.423","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Y2 (Si3 O3 N4)","","- N4 O3 Si3 Y2 -","- N4 O3 Si3 Y2 -","- N8 O6 Si6 Y4 -","2","0.25","","Fang, C.M.; de Wijs, G.A.; de Groot, R.A.; Metselaar, R.; Hintzen, H.T.; de With, G.","O/N ordering in Y2 Si3 O3 N4 with the melilite-type structure from first-principles calculations","Chemistry of Materials (1,1989-)","2000","12","","1071","1075","","","","","","","","","","","","","","","","","","","","","","has coordinates","140594","2020-10-21","18:00:00",""
"4002228","5.6991","","5.6991","","4.8148","","90","","90","","120","","135.432","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ba (Mn O3)","","- Ba Mn O3 -","- Ba Mn O3 -","- Ba2 Mn2 O6 -","2","0.0833333","","Cussen, E.J.; Battle, P.D.","Crystal and magnetic structures of 2H Ba Mn O3","Chemistry of Materials (1,1989-)","2000","12","","831","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002229","9.8467","","9.8467","","4.8075","","90","","90","","120","","403.675","","","","","","","","","","","","","3","P 63 c m","P 6c -2","185","","Ba (Mn O3)","","- Ba Mn O3 -","- Ba Mn O3 -","- Ba6 Mn6 O18 -","6","0.5","","Cussen, E.J.; Battle, P.D.","Crystal and magnetic structures of 2H Ba Mn O3","Chemistry of Materials (1,1989-)","2000","12","","831","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002230","5.8003","","5.8003","","38.958","","90","","90","","120","","1135.08","","","","","","","","","","","","","4","P -6 m 2","P -6 2","187","","","","- Ba4 Ca0.9 Mn3.1 O11.5 -","- Ba4 Ca0.9 Mn3.1 O11.5 -","- Ba16 Ca3.6 Mn12.4 O46 -","4","0.333333","","Floros, N.; Michel, C.; Hervieu, M.; Raveau, B.","A new hexagonal 16L perovskite-related structure: Ba4 Ca1-x Mn3+x O12-d","Chemistry of Materials (1,1989-)","2000","12","","3197","3201","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002231","7.2014","","7.2014","","7.2014","","90","","90","","90","","373.466","","","","","","","","","","","","","3","P 21 3","P 2ac 2ab 3","198","","(La2 Mo2 O9)0.889","","- La1.778 Mo1.778 O8.001 -","- La1.778 Mo1.778 O8 -","- La3.556 Mo3.556 O16 -","2","0.166667","","Goutenoire, F.; Isnard, O.; Retoux, R.; Lacorre, P.","Crystal structure of La2 Mo2 O9, a new fast oxide-ion conductor","Chemistry of Materials (1,1989-)","2000","12","","2575","2580","","","","","","","","","","","","","","","","","","","","","","has coordinates","140725","2020-10-21","18:00:00",""
"4002232","12.544","","8.934","","11.3222","","90","","90","","90","","1268.86","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Rb2 (Te Mo2 O6 (P O4)2)","","- Mo2 O14 P2 Rb2 Te -","- Mo2 O14 P2 Rb2 Te -","- Mo8 O56 P8 Rb8 Te4 -","4","0.5","","Guesdon, A.; Raveau, B.","A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs)","Chemistry of Materials (1,1989-)","2000","12","","2239","2243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002233","19.202","","5.4561","","5.415","","90","","90","","90","","567.319","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","La Ca2 (Mn2 O7)","","- Ca2 La Mn2 O7 -","- Ca2 La Mn2 O7 -","- Ca8 La4 Mn8 O28 -","4","0.25","","Green, M.A.; Neumann, D.A.","Synthesis, structure and electronic properties of La Ca2 Mn2 O7","Chemistry of Materials (1,1989-)","2000","12","","90","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002234","12.503","","8.912","","11.3","","90","","90","","90","","1259.12","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Tl2 (Te Mo2 O6 (P O4)2)","","- Mo2 O14 P2 Te Tl2 -","- Mo2 O14 P2 Te Tl2 -","- Mo8 O56 P8 Te4 Tl8 -","4","0.5","","Guesdon, A.; Raveau, B.","A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs)","Chemistry of Materials (1,1989-)","2000","12","","2239","2243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002235","12.367","","9.4907","","11.515","","90","","90","","90","","1351.53","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Cs2 (Te Mo2 O6 (P O4)2)","","- Cs2 Mo2 O14 P2 Te -","- Cs2 Mo2 O14 P2 Te -","- Cs8 Mo8 O56 P8 Te4 -","4","0.5","","Guesdon, A.; Raveau, B.","A series of Mo(VI) monophosphates involving the lone pair cation Te(IV): A2 Te Mo2 O6 (P O4)2 (A = K, Rb, Tl, Cs) D","Chemistry of Materials (1,1989-)","2000","12","","2239","2243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002236","10.1715","","10.1715","","10.1715","","90","","90","","90","","1052.34","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Y2) (Mn Sb3) O14","","- Mn3 O14 Sb3 Y2 -","- Mn3 O14 Sb3 Y2 -","- Mn12 O56 Sb12 Y8 -","4","0.0208333","","Garcia Casado, P.; Alonso, J.A.; Rasines, I.; Fernandez, M.T.; Martinez, J.L.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140785","2020-10-21","18:00:00",""
"4002237","10.1227","","10.1227","","10.1227","","90","","90","","90","","1037.26","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 In2) (Mn Sb3) O14","","- In2 Mn3 O14 Sb3 -","- In2 Mn3 O14 Sb3 -","- In8 Mn12 O56 Sb12 -","4","0.0208333","","Garcia Casado, P.; Alonso, J.A.; Martinez, J.L.; Fernandez, M.T.; Rasines, I.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140787","2020-10-21","18:00:00",""
"4002238","10.347","","10.347","","10.347","","90","","90","","90","","1107.75","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 La2) (Mn Sb3) O14","","- La2 Mn3 O14 Sb3 -","- La2 Mn3 O14 Sb3 -","- La8 Mn12 O56 Sb12 -","4","0.0208333","","Garcia Casado, P.; Alonso, J.A.; Martinez, J.L.; Fernandez, M.T.; Rasines, I.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140789","2020-10-21","18:00:00",""
"4002239","10.3014","","10.3014","","10.3014","","90","","90","","90","","1093.17","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Pr2) (Mn Sb3) O14","","- Mn3 O14 Pr2 Sb3 -","- Mn3 O14 Pr2 Sb3 -","- Mn12 O56 Pr8 Sb12 -","4","0.0208333","","Garcia Casado, P.; Martinez, J.L.; Alonso, J.A.; Fernandez, M.T.; Rasines, I.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140791","2020-10-21","18:00:00",""
"4002240","10.2809","","10.2809","","10.2809","","90","","90","","90","","1086.66","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Nd2) (Mn Sb3) O14","","- Mn3 Nd2 O14 Sb3 -","- Mn3 Nd2 O14 Sb3 -","- Mn12 Nd8 O56 Sb12 -","4","0.0208333","","Garcia Casado, P.; Alonso, J.A.; Martinez, J.L.; Fernandez, M.T.; Rasines, I.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140793","2020-10-21","18:00:00",""
"4002241","10.2297","","10.2297","","10.2297","","90","","90","","90","","1070.51","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Eu2) (Mn Sb3) O14","","- Eu2 Mn3 O14 Sb3 -","- Eu2 Mn3 O14 Sb3 -","- Eu8 Mn12 O56 Sb12 -","4","0.0208333","","Garcia Casado, P.; Alonso, J.A.; Martinez, J.L.; Fernandez, M.T.; Rasines, I.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140795","2020-10-21","18:00:00",""
"4002242","10.219","","10.219","","10.219","","90","","90","","90","","1067.15","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Gd2) (Mn Sb3) O14","","- Gd2 Mn3 O14 Sb3 -","- Gd2 Mn3 O14 Sb3 -","- Gd8 Mn12 O56 Sb12 -","4","0.0208333","","Garcia Casado, P.; Martinez, J.L.; Alonso, J.A.; Fernandez, M.T.; Rasines, I.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140797","2020-10-21","18:00:00",""
"4002243","10.2083","","10.2083","","10.2083","","90","","90","","90","","1063.8","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Tb2) (Mn Sb3) O14","","- Mn3 O14 Sb3 Tb2 -","- Mn3 O14 Sb3 Tb2 -","- Mn12 O56 Sb12 Tb8 -","4","0.0208333","","Garcia Casado, P.; Alonso, J.A.; Martinez, J.L.; Rasines, I.; Fernandez, M.T.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140799","2020-10-21","18:00:00",""
"4002244","10.1871","","10.1871","","10.1871","","90","","90","","90","","1057.19","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Dy2) (Mn Sb3) O14","","- Dy2 Mn3 O14 Sb3 -","- Dy2 Mn3 O14 Sb3 -","- Dy8 Mn12 O56 Sb12 -","4","0.0208333","","Garcia Casado, P.; Alonso, J.A.; Fernandez, M.T.; Martinez, J.L.; Rasines, I.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140800","2020-10-21","18:00:00",""
"4002245","10.1714","","10.1714","","10.1714","","90","","90","","90","","1052.31","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Ho2) (Mn Sb3) O14","","- Ho2 Mn3 O14 Sb3 -","- Ho2 Mn3 O14 Sb3 -","- Ho8 Mn12 O56 Sb12 -","4","0.0208333","","Garcia Casado, P.; Alonso, J.A.; Martinez, J.L.; Fernandez, M.T.; Rasines, I.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140802","2020-10-21","18:00:00",""
"4002246","10.1591","","10.1591","","10.1591","","90","","90","","90","","1048.49","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Er2) (Mn Sb3) O14","","- Er2 Mn3 O14 Sb3 -","- Er2 Mn3 O14 Sb3 -","- Er8 Mn12 O56 Sb12 -","4","0.0208333","","Garcia Casado, P.; Alonso, J.A.; Martinez, J.L.; Fernandez, M.T.; Rasines, I.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140804","2020-10-21","18:00:00",""
"4002247","10.1515","","10.1515","","10.1515","","90","","90","","90","","1046.14","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Tm2) (Mn Sb3) O14","","- Mn3 O14 Sb3 Tm2 -","- Mn3 O14 Sb3 Tm2 -","- Mn12 O56 Sb12 Tm8 -","4","0.0208333","","Garcia Casado, P.; Rasines, I.; Alonso, J.A.; Fernandez, M.T.; Martinez, J.L.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140806","2020-10-21","18:00:00",""
"4002248","10.1386","","10.1386","","10.1386","","90","","90","","90","","1042.16","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Yb2) (Mn Sb3) O14","","- Mn3 O14 Sb3 Yb2 -","- Mn3 O14 Sb3 Yb2 -","- Mn12 O56 Sb12 Yb8 -","4","0.0208333","","Garcia Casado, P.; Alonso, J.A.; Rasines, I.; Martinez, J.L.; Fernandez, M.T.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140808","2020-10-21","18:00:00",""
"4002249","10.1316","","10.1316","","10.1316","","90","","90","","90","","1040","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","(Mn2 Lu2) (Mn Sb3) O14","","- Lu2 Mn3 O14 Sb3 -","- Lu2 Mn3 O14 Sb3 -","- Lu8 Mn12 O56 Sb12 -","4","0.0208333","","Garcia Casado, P.; Rasines, I.; Alonso, J.A.; Martinez, J.L.; Fernandez, M.T.","A new family of manganese(II,III) - rare earth pyrochlores","Chemistry of Materials (1,1989-)","2000","12","","1217","1221","","","","","","","","","","","","","","","","","","","","","","has coordinates","140810","2020-10-21","18:00:00",""
"4002250","7.6209","","7.6209","","6.32","","90","","90","","90","","367.054","","","","","","","","","","","","","4","P -4","P -4","81","","Cu2 Te2 O5 Cl2","","- Cl2 Cu2 O5 Te2 -","- Cl2 Cu2 O5 Te2 -","- Cl4 Cu4 O10 Te4 -","2","0.5","","Johnsson, M.; Tornroos, K.W.; Mila, F.; Millet, P.","Tetrahedral clusters of copper(II): crystal structures and magnetic properties of Cu2 Te2 O5 X2 (X = Cl, Br)","Chemistry of Materials (1,1989-)","2000","12","","2853","2857","","","","","","","","","","","","","","","","","","","","","","has coordinates","140936","2020-10-21","18:00:00",""
"4002251","7.8355","","7.8355","","6.3785","","90","","90","","90","","391.608","","","","","","","","","","","","","4","P -4","P -4","81","","Cu2 Te2 O5 Br2","","- Br2 Cu2 O5 Te2 -","- Br2 Cu2 O5 Te2 -","- Br4 Cu4 O10 Te4 -","2","0.5","","Johnsson, M.; Tornroos, K.W.; Mila, F.; Millet, P.","Tetrahedral clusters of copper(II): crystal structures and magnetic properties of Cu2 Te2 O5 X2 (X = Cl, Br)","Chemistry of Materials (1,1989-)","2000","12","","2853","2857","","","","","","","","","","","","","","","","","","","","","","has coordinates","140938","2020-10-21","18:00:00",""
"4002252","11.21661","","11.21661","","11.21661","","90","","90","","90","","1411.19","","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","K3.07 Ba2.90 C60","","- C60 Ba2.9 K3.07 -","- C60 Ba2.904 K3.072 -","- C120 Ba5.808 K6.144 -","2","0.0416667","","Margadonna, S.; Aslanis, E.; Li, W.Z.; Prassides, K.; Fitch, A.N.; Hansen, T.C.","Crystal structure of superconducting K3 Ba3 C60 : a combined synchrotron X-ray and neutron diffraction study","Chemistry of Materials (1,1989-)","2000","12","","2736","2740","","","","","","","","","","","","","","","","","","","","","","has coordinates","141035","2020-10-21","18:00:00",""
"4002253","8.727","","8.727","","21.80779","","90","","90","","120","","1438.38","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na3 Fe2 (P O4)3","","- Fe2 Na3 O12 P3 -","- Fe2 Na3.01 O12 P3 -","- Fe12 Na18.06 O72 P18 -","6","0.166667","","Masquelier, C.; Wurm, C.; Rodriguez-Carvajal, J.; Gaubicher, J.; Nazar, L.","A powder neutron diffraction investigation of the two rhombohedral NASICON analogues: gamma-(Na3 Fe2 (P O4)3) and Li3 Fe2 (P O4)3","Chemistry of Materials (1,1989-)","2000","12","","525","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","141040","2020-10-21","18:00:00",""
"4002254","8.3162","","8.3162","","22.459","","90","","90","","120","","1345.15","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li3 Fe2 (P O4)3","","- Fe2 Li3 O12 P3 -","- Fe2 Li3 O12 P3 -","- Fe12 Li18 O72 P18 -","6","0.333333","","Masquelier, C.; Rodriguez-Carvajal, J.; Wurm, C.; Gaubicher, J.; Nazar, L.","A powder neutron diffraction investigation of the two rhombohedral NASICON analogues: gamma-(Na3 Fe2 (P O4)3) and Li3 Fe2 (P O4)3","Chemistry of Materials (1,1989-)","2000","12","","525","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","141041","2020-10-21","18:00:00",""
"4002255","5.9207","","3.4249","","6.3836","","90","","107.96","","90","","123.138","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","In0.99 Ti0.76 Fe0.25 O3.36","","- Fe0.25 In0.99 O3.36 Ti0.76 -","- Fe0.25 In0.99 O3.36 Ti0.76 -","- Fe0.5 In1.98 O6.72 Ti1.52 -","2","0.25","","Michiue, Y.; Onoda, M.; Brown, F.; Kimizuka, N.; Nakamura, M.; Watanabe, M.; Orita, M.; Ohta, H.","Crystal structure of In Ti0.75 Fe0.25 O3.375 and phase relations in the pseudobinary system In Fe O3 - In2 Ti2 O7 at 1300 C","Chemistry of Materials (1,1989-)","2000","12","","2244","2249","","","","","","","","","","","","","","","","","","","","","","has coordinates","141065","2020-10-21","18:00:00",""
"4002256","6.02","","6.02","","14.726","","90","","90","","120","","462.177","","","","","","","","","","","","","3","R 3 :H","R 3","146","","(Li0.275 Ni0.725) O","","- Li0.275 Ni0.725 O -","- Li0.275 Ni0.725 O -","- Li6.6 Ni17.4 O24 -","24","2.66667","","Monge, M.A.; Gutierrez-Puebla, E.; Martinez, J.L.; Campa, J.A.; Rasines, I.","Cation distribution in lithium nickel oxide crystals","Chemistry of Materials (1,1989-)","2000","12","","2001","2007","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002257","18.937","","18.937","","12.484","","90","","90","","120","","3877.1","","","","","","","","","","","","","4","P 31","P 31","144","","K5 (Co W12 O40) (H2 O)20","","- Co K2 O52 W12 -","- Co K2 O52 W12 -","- Co3 K6 O156 W36 -","3","1","","Muncaster, G.; Thomas, J.M.; Catlow, C.R.A.; Sankar, G.; Coles, S.J.; Hursthouse, M.","The local structure of tetrahedral Co(III): a detailed crystal structure investigation of K5 Co(III) W12 O40 . 20(H2 O)","Chemistry of Materials (1,1989-)","2000","12","","16","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002258","10.3369","","8.2125","","5.0074","","90","","90","","90","","425.087","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","Li (Al Si O4) (H2 O)","","- Al H2 Li O5 Si -","- Al Li O5 Si -","- Al4 Li4 O20 Si4 -","4","1","","Norby, P.; Hanson, J.C.; Fitch, A.N.; Vaughan, G.; Flaks, L.; Gualtieri, A.","Formation of alpha-eucryptite, Li Al Si O4: an in-situ synchrotron X-ray powder diffraction study of a high temperature hydrothermal synthesis","Chemistry of Materials (1,1989-)","2000","12","","1473","1479","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002259","8.605","","4.951","","10.06","","90","","90","","90","","428.59","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Li0.667 (Ni0.333 Mn0.667) O2","","- Li0.667 Mn0.667 Ni0.333 O2 -","- Li0.666667 Mn0.666667 Ni0.333333 O2 -","- Li8 Mn8 Ni4 O24 -","12","","","Paulsen, J.M.; Donaberger, R.A.; Dahn, J.R.","Layered T2-, O6-, O2-, and P2-type A2/3 (M'(2+)1/3 M(4+)2/3) O2 bronzes, A = Li, Na; M' = Ni, Mg; M = Mn, Ti","Chemistry of Materials (1,1989-)","2000","12","","2257","2267","","","","","","","","","","","","","","","","","","","","","","has coordinates","141093","2020-10-21","18:00:00",""
"4002260","2.885","","2.885","","11.155","","90","","90","","120","","80.407","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Na0.58 (Ni0.333 Mn0.667) O1.95","","- Mn0.667 Na0.58 Ni0.333 O1.95 -","- Mn0.667 Na0.58 Ni0.333 O1.95 -","- Mn1.334 Na1.16 Ni0.666 O3.9 -","2","0.0833333","","Paulsen, J.M.; Donaberger, R.A.; Dahn, J.R.","Layered T2-, O6-, O2-, and P2-type A2/3 (M'(2+)1/3 M(4+)2/3) O2 bronzes, A = Li, Na; M' = Ni, Mg; M = Mn, Ti","Chemistry of Materials (1,1989-)","2000","12","","2257","2267","","","","","","","","","","","","","","","","","","","","","","has coordinates","141094","2020-10-21","18:00:00",""
"4002261","4.926","","8.532","","9.706","","90","","99.74","","90","","402.05","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Li0.667 (Mg0.3 Mn0.7) O2","","- Mg0.3 Mn0.7 O2 -","- Mg0.3 Mn0.7 O2 -","- Mg3.6 Mn8.4 O24 -","12","1.5","","Paulsen, J.M.; Donaberger, R.A.; Dahn, J.R.","Layered T2-, O6-, O2-, and P2-type A2/3 (M'(2+)1/3 M(4+)2/3) O2 bronzes, A = Li, Na; M' = Ni, Mg; M = Mn, Ti","Chemistry of Materials (1,1989-)","2000","12","","2257","2267","","","","","","","","","","","","","","","","","","","","","","has coordinates","141095","2020-10-21","18:00:00",""
"4002262","5.009","","5.009","","11.218","","90","","90","","120","","243.752","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","Na0.547 (Mg0.25 Mn0.75) O2.09","","- Mg0.25 Mn0.75 Na0.547 O2.09 -","- Mg0.25 Mn0.75 Na0.546333 O2.09 -","- Mg1.5 Mn4.5 Na3.278 O12.54 -","6","0.25","","Paulsen, J.M.; Donaberger, R.A.; Dahn, J.R.","Layered T2-, O6-, O2-, and P2-type A2/3 (M'(2+)1/3 M(4+)2/3) O2 bronzes, A = Li, Na; M' = Ni, Mg; M = Mn, Ti","Chemistry of Materials (1,1989-)","2000","12","","2257","2267","","","","","","","","","","","","","","","","","","","","","","has coordinates","141096","2020-10-21","18:00:00",""
"4002263","9.661","","9.661","","9.661","","90","","90","","90","","901.709","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ga V4 S8","","- Ga S8 V4 -","- Ga S8 V4 -","- Ga4 S32 V16 -","4","0.0416667","","Pocha, R.; Johrendt, D.; Poettgen, R.","Electronic and structural instabilities in Ga V4 S8 and Ga Mo4 S8","Chemistry of Materials (1,1989-)","2000","12","","2882","2887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002264","6.799","","6.799","","16.782","","90","","90","","120","","671.838","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","Ga V4 S8","","- Ga S8 V4 -","- Ga S8 V4 -","- Ga3 S24 V12 -","3","0.166667","","Pocha, R.; Poettgen, R.; Johrendt, D.","Electronic and structural instabilities in Ga V4 S8 and Ga Mo4 S8","Chemistry of Materials (1,1989-)","2000","12","","2882","2887","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002265","7.1964","","7.0367","","5.5139","","84.44","","113.462","","112.319","","236.459","","","","","","","","","","","","","4","P -1","-P 1","2","","Na0.886 (Bi3.114 V2 O9.792)","","- Bi3.114 Na0.886 O9.792 V2 -","- Bi3.114 Na0.886 O9.792 V2 -","- Bi3.114 Na0.886 O9.792 V2 -","1","0.5","","Porob, D.G.; Guru Row, T.N.","A novel oxide ion conductor in a doped Bi2 O3 - V2 O5 system: ab initio structure of a new polymorph of Na Bi3 V2 O10 via powder X-ray diffraction","Chemistry of Materials (1,1989-)","2000","12","","3658","3661","","","","","","","","","","","","","","","","","","","","","","has coordinates","141103","2020-10-21","18:00:00",""
"4002266","6.3009","","8.413","","9.937","","107.894","","90.247","","92.782","","500.581","","","","","","","","","","","","","4","P -1","-P 1","2","","Li5.88 Co5.06 (P2 O7)4","","- Co5.06 Li5.88 O28 P8 -","- Co5.122 Li5.878 O28 P8 -","- Co5.122 Li5.878 O28 P8 -","1","0.5","","Sanz, F.; Parada, C.; Ruiz-Valero, C.","Crystal growth, crystal structure, and magnetic properties of a new lithium cobalt diphosphate","Chemistry of Materials (1,1989-)","2000","12","","671","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","141113","2020-10-21","18:00:00",""
"4002267","10.311","","9.749","","10.225","","90","","90","","90","","1027.84","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","K (Al Ge O4) (H2 O)","","- Al Ge H2 K O5 -","- Al Ge K O5 -","- Al8 Ge8 K8 O40 -","8","1","","Tripathi, A.; Parise, J.B.; Kim, S.-J.; Johnson, G.M.; Lee, Y.-J.; Uh, Y.S.","Structural changes and cation site ordering in Na and K forms of aluminogermanates with the zeolite gismondine topology","Chemistry of Materials (1,1989-)","2000","12","","3760","3769","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002268","14.49","","9.94","","23.53","","90","","105.9","","90","","3259.38","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Na3 (Al Ge O4)3 (H2 O)4.75","","- Al3 Ge3 H9.5 Na3 O16.75 -","- Al3 Ge3 Na3 O16.75 -","- Al24 Ge24 Na24 O134 -","8","1","","Tripathi, A.; Parise, J.B.; Uh, Y.S.; Johnson, G.M.; Kim, S.-J.; Lee, Y.-J.","Structural changes and cation site ordering in Na and K forms of aluminogermanates with the zeolite gismondine topology","Chemistry of Materials (1,1989-)","2000","12","","3760","3769","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002269","10.323","","9.754","","10.238","","90","","90.01","","90","","1030.87","","","","","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","K0.5 Na0.5 (Al Ge O4) (H2 O)","","- Al Ge H2 K0.5 Na0.5 O5 -","- Al Ge K0.5 Na0.5 O5 -","- Al8 Ge8 K4 Na4 O40 -","8","1","","Tripathi, A.; Parise, J.B.; Kim, S.-J.; Uh, Y.S.; Johnson, G.M.; Lee, Y.-J.","Structural changes and cation site ordering in Na and K forms of aluminogermanates with the zeolite gismondine topology","Chemistry of Materials (1,1989-)","2000","12","","3760","3769","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002270","5.848","","3.34142","","11.0596","","90","","91.907","","90","","215.992","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr V S4","","- Cr Ni S4 V -","- Cr0.999 Ni1.001 S4 V -","- Cr1.998 Ni2.002 S8 V2 -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002271","5.8447","","3.3272","","11.0749","","90","","91.971","","90","","215.24","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr0.8 V1.2 S4","","- Cr0.8 Ni S4 V1.2 -","- Cr0.801 Ni0.999 S4 V1.2 -","- Cr1.602 Ni1.998 S8 V2.4 -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002272","5.8391","","3.31464","","11.065","","90","","92.123","","90","","214.011","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr0.6 V1.4 S4","","- Cr0.6 Ni S4 V1.4 -","- Cr0.6 Ni S4 V1.4 -","- Cr1.2 Ni2 S8 V2.8 -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002273","5.8376","","3.28741","","11.06386","","90","","92.267","","90","","212.156","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr0.2 V1.8 S4","","- Cr0.2 Ni S4 V1.8 -","- Cr0.201 Ni0.999 S4 V1.8 -","- Cr0.402 Ni1.998 S8 V3.6 -","2","0.25","","Vaqueiro, P.; Powell, A.V.; Bold, M.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002274","5.8411","","3.3969","","11.011","","90","","91.642","","90","","218.387","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.9 V0.1 S4","","- Cr1.9 Ni S4 V0.1 -","- Cr1.899 Ni1.001 S4 V0.1 -","- Cr3.798 Ni2.002 S8 V0.2 -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002275","5.8422","","3.3836","","11.026","","90","","91.654","","90","","217.867","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.7 V0.3 S4","","- Cr1.7 Ni S4 V0.3 -","- Cr1.701 Ni0.999 S4 V0.3 -","- Cr3.402 Ni1.998 S8 V0.6 -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002276","5.8285","","3.3701","","11.004","","90","","91.689","","90","","216.054","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.6 V0.4 S4","","- Cr1.6 Ni S4 V0.4 -","- Cr1.6 Ni S4 V0.4 -","- Cr3.2 Ni2 S8 V0.8 -","2","0.25","","Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002277","5.825","","3.365","","10.999","","90","","91.803","","90","","215.486","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.5 V0.5 S4","","- Cr1.5 Ni S4 V0.5 -","- Cr1.499 Ni1.001 S4 V0.5 -","- Cr2.998 Ni2.002 S8 V -","2","0.25","","Vaqueiro, P.; Bold, M.; Powell, A.V.; Ritter, C.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002278","5.91079","","5.91079","","16.7829","","90","","90","","120","","507.795","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(V0.133 Cr0.189) (V0.203 Cr0.797) S2","","- Cr0.986 S2 V0.336 -","- Cr0.986 S2 V0.336 -","- Cr8.874 S18 V3.024 -","9","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","141159","2020-10-21","18:00:00",""
"4002279","5.908","","5.908","","11.2254","","90","","90","","120","","339.323","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","(V0.187 Cr0.183) (V0.24 Cr0.76) S2","","- Cr0.943 S2 V0.427 -","- Cr0.943333 S2 V0.426667 -","- Cr5.66 S12 V2.56 -","6","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","141160","2020-10-21","18:00:00",""
"4002280","5.9449","","3.3834","","11.2263","","90","","91.573","","90","","225.72","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.239 Cr0.261) (V0.285 Cr0.715) S2","","- Cr0.976 S2 V0.524 -","- Cr0.9765 S2 V0.5235 -","- Cr3.906 S8 V2.094 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002281","5.9461","","3.3773","","11.2353","","90","","91.68","","90","","225.528","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.252 Cr0.267) (V0.326 Cr0.674) S2","","- Cr0.941 S2 V0.578 -","- Cr0.941 S2 V0.578 -","- Cr3.764 S8 V2.312 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002282","5.9536","","3.3942","","11.331","","90","","91.31","","90","","228.914","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.256 Cr0.313) (V0.35 Cr0.65) S2","","- Cr0.963 S2 V0.606 -","- Cr0.963 S2 V0.606 -","- Cr3.852 S8 V2.424 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002283","5.9574","","3.4009","","11.3825","","90","","91.127","","90","","230.571","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.258 Cr0.350) (V0.369 Cr0.631) S2","","- Cr0.981 S2 V0.627 -","- Cr0.981 S2 V0.6275 -","- Cr3.924 S8 V2.51 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002284","5.9562","","3.40467","","11.412","","90","","90.995","","90","","231.388","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.283 Cr0.356) (V0.388 Cr0.612) S2","","- Cr0.968 S2 V0.671 -","- Cr0.968 S2 V0.6715 -","- Cr3.872 S8 V2.686 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002285","5.9511","","3.4163","","11.4716","","90","","90.62","","90","","233.212","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","(V0.305 Cr0.399) (V0.43 Cr0.57) S2","","- Cr0.969 S2 V0.735 -","- Cr0.969 S2 V0.7355 -","- Cr3.876 S8 V2.942 -","4","0.5","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002286","6.85625","","6.85625","","17.2504","","90","","90","","120","","702.268","","","","","","","","","","","","","3","P 31 2 1","P 31 2""","152","","(V0.29 Cr0.42) (V0.465 Cr0.535) S2","","- Cr0.955 S2 V0.755 -","- Cr0.955 S2 V0.755 -","- Cr11.46 S24 V9.06 -","12","2","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","141168","2020-10-21","18:00:00",""
"4002287","3.43854","","3.43854","","5.7966","","90","","90","","120","","59.354","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","V0.812 Cr0.968 S2","","- Cr0.968 S2 V0.812 -","- Cr0.968 S2 V0.812 -","- Cr0.968 S2 V0.812 -","1","0.0416667","","Vaqueiro, P.; Powell, A.V.","Structures and properties of new ordered defect phases in the vanadium chromium sulfide system","Chemistry of Materials (1,1989-)","2000","12","","2705","2714","","","","","","","","","","","","","","","","","","","","","","has coordinates","141169","2020-10-21","18:00:00",""
"4002288","5.8653","","3.3712","","11.061","","90","","91.68","","90","","218.616","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.4 V0.6 S4","","- Cr1.4 Ni S4 V0.6 -","- Cr1.4 Ni S4 V0.6 -","- Cr2.8 Ni2 S8 V1.2 -","2","0.25","","Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002289","5.8517","","3.35413","","11.0542","","90","","91.834","","90","","216.854","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ni Cr1.2 V0.8 S4","","- Cr1.2 Ni S4 V0.8 -","- Cr1.201 Ni0.999 S4 V0.8 -","- Cr2.402 Ni1.998 S8 V1.6 -","2","0.25","","Vaqueiro, P.; Bold, M.; Ritter, C.; Powell, A.V.","Structural, magnetic, and electronic properties of vanadium-substituted nickel chromium sulfide","Chemistry of Materials (1,1989-)","2000","12","","1034","1041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002290","17.22279","","4.2729","","18.4659","","90","","90.72","","90","","1358.82","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Bi6.67 Se13 -","- Ba3 Bi6.6667 Se13 -","- Ba6 Bi13.3334 Se26 -","2","0.5","","Wang, Y.C.; DiSalvo, F.J.","Synthesis and characterization of Ba3 Bi6.67 Se13 and its filled variants Ba3 Bi6 Pb Se13 and Ba3 Bi6 Sn Se13","Chemistry of Materials (1,1989-)","2000","12","","1011","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002291","17.24269","","4.2736","","18.45599","","90","","90.861","","90","","1359.84","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Bi6 Pb Se13 -","- Ba3 Bi6 Pb Se13 -","- Ba6 Bi12 Pb2 Se26 -","2","0.5","","Wang, Y.C.; DiSalvo, F.J.","Synthesis and characterization of Ba3 Bi6.67 Se13 and its filled variants Ba3 Bi6 Pb Se13 and Ba3 Bi6 Sn Se13","Chemistry of Materials (1,1989-)","2000","12","","1011","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4002292","17.24979","","4.2912","","18.459","","90","","90.679","","90","","1366.28","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Ba3 Bi6 Sn Se13","","- Ba3 Bi6 Se13 Sn -","- Ba3 Bi5.99 Se13 Sn1.01 -","- Ba6 Bi11.98 Se26 Sn2.02 -","2","0.5","","Wang, Y.C.; DiSalvo, F.J.","Synthesis and characterization of Ba3 Bi6.67 Se13 and its filled variants Ba3 Bi6 Pb Se13 and Ba3 Bi6 Sn Se13","Chemistry of Materials (1,1989-)","2000","12","","1011","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002293","6.7329","","6.7329","","11.6747","","90","","90","","120","","458.333","","","","","","","","","","","","","3","P -3 1 c","-P 3 2c","163","","Ba2 Cu15.34 As10","","- As10 Ba2 Cu15.34 -","- As10 Ba2 Cu15.342 -","- As10 Ba2 Cu15.342 -","1","0.0833333","","Kim, S.-J.; Kannewurf, C.R.; Ireland, J.; Kanatzidis, M.G.","Ba2 Cu18-x As10: a new mixed-valent ternary copper-rich arsenide with metallic properties","Chemistry of Materials (1,1989-)","2000","12","","3133","3138","","","","","","","","","","","","","","","","","","","","","","has coordinates","141190","2020-10-21","18:00:00",""
"4002294","3.8412","","3.8412","","28.567","","90","","90","","90","","421.501","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Na2 La2 ((Ti2.75 Ru0.25) O10)","","- La2 Na2 O10 Ru0.25 Ti2.75 -","- La2 Na2 O10 Ru0.248 Ti2.749 -","- La4 Na4 O20 Ru0.496 Ti5.498 -","2","0.0625","","Lalena, J.N.; Falster, A.U.; Simmons, W.B.jr.; Carpenter, E.E.; Wiggins, J.; Wiley, J.B.; Hariharan, S.","Synthesis and characterization of new mixed-metal triple-layered perovskites, Na2 La2 Ti3-x Rux O10 (x<= 1.0)","Chemistry of Materials (1,1989-)","2000","12","","2418","2423","","","","","","","","","","","","","","","","","","","","","","has coordinates","141199","2020-10-21","18:00:00",""
"4002295","3.8464","","3.8464","","28.532","","90","","90","","90","","422.125","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Na2 La2 ((Ti2.5 Ru0.5) O10)","","- La2 Na2 O10 Ru0.5 Ti2.5 -","- La2 Na2 O10 Ru0.498 Ti2.499 -","- La4 Na4 O20 Ru0.996 Ti4.998 -","2","0.0625","","Lalena, J.N.; Carpenter, E.E.; Simmons, W.B.jr.; Falster, A.U.; Hariharan, S.; Wiley, J.B.; Wiggins, J.","Synthesis and characterization of new mixed-metal triple-layered perovskites, Na2 La2 Ti3-x Rux O10 (x<=1.0)","Chemistry of Materials (1,1989-)","2000","12","","2418","2423","","","","","","","","","","","","","","","","","","","","","","has coordinates","141200","2020-10-21","18:00:00",""
"4002296","3.856","","3.856","","28.41","","90","","90","","90","","422.421","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Na2 La2 ((Ti2.25 Ru0.75) O10)","","- La2 Na2 O10 Ru0.75 Ti2.25 -","- La2 Na2 O10 Ru0.75 Ti2.249 -","- La4 Na4 O20 Ru1.5 Ti4.498 -","2","0.0625","","Lalena, J.N.; Falster, A.U.; Wiley, J.B.; Simmons, W.B.jr.; Wiggins, J.; Hariharan, S.; Carpenter, E.E.","Synthesis and characterization of new mixed-metal triple-layered perovskites, Na2 La2 Ti3-x Rux O10 (x<=1.0)","Chemistry of Materials (1,1989-)","2000","12","","2418","2423","","","","","","","","","","","","","","","","","","","","","","has coordinates","141201","2020-10-21","18:00:00",""
"4002297","3.8606","","3.8606","","28.377","","90","","90","","90","","422.937","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Na2 La2 (Ti2 Ru O10)","","- La2 Na2 O10 Ru Ti2 -","- La2 Na2 O10 Ru0.999 Ti1.998 -","- La4 Na4 O20 Ru1.998 Ti3.996 -","2","0.0625","","Lalena, J.N.; Simmons, W.B.jr.; Falster, A.U.; Carpenter, E.E.; Wiggins, J.; Wiley, J.B.; Hariharan, S.","Synthesis and characterization of new mixed-metal triple-layered perovskites, Na2 La2 Ti3-x Rux O10 (x<=1.0)","Chemistry of Materials (1,1989-)","2000","12","","2418","2423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002298","9.4583","","9.4583","","15.707","","90","","90","","120","","1216.89","","","","","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","(Fe (H2 O)2) (B P2 O8) (H2 O)","","- B Fe H6 O11 P2 -","- B Fe O11 P2 -","- B6 Fe6 O66 P12 -","6","0.5","","Yilmaz, A.; Bu Xianhui; Kizilyalli, M.; Stucky, G.D.","Fe (H2 O)2 B P2 O8 . (H2 O), a first zeotype ferriborophosphate with chiral tetrahedral framework topology","Chemistry of Materials (1,1989-)","2000","12","","3243","3245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002299","9.496","","9.496","","15.623","","90","","90","","120","","1220.05","","","","","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","(H0.5 Co1.25 (H2 O)1.5) (B P2 O8) (H2 O)","","- B Co1.25 H5.5 O10.5 P2 -","- B Co1.25 O10.5 P2 -","- B6 Co7.5 O63 P12 -","6","0.5","","Yilmaz, A.; Kizilyalli, M.; Bu Xianhui; Stucky, G.D.","Fe (H2 O)2 B P2 O8 . (H2 O), a first zeotype ferriborophosphate with chiral tetrahedral framework topology","Chemistry of Materials (1,1989-)","2000","12","","3243","3245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002300","3.90262","","3.90262","","14.3089","","90","","90","","90","","217.931","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr2 (Co O3 Cl)","","- Cl Co O3 Sr2 -","- Cl Co O3 Sr2 -","- Cl2 Co2 O6 Sr4 -","2","0.125","","Loureiro, S.M.; Felser, C.; Huang, Q.; Cava, R.J.","Refinement of the crystal structures of strontium cobalt oxychlorides by neutron powder diffraction","Chemistry of Materials (1,1989-)","2000","12","","3181","3185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002301","3.9142","","3.9142","","24.0098","","90","","90","","90","","367.853","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr3 (Co2 O5 Cl2)","","- Cl2 Co2 O5 Sr3 -","- Cl2 Co2 O5 Sr3 -","- Cl4 Co4 O10 Sr6 -","2","0.0625","","Loureiro, S.M.; Huang, Q.; Felser, C.; Cava, R.J.","Refinement of the crystal structures of strontium cobalt oxychlorides by neutron powder diffraction","Chemistry of Materials (1,1989-)","2000","12","","3181","3185","","","","","","","","","","","","","","","","","","","","","","has coordinates","141221","2020-10-21","18:00:00",""
"4002302","3.9012","","3.9012","","31.688","","90","","90","","90","","482.271","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Sr4 (Co3 O7.5 Cl2)","","- Cl2 Co3 O7.5 Sr4 -","- Cl2 Co3 O7.5 Sr4 -","- Cl4 Co6 O15 Sr8 -","2","0.0625","","Loureiro, S.M.; Cava, R.J.; Felser, C.; Huang, Q.","Refinement of the crystal structures of strontium cobalt oxychlorides by neutron powder diffraction","Chemistry of Materials (1,1989-)","2000","12","","3181","3185","","","","","","","","","","","","","","","","","","","","","","has coordinates","141222","2020-10-21","18:00:00",""
"4031866","9.38","0.004","9.756","0.004","10.518","0.005","94.969","0.006","90.378","0.006","103.743","0.006","931.1","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H19 Br N2 O6 -","- C17 H19 Br N2 O6 -","- C34 H38 Br2 N4 O12 -","2","2","","Zhang, Ming-Liang; Yue, Deng-Feng; Wang, Zhen-Hua; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Organocatalytic asymmetric Henry reaction of 1H-pyrrole-2,3-diones with bifunctional amine-thiourea catalysts bearing multiple hydrogen-bond donors.","Beilstein journal of organic chemistry","2016","12","","295","300","10.3762/bjoc.12.31","","","0.71073","MoKα","","0.1035","0.0742","","","0.187","0.2053","","","","","","1.004","","","","has coordinates","181462","2020-10-21","18:00:00",""
"4031973","8.6709","0.0009","12.9435","0.0016","17.587","0.002","90","","90","","90","","1973.8","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O3 -","- C25 H25 O3 -","- C100 H100 O12 -","4","1","","Cinar, M. Emin; Engelen, Bernward; Panthöfer, Martin; Deiseroth, Hans-Jörg; Schlirf, Jens; Schmittel, Michael","Scope and mechanism of the highly stereoselective metal-mediated domino aldol reactions of enolates with aldehydes.","Beilstein journal of organic chemistry","2016","12","","813","824","10.3762/bjoc.12.80","","","0.71069","MoKα","","0.0537","0.047","","","0.119","0.1243","","","","","","1.048","","","","has coordinates","185004","2020-10-21","18:00:00",""
"4031974","10.032","0.002","18.5","0.004","9.118","0.002","90","","109.47","0.03","90","","1595.5","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Cinar, M. Emin; Engelen, Bernward; Panthöfer, Martin; Deiseroth, Hans-Jörg; Schlirf, Jens; Schmittel, Michael","Scope and mechanism of the highly stereoselective metal-mediated domino aldol reactions of enolates with aldehydes.","Beilstein journal of organic chemistry","2016","12","","813","824","10.3762/bjoc.12.80","","","0.71069","MoKα","","0.0709","0.0456","","","0.1225","0.1341","","","","","","1.029","","","","has coordinates","185004","2020-10-21","18:00:00",""
"4031975","11.63996","0.00006","22.90211","0.00013","14.66629","0.00006","90","","92.3283","0.0004","90","","3906.51","0.03","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Cl8 N2 P Pd -","- C34 H39 Cl8 N2 P Pd -","- C136 H156 Cl32 N8 P4 Pd4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","1.54184","CuKα","","0.0364","0.0351","","","0.085","0.0859","","","","","","1.058","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031976","11.291","0.006","13.841","0.007","21.603","0.01","82.724","0.008","80.839","0.013","87.563","0.012","3305","3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C66.5 H72 B2 Cl4 F8 N4 P2 Pd2 -","- C66.5 H72 B2 Cl4 F8 N4 P2 Pd2 -","- C133 H144 B4 Cl8 F16 N8 P4 Pd4 -","2","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0683","0.0465","","","0.1082","0.1188","","","","","","1.024","","","","has coordinates,has disorder","185003","2020-10-21","18:00:00",""
"4031977","12.435","0.005","15.735","0.007","19.553","0.008","89.234","0.011","89.261","0.014","89.37","0.009","3825","3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C40 H47 B Cl2 F4 N2 P Rh -","- C40 H47 B Cl2 F4 N2 P Rh -","- C160 H188 B4 Cl8 F16 N8 P4 Rh4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0617","0.0399","","","0.0891","0.099","","","","","","1.021","","","","has coordinates,has disorder","185003","2020-10-21","18:00:00",""
"4031978","10.903","0.004","17.768","0.007","24.913","0.009","107.751","0.013","96.045","0.009","96.26","0.013","4520","3","100","2","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C49 H62 B Cl F4 N2 P Rh -","- C49 H62 B Cl F4 N2 P Rh -","- C196 H248 B4 Cl4 F16 N8 P4 Rh4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0634","0.0427","","","0.103","0.1155","","","","","","1.029","","","","has coordinates,has disorder","185003","2020-10-21","18:00:00",""
"4031979","12.47669","0.00019","15.7562","0.0002","19.5579","0.0003","89.2424","0.0012","89.4178","0.0012","89.6008","0.0012","3844.17","0.1","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C40 H47 B Cl2 F4 Ir N2 P -","- C40 H47 B Cl2 F4 Ir N2 P -","- C160 H188 B4 Cl8 F16 Ir4 N8 P4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.062","0.0511","","","0.1092","0.1132","","","","","","1.196","","","","has coordinates,has disorder","185003","2020-10-21","18:00:00",""
"4031980","10.95376","0.00006","17.76136","0.00011","24.90835","0.00015","107.762","0.0005","95.9466","0.0005","96.1981","0.0005","4540.08","0.05","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C49 H62 B Cl F4 Ir N2 P -","- C49 H62 B Cl F4 Ir N2 P -","- C196 H248 B4 Cl4 F16 Ir4 N8 P4 -","4","2","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0549","0.046","","","0.0716","0.0739","","","","","","1.225","","","","has coordinates,has disorder","185003","2020-10-21","18:00:00",""
"4031981","11.539","0.004","11.74","0.004","16.334","0.006","101.867","0.01","93.026","0.007","94.659","0.006","2152.8","1.3","100","2","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C42.5 H52 B Cl3 F4 I Ir N2 P -","- C42 H50 B Cl2 F4 I Ir N2 P -","- C84 H100 B2 Cl4 F8 I2 Ir2 N4 P2 -","2","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.02","0.0186","","","0.0463","0.047","","","","","","1.052","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031982","17.413","0.009","17.673","0.008","19.974","0.01","90","","90","","90","","6147","5","100","2","100","1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C30 H35 F3 N O3 P Pd S -","- C30 H35 F3 N O3 P Pd S -","- C240 H280 F24 N8 O24 P8 Pd8 S8 -","8","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0569","0.0393","","","0.0765","0.0929","","","","","","1.196","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031983","12.941","0.005","12.948","0.006","19.111","0.008","90","","106.643","0.01","90","","3068","2","100","2","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 B F4 N P Rh -","- C33 H40 B F4 N P Rh -","- C132 H160 B4 F16 N4 P4 Rh4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0288","0.0245","","","0.0596","0.0629","","","","","","1.047","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031984","13.001","0.006","18.967","0.008","13.378","0.005","90","","94.921","0.009","90","","3287","2","100","2","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 F3 Ir N O3 P S -","- C34 H40 F3 Ir N O3 P S -","- C136 H160 F12 Ir4 N4 O12 P4 S4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0223","0.0181","","","0.0397","0.0412","","","","","","1.047","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031985","17.335","0.007","9.113","0.004","25.21","0.011","90","","101.562","0.009","90","","3902","3","100","2","100","1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 Cl3 F3 I Ir N O3 P S -","- C37 H44 Cl3 F3 I Ir N O3 P S -","- C148 H176 Cl12 F12 I4 Ir4 N4 O12 P4 S4 -","4","1","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0321","0.0252","","","0.059","0.062","","","","","","1.026","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031986","9.78588","0.00012","14.13707","0.00016","20.6977","0.0003","105.617","0.0011","96.468","0.0011","104.361","0.001","2621.66","0.06","120","1","120","1","","","","","","","","8","P 1","P 1","1","","","","- C37 H40 B Cl2 F4 N P Rh -","- C36.6667 H39.3333 B Cl1.33333 F4 N P Rh -","- C110 H118 B3 Cl4 F12 N3 P3 Rh3 -","3","3","","Vasilenko, Vladislav; Roth, Torsten; Blasius, Clemens K.; Intorp, Sebastian N.; Wadepohl, Hubert; Gade, Lutz H.","A modular approach to neutral P,N-ligands: synthesis and coordination chemistry.","Beilstein journal of organic chemistry","2016","12","","846","853","10.3762/bjoc.12.83","","x-ray","0.71073","MoKα","","0.0542","0.0447","","","0.09","0.0959","","","","","","1.028","","","","has coordinates","185003","2020-10-21","18:00:00",""
"4031990","25.328","0.005","6.6951","0.0013","10.795","0.002","90","","90","","90","","1830.5","0.6","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H19 B F4 N4 O2 Pd -","- C14 H19 B F4 N4 O2 Pd -","- C56 H76 B4 F16 N16 O8 Pd4 -","4","0.5","","Nishikata, Takashi; Abela, Alexander R.; Huang, Shenlin; Lipshutz, Bruce H.","Cationic Pd(II)-catalyzed C-H activation/cross-coupling reactions at room temperature: synthetic and mechanistic studies.","Beilstein journal of organic chemistry","2016","12","","1040","1064","10.3762/bjoc.12.99","","","0.71073","MoKα","","0.0455","0.0392","","","0.0989","0.101","","","","","","1.345","","","","has coordinates","185005","2020-10-21","18:00:00",""
"4031991","5.8864","0.0003","9.254","0.0006","12.6617","0.0007","104.549","0.002","95.9357","0.0014","105.233","0.0015","633.46","0.06","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H41 N O4 S -","- C26 H41 N O4 S -","- C26 H41 N O4 S -","1","1","","Trost, Barry M.; Ryan, Michael C.; Rao, Meera","Chiral cyclopentadienylruthenium sulfoxide catalysts for asymmetric redox bicycloisomerization.","Beilstein journal of organic chemistry","2016","12","","1136","1152","10.3762/bjoc.12.110","","","1.54184","CuKα","","0.025","0.0249","","","0.0627","0.0628","","","","","","1.079","","","","has coordinates","186266","2020-10-21","18:00:00",""
"4032037","8.8223","0.0005","9.7894","0.0005","17.1881","0.0009","94.4785","0.0019","101.255","0.0019","116.252","0.0017","1282.73","0.12","120","","120","","","","","","","","","6","P -1","-P 1","2","","4-tert-butyl 2-ethyl 5-(4-bromo-3-iodophenyl)-1-ethyl-4-methylpyrrolidine-2,4-dicarboxylate","","- C24 H33 Br I N O5 -","- C24 H33 Br I N O5 -","- C48 H66 Br2 I2 N2 O10 -","2","1","","Mallia, Carl J.; Walter, Gary C.; Baxendale, Ian R.","Flow carbonylation of sterically hindered ortho-substituted iodoarenes.","Beilstein journal of organic chemistry","2016","12","","1503","1511","10.3762/bjoc.12.147","","x-ray","0.71073","MoKα","","0.0398","0.0274","","","0.0557","0.0591","","","","","","1.032","","","","has coordinates","186264","2020-10-21","18:00:00",""
"4032038","7.991","0.0006","19.372","0.0013","11.091","0.0009","90","","127.399","0.008","90","","1364","0.2","198","2","198","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","DM-449","","","- C12 H17 Cl N4 Pd -","- C12 H17 Cl N4 Pd -","- C48 H68 Cl4 N16 Pd4 -","4","1","","Meyer, Dirk; Strassner, Thomas","Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands.","Beilstein journal of organic chemistry","2016","12","","1557","1565","10.3762/bjoc.12.150","","","0.71073","MoKα","","0.0308","0.0203","","","0.0513","0.0542","","","","","","1.146","","","","has coordinates","186265","2020-10-21","18:00:00",""
"4032039","11.055","0.0008","8.05","0.0005","17.92","0.001","90","","102.069","0.006","90","","1559.5","0.18","198","2","198","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br Cl N4 Pd -","- C14 H12 Br Cl N4 Pd -","- C56 H48 Br4 Cl4 N16 Pd4 -","4","1","","Meyer, Dirk; Strassner, Thomas","Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands.","Beilstein journal of organic chemistry","2016","12","","1557","1565","10.3762/bjoc.12.150","","","0.71073","MoKα","","0.0574","0.0311","","","0.0605","0.0675","","","","","","1.098","","","","has coordinates","186265","2020-10-21","18:00:00",""
"4032040","9.29","0.0006","20.254","0.002","15.287","0.0006","90","","127.01","0.004","90","","2296.9","0.3","198","2","198","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 F3 N4 O2 Pd -","- C22 H25 F3 N4 O2 Pd -","- C88 H100 F12 N16 O8 Pd4 -","4","1","","Meyer, Dirk; Strassner, Thomas","Methylpalladium complexes with pyrimidine-functionalized N-heterocyclic carbene ligands.","Beilstein journal of organic chemistry","2016","12","","1557","1565","10.3762/bjoc.12.150","","","0.71073","MoKα","","0.0344","0.0263","","","0.0769","0.0795","","","","","","1.508","","","","has coordinates","186265","2020-10-21","18:00:00",""
"4032041","11.3","0.001","14.4355","0.0013","26.239","0.002","90","","94.704","0.002","90","","4265.7","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H71 B P2 Pd -","- C48 H71 B P2 Pd -","- C192 H284 B4 P8 Pd4 -","4","1","","Steinhoff, Patrick; Tauchert, Michael E.","A T-shape diphosphinoborane palladium(0) complex.","Beilstein journal of organic chemistry","2016","12","","1573","1576","10.3762/bjoc.12.152","","","0.71073","MoKα","","0.0408","0.0323","","","0.0742","0.0784","","","","","","1.042","","","","has coordinates","186263","2020-10-21","18:00:00",""
"4032042","6.011","0.0004","9.5419","0.0006","31.23","0.003","90","","90","","90","","1791.2","0.2","200","2","200","2","","","","","","","","3","P 21 c n","P -2n 2a","33","","","","- C25 H17 N3 -","- C25 H17 N3 -","- C100 H68 N12 -","4","1","","Ion, Adrian E.; Cristian, Liliana; Voicescu, Mariana; Bangesh, Masroor; Madalan, Augustin M.; Bala, Daniela; Mihailciuc, Constantin; Nica, Simona","Synthesis and properties of fluorescent 4'-azulenyl-functionalized 2,2':6',2″-terpyridines.","Beilstein journal of organic chemistry","2016","12","","1812","1825","10.3762/bjoc.12.171","","","0.71073","MoKα","","0.0859","0.0441","","","0.1008","0.1398","","","","","","1.077","","","","has coordinates","188920","2020-10-21","18:00:00",""
"4032043","15.2019","0.0012","9.6219","0.0008","17.1451","0.0014","90","","101.007","0.001","90","","2461.7","0.3","185","2","185","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 N3 O3 -","- C28 H31 N3 O3 -","- C112 H124 N12 O12 -","4","2","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.1706","0.0943","","","0.0972","0.1135","","","","","","1.133","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4032044","6.2818","0.0011","18.682","0.005","33.725","0.005","90","","90","","90","","3957.9","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Cl N O3 -","- C25 H18 Cl N O3 -","- C200 H144 Cl8 N8 O24 -","8","2","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.2976","0.153","","","0.2038","0.2666","","","","","","0.978","","","","has coordinates","188919","2020-10-21","18:00:00",""
"4032045","5.7034","0.0005","11.3752","0.0011","29.276","0.002","90","","90","","90","","1899.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 Br N O3 -","- C24 H16 Br N O3 -","- C96 H64 Br4 N4 O12 -","4","1","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.1305","0.0547","","","0.0886","0.1099","","","","","","0.811","","","","has coordinates","188919","2020-10-21","18:00:00",""
"4032046","8.483","0.002","33.621","0.009","14.525","0.004","90","","98.986","0.003","90","","4091.8","1.8","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O2 -","- C19 H16 O2 -","- C228 H192 O24 -","12","3","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.7107","MoKα","","0.0856","0.065","","","0.1405","0.1544","","","","","","1.092","","","","has coordinates","188921","2020-10-21","18:00:00",""
"4032047","8.108","0.0016","24.504","0.005","9.769","0.002","90","","90","","90","","1940.9","0.7","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H26 O2 -","- C27 H26 O2 -","- C108 H104 O8 -","4","1","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.71073","MoKα","","0.0528","0.0414","","","0.0883","0.0931","","","","","","0.991","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4032048","14.63","0.007","11.834","0.006","10.513","0.005","90","","90","","90","","1820.1","1.5","150","","150","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","0.5","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.71075","MoKα","","0.0499","0.0429","","","0.0959","0.1003","","","","","","1.097","","","","has coordinates","188921","2020-10-21","18:00:00",""
"4032049","7.524","0.003","8.498","0.003","12.116","0.005","88.457","0.013","79.09","0.001","79.868","0.012","748.8","0.5","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C42 H36 O4 -","2","1","","Kotha, Sambasivarao; Gunta, Rama","Bridgehead vicinal diallylation of norbornene derivatives and extension to propellane derivatives via ring-closing metathesis.","Beilstein journal of organic chemistry","2016","12","","1877","1883","10.3762/bjoc.12.177","","","0.7107","MoKα","","0.068","0.0429","","","0.0905","0.1026","","","","","","0.84","","","","has coordinates","188921","2020-10-21","18:00:00",""
"4032050","21.926","0.002","17.636","0.002","18.914","0.002","90","","93.67","0.003","90","","7298.8","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C97 H58 Cl2 F4 N6 Zn -","- C97 H58 Cl2 F4 N6 Zn -","- C388 H232 Cl8 F16 N24 Zn4 -","4","0.5","","Etheridge, Forrest S.; Fernando, Roshan J.; Pejić, Sandra; Zeller, Matthias; Sauvé, Geneviève","Synthesis and characterization of fluorinated azadipyrromethene complexes as acceptors for organic photovoltaics.","Beilstein journal of organic chemistry","2016","12","","1925","1938","10.3762/bjoc.12.182","","","1.54178","CuKα","","0.0487","0.0466","","","0.1215","0.1251","","","","","","1.131","","","","has coordinates,has disorder","188917","2020-10-21","18:00:00",""
"4032055","8.9878","0.001","14.6983","0.0018","10.8669","0.0013","90","","90.983","0.003","90","","1435.4","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H33 Cl N2 O5 -","- C31 H33 Cl N2 O5 -","- C62 H66 Cl2 N4 O10 -","2","1","","Torii, Masahiro; Kato, Kohsuke; Uraguchi, Daisuke; Ooi, Takashi","Chiral ammonium betaine-catalyzed asymmetric Mannich-type reaction of oxindoles.","Beilstein journal of organic chemistry","2016","12","","2099","2103","10.3762/bjoc.12.199","","","0.71075","MoKα","","0.0244","0.0241","","","0.0626","0.0628","","","","","","1.08","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032060","17.5326","0.0019","20.845","0.002","22.514","0.002","90","","90","","90","","8228.1","1.4","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H39 Br2 N7 O4 S2 -","- C38 H33 Br2 N7 O3 S -","- C304 H264 Br16 N56 O24 S8 -","8","1","","Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N.","An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy","Beilstein Journal of Organic Chemistry","2016","12","","2240","","10.3762/bjoc.12.216","","","0.71073","MoKα","","0.0941","0.0466","","","0.1086","0.129","","","","","","1.012","","","","has coordinates","187522","2020-10-21","18:00:00",""
"4032061","10.2603","0.0005","11.415","0.0006","36.6392","0.0019","90","","94.683","0.001","90","","4276.9","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H45 Br N10 O3 S -","- C45 H45 Br N10 O3 S -","- C180 H180 Br4 N40 O12 S4 -","4","1","","Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N.","An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy","Beilstein Journal of Organic Chemistry","2016","12","","2240","","10.3762/bjoc.12.216","","","0.71073","MoKα","","0.0641","0.0564","","","0.1232","0.1261","","","","","","1.161","","","","has coordinates","187523","2020-10-21","18:00:00",""
"4032062","15.7105","0.0006","13.4273","0.0005","15.0819","0.0005","90","","112.995","0.001","90","","2928.71","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N8 O5 S -","- C30 H32 N8 O5 S -","- C120 H128 N32 O20 S4 -","4","1","","Izmest’ev, Alexei N; Gazieva, Galina A.; Sigay, Natalya V.; Serkov, Sergei A.; Karnoukhova, Valentina A.; Kachala, Vadim V.; Shashkov, Alexander S.; Zanin, Igor E.; Kravchenko, Angelina N.; Makhova, Nina N.","An effective one-pot access to polynuclear dispiroheterocyclic structures comprising pyrrolidinyloxindole and imidazothiazolotriazine moieties via a 1,3-dipolar cycloaddition strategy","Beilstein Journal of Organic Chemistry","2016","12","","2240","","10.3762/bjoc.12.216","","","0.71073","MoKα","","0.0546","0.0394","","","0.0931","0.1022","","","","","","1.018","","","","has coordinates","187524","2020-10-21","18:00:00",""
"4032063","8.9292","0.0003","12.2608","0.0004","15.9631","0.0006","90","","101.183","0.003","90","","1714.44","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides","Beilstein Journal of Organic Chemistry","2016","12","","2390","","10.3762/bjoc.12.233","","","0.7107","MoKα","","0.0589","0.0453","","","0.1209","0.1333","","","","","","1.008","","","","has coordinates","188485","2020-10-21","18:00:00",""
"4032064","6.52","0.0009","10.4602","0.0005","17.7675","0.0008","90","","90","","90","","1211.75","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","","Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides","Beilstein Journal of Organic Chemistry","2016","12","","2390","","10.3762/bjoc.12.233","","","0.7107","MoKα","","0.0564","0.044","","","0.1098","0.1188","","","","","","1.003","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032065","8.9596","0.0004","12.5516","0.0003","15.7754","0.0004","90","","100.144","0.003","90","","1746.33","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O4 -","- C21 H16 N2 O4 -","- C84 H64 N8 O16 -","4","1","","Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides","Beilstein Journal of Organic Chemistry","2016","12","","2390","","10.3762/bjoc.12.233","","","0.7107","MoKα","","0.0582","0.0438","","","0.1265","0.1379","","","","","","1.009","","","","has coordinates","188487","2020-10-21","18:00:00",""
"4032066","9.7218","0.0003","14.1376","0.0002","10.2523","0.0002","90","","115.65","0.003","90","","1270.25","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,4,8,11-tetra(prop-2-yn-1-yl)-1,4,8,11-tetraazacyclotetradecane-1,8-diium perchlorate","","- C22 H34 Cl2 N4 O8 -","- C22 H34 Cl2 N4 O8 -","- C44 H68 Cl4 N8 O16 -","2","0.5","","Counsell, Andrew J.; Jones, Angus T.; Todd, Matthew H.; Rutledge, Peter J.","A direct method for the N-tetraalkylation of azamacrocycles","Beilstein Journal of Organic Chemistry","2016","12","","2457","","10.3762/bjoc.12.239","","","1.54178","CuKα","","0.041","0.0343","","","0.0869","0.0909","","","","","","1.058","","","","has coordinates","188573","2020-10-21","18:00:00",""
"4032067","14.325","0.002","12.234","0.002","29.447","0.005","90","","102.398","0.004","90","","5040.3","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18.5 H37 N7 O7.5 -","- C18.5 H37 N7 O7.5 -","- C148 H296 N56 O60 -","8","2","","Semakin, Artem N.; Kokuev, Aleksandr O.; Nelyubina, Yulia V.; Sukhorukov, Alexey Yu; Zhmurov, Petr A.; Ioffe, Sema L.; Tartakovsky, Vladimir A.","Construction of bis-, tris- and tetrahydrazones by addition of azoalkenes to amines and ammonia","Beilstein Journal of Organic Chemistry","2016","12","","2471","","10.3762/bjoc.12.241","","","0.71073","MoKα","","0.2222","0.0897","","","0.2017","0.2715","","","","","","1.055","","","","has coordinates,has disorder","188616","2020-10-21","18:00:00",""
"4032068","16.7086","0.0005","21.6694","0.0008","8.223","0.0003","90","","90","","90","","2977.26","0.18","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C46 H90 N2 O38 -","- C46 H42 N2 O38 -","- C92 H84 N4 O76 -","2","0.5","","Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira","Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent","Beilstein Journal of Organic Chemistry","2016","12","","2495","","10.3762/bjoc.12.244","","","0.71075","MoKα","","","0.0761","","","","0.23","","","","","","1.099","","","","has coordinates","188628","2020-10-21","18:00:00",""
"4032069","15.3495","0.0004","15.391","0.0005","17.9894","0.0006","113.338","0.0009","99.5367","0.0011","102.721","0.001","3651.5","0.2","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C106.5 H214.5 N4.5 O91.5 -","- C106.5 H137.5 N4.5 O91.5 -","- C106.5 H137.5 N4.5 O91.5 -","1","1","","Koyanagi, Kohei; Takashima, Yoshinori; Nakamura, Takashi; Yamaguchi, Hiroyasu; Harada, Akira","Radical polymerization by a supramolecular catalyst: cyclodextrin with a RAFT reagent","Beilstein Journal of Organic Chemistry","2016","12","","2495","","10.3762/bjoc.12.244","","","0.71075","MoKα","","","0.098","","","","0.2779","","","","","","1.046","","","","has coordinates","188629","2020-10-21","18:00:00",""
"4032070","11.7917","0.0005","7.5448","0.0003","17.661","0.0008","90","","101.754","0.002","90","","1538.28","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","6-ethyl-2-(3-phenylsydnon-4-yl)indolizine","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Albota, Florin; Caira, Mino R.; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Sydnone C-4 heteroarylation with an indolizine ring via Chichibabin indolizine synthesis","Beilstein Journal of Organic Chemistry","2016","12","","2503","","10.3762/bjoc.12.245","","","0.71073","MoKα","","0.0685","0.0421","","","0.0995","0.112","","","","","","1.016","","","","has coordinates","188651","2020-10-21","18:00:00",""
"4032071","8.9685","0.0005","10.6487","0.0007","11.0785","0.0007","93.48","0.001","95.886","0.001","109.306","0.001","988.21","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","none","Ethyl 8-ethyl-5-methyl-3-[(3-phenylsydnon-4-yl)-oxomethyl]-indolizine-1-carboxylate","","- C23 H21 N3 O5 -","- C23 H21 N3 O5 -","- C46 H42 N6 O10 -","2","1","","Albota, Florin; Caira, Mino R.; Draghici, Constantin; Dumitrascu, Florea; Dumitrescu, Denisa E.","Sydnone C-4 heteroarylation with an indolizine ring via Chichibabin indolizine synthesis","Beilstein Journal of Organic Chemistry","2016","12","","2503","","10.3762/bjoc.12.245","","","0.71073","MoKα","","0.0499","0.039","","","0.0948","0.1014","","","","","","1.045","","","","has coordinates","188652","2020-10-21","18:00:00",""
"4032072","11.0577","0.0009","12.8224","0.001","11.7987","0.001","90","","110.529","0.003","90","","1566.7","0.2","303.4","","303.4","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","","Jung, Youngeun; Singh, Dileep Kumar; Kim, Ikyon","Symmetry-based approach to oligostilbenoids: Rapid entry to viniferifuran, shoreaphenol, malibatol A, and diptoindonesin G","Beilstein Journal of Organic Chemistry","2016","12","","2689","","10.3762/bjoc.12.266","","","0.71073","MoKα","","0.1362","0.0651","","","0.1454","0.1766","","","","","","1.032","","","","has coordinates,has disorder","189079","2020-10-21","18:00:00",""
"4032074","5.6166","0.0002","13.392","0.0005","31.5475","0.0011","90","","90","","90","","2372.92","0.15","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O3 -","- C27 H34 N2 O3 -","- C108 H136 N8 O12 -","4","1","","Weber, Carina; Pusch, Stefan; Schollmeyer, Dieter; Münster-Müller, Sascha; Pütz, Michael; Opatz, Till","Characterization of the synthetic cannabinoid MDMB-CHMCZCA","Beilstein Journal of Organic Chemistry","2016","12","","2808","","10.3762/bjoc.12.279","","","1.54178","CuKα","","0.0923","0.0657","","","0.165","0.2109","","","","","","1.121","","","","has coordinates,has disorder","189317","2020-10-21","18:00:00",""
"4033352","10.5231","0.0009","12.4625","0.0011","9.6181","0.0008","90","","107.523","0.002","90","","1202.83","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Iodo-4,4,8-trimethyl-1,2,3,4-tetrahydroquinolin-2-one","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.057","0.0532","","","0.1382","0.1426","","","","","","1.04","","","","has coordinates","205249","2020-10-21","18:00:00",""
"4033353","18.006","0.0008","9.8997","0.0004","13.7872","0.0006","90","","107.361","0.002","90","","2345.66","0.18","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Iodo-4,4,8-trimethyl-1,2,3,4-tetrahydroquinoline","","- C12 H16 I N -","- C12 H16 I N -","- C96 H128 I8 N8 -","8","2","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0374","0.0279","","","0.059","0.0632","","","","","","1.082","","","","has coordinates","205250","2020-10-21","18:00:00",""
"4033354","8.358","0.0008","15.7426","0.0015","11.7029","0.0011","90","","93.446","0.002","90","","1537","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Iodo-4,4,8-trimethyl-2-(propan-2-yloxy)-3,4-dihydroquinoline","","- C15 H20 I N O -","- C15 H20 I N O -","- C60 H80 I4 N4 O4 -","4","1","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0664","0.0591","","","0.1448","0.1508","","","","","","1.05","","","","has coordinates","205251","2020-10-21","18:00:00",""
"4033355","12.0435","0.0006","11.5154","0.0006","28.6939","0.0014","90","","96.039","0.002","90","","3957.4","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-Dimethyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinoline","","- C20 H32 B N O2 -","- C20 H32 B N O2 -","- C160 H256 B8 N8 O16 -","8","2","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0919","0.06","","","0.1337","0.1484","","","","","","1.039","","","","has coordinates,has disorder","205252","2020-10-21","18:00:00",""
"4033356","12.2051","0.0005","11.3054","0.0005","28.6657","0.0012","90","","95.011","0.002","90","","3940.3","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4-dimethyl-1-(propan-2-yl)-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dihydroquinoline","","- C20 H30 B N O2 -","- C20 H30 B N O2 -","- C160 H240 B8 N8 O16 -","8","2","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.089","0.0547","","","0.125","0.1412","","","","","","1.034","","","","has coordinates","205253","2020-10-21","18:00:00",""
"4033357","18.723","0.0004","8.16224","0.0001","17.8772","0.0004","90","","126.024","0.003","90","","2209.58","0.11","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-Iodo-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-2-one","","- C11 H12 I N O -","- C11 H12 I N O -","- C88 H96 I8 N8 O8 -","8","1","","David R Chisholm; Garr-Layy Zhou; Ehmke Pohl; Roy Valentine; Andrew Whiting","Practical synthetic strategies towards lipophilic 6-iodotetrahydroquinolines and -dihydroquinolines","Beilstein Journal of Organic Chemistry","2016","12","","1851","1862","10.3762/bjoc.12.174","","x-ray","0.71073","MoKα","","0.0233","0.019","","","0.047","0.0486","","","","","","1.088","","","","has coordinates","205254","2020-10-21","18:00:00",""
"4343644","10.739","","10.45","","15.013","","90","","116.633","","90","","1506.03","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Li Co (N H3)6 (Np2 O8) (O H)2 (H2 O)2","","- Co H24 Li N6 Np2 O12 -","- Co Li N6 Np2 O12 -","- Co4 Li4 N24 Np8 O48 -","4","0.5","","Burns, J.H.; Baldwin, W.H.; Stokely, J.R.","Studies with heptavalent neptunium. Identification and crystal structure analysis of Li Co (N H3)6 Np2 O8 (O H)2 (H2 O)2","Inorganic Chemistry","1973","12","","466","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343661","8.304","","5.667","","5.683","","102.48","","75.96","","104.07","","248.129","","","","","","","","","","","","","4","P 1","P 1","1","","B3 H7 (C O)","","- C H7 B3 O -","- C H7 B3 O -","- C2 H14 B6 O2 -","2","2","","Glore, J.D.; Schaeffer, R.; Rathke, J.W.","Studies of boranes. XXXVII. Some reactions of triborane(7) and the structure of triborane(7)-carbonyl","Inorganic Chemistry","1973","12","","2175","2178","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343665","6.359","","9.765","","6.667","","90","","90","","90","","413.992","","","","","","","","","","","","","4","P b c m","-P 2c 2b","57","","Na2 N2 O3 H2 O","","- H2 N2 Na2 O4 -","- H2 N2 Na2 O4 -","- H8 N8 Na8 O16 -","4","0.5","","Hope, H.; Sequeira, M.R.","Angeli's salt. Crystal structure of sodium trioxodinitrate (II) monohydrate, Na2 N2 O3 H2 O","Inorganic Chemistry","1973","12","","286","288","","","","","","","","","","","","","","","","","","","","","","has coordinates","145348","2020-10-21","18:00:00",""
"4343667","7.352","","14.611","","10.561","","90","","105.273","","90","","1094.4","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","B10 H13 N C S","","- C H13 B10 N S -","- C H13 B10 N S -","- C4 H52 B40 N4 S4 -","4","1","","Kendall, D.S.; Lipscomb, W.N.","Molecular structure and two crystal structures of 6-isothiocyanodecaborane, 6-B10 H13 N C S","Inorganic Chemistry","1973","12","","2915","2919","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343668","7.93","","14.78","","9.47","","90","","101.68","","90","","1086.95","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","B10 H13 N C S","","- C H13 B10 N S -","- C H13 B10 N S -","- C4 H52 B40 N4 S4 -","4","1","","Kendall, D.S.; Lipscomb, W.N.","Molecular structure and two crystal structures of 6-isothiocyanodecaborane, 6-B10 H13 N C S","Inorganic Chemistry","1973","12","","2915","2919","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343669","9.25","","6.781","","7.152","","90","","90","","90","","448.604","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","N H3 B H2 N C S","","- C H5 B N2 S -","- C H5 B N2 S -","- C4 H20 B4 N8 S4 -","4","0.5","","Kendall, D.S.; Lipscomb, W.N.","Crystal and molecular structure of ammonia-isothiocyanoborane, N H3 B H2 N C S","Inorganic Chemistry","1973","12","","2920","2922","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343671","12.776","","7.666","","12.653","","90","","90","","90","","1239.24","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Cs Cu Br3","","- Br3 Cs Cu -","- Br3 Cs Cu -","- Br24 Cs8 Cu8 -","8","1","","Li, T.I.; Stucky, G.D.","Exchange interactions in polynuclear transition metal complexes. Structural properties of cesium tribromocuprate(II), Cs Cu Br3, a strongly coupled copper(II) system","Inorganic Chemistry","1973","12","","441","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343672","10.168","","7.954","","12.914","","90","","90","","90","","1044.44","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cs2 Cu Br4","","- Br4 Cs2 Cu -","- Br4 Cs2 Cu -","- Br16 Cs8 Cu4 -","4","0.5","","Li, T.I.; Stucky, G.D.","Exchange interactions in polynuclear transition metal complexes. Structural properties of cesium tribromocuprate(II), Cs Cu Br3, a strongly coupled copper(II) system","Inorganic Chemistry","1973","12","","441","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343680","12.3376","","9.9173","","5.5173","","90","","100.42","","90","","663.94","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","Rh F5","","- F5 Rh -","- F5 Rh -","- F40 Rh8 -","8","2","","Morrell, B.K.; Tressaud, A.; Zalkin, A.; Bartlett, N.","Crystal structure of rhodium pentafluoride","Inorganic Chemistry","1973","12","","2640","2644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343690","11.5","","11.53","","11.51","","90","","90","","90","","1526.17","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Co (N H3)6 Sb Cl6","","- Cl6 Co H18 N6 Sb -","- Cl6 Co H18 N6 Sb -","- Cl24 Co4 H72 N24 Sb4 -","4","0.5","","Schroeder, D. R.; Jacobson, R. A.","Crystal structure of hexaamminecobalt hexachloroantimonate (III)","Inorganic Chemistry","1973","12","","210","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4343691","7.223","","7.298","","12.432","","90","","93.15","","90","","654.344","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Co (N H3)6 Sb2 F9","","- Co F9 H18 N6 Sb2 -","- Co F9 H18 N6 Sb2 -","- Co2 F18 H36 N12 Sb4 -","2","0.5","","Schroeder, D. R.; Jacobson, R. A.","Crystal structure of hexaamminecobalt nonafluoroantimonate (III)","Inorganic Chemistry","1973","12","","515","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4343692","10.667","","10.667","","10.667","","90","","90","","90","","1213.74","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Cs2 Li Mn (C N)6","","- C6 Cs2 Li Mn N6 -","- C6 Cs2 Li Mn N6 -","- C24 Cs8 Li4 Mn4 N24 -","4","0.0208333","","Swanson, B.I.; Ryan, R.R.","Bonding trends in M(III) transition metal hexacyanides. Crystal structures of Cs2 Li M (C N)6 (M= Mn, Fe, Co)","Inorganic Chemistry","1973","12","","283","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343694","16.259","","16.259","","7.411","","90","","90","","90","","1959.14","","","","","","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","((N H3)5 Cr O H Cr (N H3)5) Cl5 H2 O","","- Cl5 Cr2 H33 N10 O2 -","- Cl5 Cr2 H N10 O2 -","- Cl20 Cr8 H4 N40 O8 -","4","0.25","","Veal, J.T.; Jeter, D.Y.; Hodgson, D.J.; Hempel, J.C.; Eckberg, R.P.; Hatfield, W.E.","Structural and magnetic characterization of mue-hydroxo-bis(pentaamminechromium(III)) chloride monohydrate, the acid rhodo chloride complex","Inorganic Chemistry","1973","12","","2928","2931","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343702","6.731","","17.556","","6.129","","90","","90","","90","","724.26","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Yb3 (Si O4)2 Cl","","- Cl O8 Si2 Yb3 -","- Cl O8 Si2 Yb3 -","- Cl4 O32 Si8 Yb12 -","4","0.5","","Ayasse, C.; Eick, H.A.","Synthesis and crystal structure of triytterbium chloroorthosilicate, Yb3 (Si O4)2 Cl","Inorganic Chemistry","1973","12","","1140","1143","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343703","7.991","","11.086","","7.25","","90","","90.68","","90","","642.219","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(Xe F) (Ru F6)","","- F7 Ru Xe -","- F7 Ru Xe -","- F28 Ru4 Xe4 -","4","1","","Bartlett, N.; Gennis, M.; Gibler, D.D.; Morrell, B.K.; Zalkin, A.","Crystal Structures of (XeF(+)) (RuF6(-)) and (XeF5(+)) (Ru F6(-))","Inorganic Chemistry","1973","12","","1717","1721","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343704","16.771","","8.206","","5.617","","90","","90","","90","","773.027","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Xe F5) (Ru F6)","","- F11 Ru Xe -","- F11 Ru Xe -","- F44 Ru4 Xe4 -","4","0.5","","Bartlett, N.; Gennis, M.; Gibler, D.D.; Morrell, B.K.; Zalkin, A.","Crystal structures of (Xe F(+)) (Ru F6(-)) and (Xe F5(+)) (Ru F6(-))","Inorganic Chemistry","1973","12","","1717","1721","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343706","13.52","","13.52","","13.52","","90","","90","","90","","2471.33","","","","","","","","","","","","","4","P 43 3 2","P 4acd 2ab 3","212","","K3 Pr2 (N O3)9","","- K3 N9 O27 Pr2 -","- K3 N9 O27 Pr2 -","- K12 N36 O108 Pr8 -","4","0.166667","","Carnall, W.T.; Siegel, S.; Ferraro, J.R.; Tani, B.S.; Gebert, E.","A new series of anhydrous double nitrate salts of the lanthanides. Structural and spectral characterization","Inorganic Chemistry","1973","12","","560","564","","","","","","","","","","","","","","","","","","","","","","has coordinates","146787","2020-10-21","18:00:00",""
"4343709","8.237","","9.984","","8.004","","72.54","","112.59","","117.05","","534.927","","","","","","","","","","","","","3","P -1","-P 1","2","","Xe F3 Sb2 F11","","- F14 Sb2 Xe -","- F14 Sb2 Xe -","- F28 Sb4 Xe2 -","2","1","","McKee, D.E.; Zalkin, A.; Bartlett, N.","Crystal Structure of (XeF3(+)) (Sb2F11(-))","Inorganic Chemistry","1973","12","","1713","1717","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343710","9.686","","9.872","","10.72","","90","","95.69","","90","","1020","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","((N H3)4 Ru (N H2)2 Ru (N H3)4) Cl4 (H2 O)4","","- Cl4 H36 N10 O4 Ru2 -","- Cl4 H36 N10 O4 Ru2 -","- Cl8 H72 N20 O8 Ru4 -","2","0.5","","Flood, M.T.; Ziolo, R.F.; Gray, H.B.; Earley, J.E.","Crystal and Molecular Structure of 'Ruthenium Black' - Di-mue-amido-bis(tetraammineruthenium(III) chloride tetrahydrate","Inorganic Chemistry","1973","12","","2153","2156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343712","4.963","","5.92","","6.857","","90","","90","","90","","201.465","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hg (O H) F","","- F H Hg O -","- F Hg O -","- F4 Hg4 O4 -","4","1","","Grdenic, D.; Sikirica, M.","Crystal structure of mercury(II) hydroxide fluoride","Inorganic Chemistry","1973","12","","544","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343713","12.677","","11.415","","6.759","","90","","90","","90","","978.081","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","(Cr (C O)4 (P H3)2)","","- C4 H6 Cr O4 P2 -","- C4 H6 Cr O4 P2 -","- C16 H24 Cr4 O16 P8 -","4","1","","Guggenberger, L.J.; Klabunde, U.; Schunn, R.A.","Group VI Metal Carbonyl Phosphine Complexes. Hydrogen-Deuterium Exchanqe and the Crystal Structure of Cis-Tetracarbonyldiphosphinechromium(0)","Inorganic Chemistry","1973","12","","1143","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343714","18.834","","6.806","","16.606","","90","","113.91","","90","","1945.95","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","In (Co (C O)4)3","","- C12 Co3 In O12 -","- C12 Co3 In O12 -","- C48 Co12 In4 O48 -","4","1","","Robinson, W.R.; Schussler, D.P.","Crystal and Molecular Structure of Tris(tetracarbonylcobalt)indium(III), In (Co (C O)4)3","Inorganic Chemistry","1973","12","","848","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343718","6.461","","14.325","","7.57","","90","","95.2","","90","","697.749","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Mn2 (P2 O7) (H2 O)2","","- H4 Mn2 O9 P2 -","- H3 Mn2 O9 P2 -","- H12 Mn8 O36 P8 -","4","1","","Schneider, S.; Collin, R.L.","Crystal structure of manganese pyrophosphate dihydrate, Mn2 P2 O7 (H2 O)2","Inorganic Chemistry","1973","12","","2136","2139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343725","9.346","","12.786","","9.397","","90","","90","","90","","1122.92","","","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","(Xe F5)2 (Pd F6)","","- F16 Pd Xe2 -","- F16 Pd Xe2 -","- F64 Pd4 Xe8 -","4","1","","Leary, K.; Zalkin, A.; Templeton, D.H.; Bartlett, N.","Crystal Structure of (XeF5(2+) (PdF6(2-))","Inorganic Chemistry","1973","12","","1726","1730","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343726","5.981","","8.551","","11.282","","90","","91.16","","90","","576.883","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Hg3 (As F6)2","","- As2 F12 Hg3 -","- As2 F12 Hg3 -","- As4 F24 Hg6 -","2","0.5","","Vutforth, B.D.; Davies, C.G.; Dean, P.A.W.; Ireland, P.R.; Gillespie, R.J.; Ummat, P.K.","Preparation and Raman Spectra of Compounds of the Hg3(2+) Cation. Crystal Structure of Trimercury Bis(hexafluoroarsenate(V)) Hg3 (As F6)2","Inorganic Chemistry","1973","12","","1343","1347","","","","","","","","","","","","","","","","","","","","","","has coordinates","148181","2020-10-21","18:00:00",""
"4344205","18.48","","3.374","","19.797","","90","","90","","90","","1234.37","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Nb14 S5 -","- Nb14 S5 -","- Nb56 S20 -","4","0.5","","Chen, H.-Y.; Tuenge, R.T.; Franzen, H.F.","Preparation and Crystal Structure of Nb14 S5","Inorganic Chemistry","1973","12","","552","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344294","13.89","","13.89","","10.692","","90","","90","","120","","1786.46","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","Bi10 (Hf Cl6)3","","- Bi10 Cl18 Hf3 -","- Bi10 Cl18 Hf3 -","- Bi20 Cl36 Hf6 -","2","0.166667","","Friedman, R.M.; Corbett, J.D.","Synthesis and Structural Characterization of Bismuth(1+) Nonabismuth(5+) Hexachlorohafnate(IV), Bi Bi9 (Hf Cl6)3","Inorganic Chemistry","1973","12","","1134","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","165392","2020-10-21","18:00:00",""
"4350811","21.7064","0.0007","21.7064","0.0007","7.3386","0.0005","90","","90","","90","","3457.7","0.3","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","Dibromo-tricarbonyl-(1,4,6-trimethylpyrimidine-2-thione-κN^3^,κS)- tungsten(II) acetone solvate","","- C13 H16 Br2 N2 O4 S W -","- C10 H10 Br2 N2 O3 S W -","- C80 H80 Br16 N16 O24 S8 W8 -","8","1","","Falcomer, Viviane A.S.; Lemos, Sebastião S.; Politi, José R.S.; Casagrande, Gleison A.; Lang, Ernesto S.; Burrow, Robert A.","Synthesis, structure and properties of the mixed-ligand tungsten(II) complex [WBr2(CO)3(tmpymt)] (tmpymt = 1,4,6-trimethylpyrimidine-2-thione)","Inorganic Chemistry Communications","2009","12","6","580","582","10.1016/j.inoche.2009.04.025","","","0.71073","MoKα","","0.0368","0.0249","","","0.0503","0.0529","","","","","","1.07","","","","has coordinates","272316","2022-01-28","08:18:35",""
"4502733","12.918","0.003","10.348","0.002","20.404","0.004","90","","108.09","0.03","90","","2592.7","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cu N2 O7 -","- C13 H12 Cu N2 O7 -","- C104 H96 Cu8 N16 O56 -","8","1","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","x-ray","0.71073","Mokα","","0.0624","0.0398","","","0.0792","0.0858","","","","","","1.1","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502734","7.2818","0.0004","11.8131","0.0012","17.4336","0.0013","74.138","0.008","82.298","0.006","86.668","0.006","1429.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu2 N4 O17 -","- C20 H14 Cu2 N4 O17 -","- C40 H28 Cu4 N8 O34 -","2","1","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","x-ray","0.71073","Mokα","","0.1052","0.0494","","","0.1212","0.142","","","","","","1.03","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502735","5.3547","0.0003","22.517","0.002","9.1684","0.0011","90","","101.346","0.007","90","","1083.85","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cu2 N2 O12 -","- C18 H14 Cu2 N2 O12 -","- C36 H28 Cu4 N4 O24 -","2","0.5","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","x-ray","0.71073","Mokα","","0.0788","0.0427","","","0.0933","0.1014","","","","","","0.975","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502736","7.2175","0.001","17.536","0.002","7.963","0.001","90","","96.224","0.01","90","","1001.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H29 Cu2 N3 O14 -","- C10 H17 Cu2 N3 O14 -","- C20 H34 Cu4 N6 O28 -","2","0.5","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","","0.71073","MoKα","","0.0758","0.0515","","","0.1167","0.125","","","","","","1.077","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502737","7.308","0.003","32.068","0.007","10.378","0.002","90","","93.66","0.02","90","","2427.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Co2 N2 O18 -","- C16 H12 Co2 N2 O18 -","- C64 H48 Co8 N8 O72 -","4","1","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","x-ray","0.71073","Mokα","","0.1934","0.0744","","","0.122","0.1506","","","","","","1.009","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502738","15.149","0.003","6.62","0.001","15.936","0.003","90","","90.62","0.03","90","","1598.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Co N2 O7 -","- C15 H16 Co N2 O7 -","- C60 H64 Co4 N8 O28 -","4","1","","Delgado, Fernando S.; Jiménez, Claudio A.; Lorenzo-Luis, Pablo; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Frances; Julve, Miguel; Ruiz-Pérez, Catalina","Novel Malonate-Containing Coordination Compounds with Ligands Having N- and NO-Donors: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","2","599","","10.1021/cg200675u","","x-ray","0.71073","Mokα","","0.0942","0.0448","","","0.0659","0.0753","","","","","","1.015","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502739","8.473","0.006","12.542","0.007","17.476","0.009","102.09","0.04","102.7","0.05","94.86","0.08","1754.8","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-Methyl-7-(methyloxy)-5-[4-(trifluoromethyl)phenyl] [1,2,4]triazolo[4,3-a]quinolin-4-amine, monohydrate","","- C19 H17 F3 N4 O2 -","- C19 H17 F3 N4 O2 -","- C76 H68 F12 N16 O8 -","4","2","","Kang, Feirong; Vogt, Frederick G.; Brum, Jeffrey; Forcino, Rachel; Copley, Royston C. B.; Williams, Glenn; Carlton, Robert","Effect of Particle Size and Morphology on the Dehydration Mechanism of a Non-Stoichiometric Hydrate","Crystal Growth & Design","2012","12","1","60","","10.1021/cg200768x","","","0.71073","MoKα","","0.1046","0.0599","","","0.1431","0.1654","","","","","","1.014","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502740","19.469","0.006","18.077","0.005","13.265","0.004","90","","131.213","0.004","90","","3512","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H37 N3 Ni O9 -","- C38 H37 N3 Ni O9 -","- C152 H148 N12 Ni4 O36 -","4","0.5","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.0815","0.0538","","","0.1343","0.1617","","","","","","1.092","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502741","13.631","0.0012","17.3491","0.0016","20.2809","0.0018","90","","119.844","0.002","90","","4160.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 N4 O9 Zn -","- C42 H44 N4 O9 Zn -","- C168 H176 N16 O36 Zn4 -","4","1","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.1418","0.0612","","","0.1567","0.2195","","","","","","1.028","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502742","20.845","0.002","13.071","0.0015","12.4964","0.0012","90","","90","","90","","3404.8","0.6","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H33 N3 O7 Zn -","- C38 H33 N3 O7 Zn -","- C152 H132 N12 O28 Zn4 -","4","1","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.0877","0.0493","","","0.0974","0.1067","","","","","","1.068","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502743","25.102","0.002","13.6985","0.0012","20.929","0.002","90","","107.745","0.002","90","","6854.2","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C140 H122 Cd4 N8 O33 -","- C140 H122 Cd4 N8 O33 -","- C280 H244 Cd8 N16 O66 -","2","0.25","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.1841","0.0911","","","0.209","0.2384","","","","","","1.058","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502744","13.983","0.0012","29.496","0.003","34.577","0.003","90","","90","","90","","14261","2","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C78 H76 N6 Ni2 O17 -","- C78 H76 N6 Ni2 O17 -","- C624 H608 N48 Ni16 O136 -","8","1","","Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi","A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism","Crystal Growth & Design","2012","12","1","79","","10.1021/cg2008057","","","0.71073","MoKα","","0.2803","0.1815","","","0.4329","0.4953","","","","","","1.365","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502745","23.2562","0.0006","23.2562","0.0006","62.035","0.002","90","","90","","120","","29056.6","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C204 H182 N24 O37 Zn6 -","- C204 H181.99 N24 O37 Zn6 -","- C1224 H1091.94 N144 O222 Zn36 -","6","0.333333","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","0.71073","MoKα","","0.1818","0.0685","","","0.1739","0.2321","","","","","","0.98","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502746","20.5","0.003","8.0727","0.001","20.27","0.003","90","","90.534","0.002","90","","3354.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H66 N12 O12 Zn3 -","- C78 H66 N12 O12 Zn3 -","- C156 H132 N24 O24 Zn6 -","2","0.5","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","0.71073","MoKα","","0.0605","0.0525","","","0.1342","0.149","","","","","","1.08","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502747","8.6826","0.0006","8.9946","0.0007","17.6757","0.0013","89.33","0.001","83.036","0.001","68.522","0.001","1274.28","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N4 O6 Zn -","- C26 H26 N4 O6 Zn -","- C52 H52 N8 O12 Zn2 -","2","1","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","0.71073","MoKα","","0.0371","0.0321","","","0.0815","0.0855","","","","","","1.055","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502748","13.142","0.0011","9.5179","0.0008","14.8006","0.0012","90","","107.726","0.001","90","","1763.4","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl6 N4 O4 Zn -","- C36 H28 Cl6 N4 O4 Zn -","- C72 H56 Cl12 N8 O8 Zn2 -","2","0.5","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","0.71073","MoKα","","0.0468","0.0403","","","0.1107","0.1157","","","","","","1.021","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502749","7.92","0.03","10.9","0.04","14.83","0.05","71.19","0.09","87.24","0.09","74.45","0.06","1166","7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 N8 O8 Zn2 -","- C52 H44 N8 O8 Zn2 -","- C52 H44 N8 O8 Zn2 -","1","0.5","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","0.71073","MoKα","","0.1115","0.0663","","","0.1909","0.2818","","","","","","0.983","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502750","24.7304","0.0001","24.7304","0.0001","35.59","0.0003","90","","90","","90","","21766.6","0.2","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C55 H55 N9 O11 Zn2 -","- C55 H55 N9 O11 Zn2 -","- C880 H880 N144 O176 Zn32 -","16","1","","Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui","Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands","Crystal Growth & Design","2012","12","1","99","","10.1021/cg200850r","","","1.54178","CuKα","","0.1027","0.0702","","","0.207","0.2316","","","","","","1.06","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502751","22.128","0.013","28.524","0.016","29.033","0.018","90","","90","","90","","18325","19","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 N3 O7 Y -","- C24 H12 N3 O7 Y -","- C768 H384 N96 O224 Y32 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.1045","0.087","","","0.2005","0.2113","","","","","","1.033","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502752","22.252","0.004","28.629","0.005","29.191","0.005","90","","90","","90","","18596","6","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 Eu N3 O7 -","- C24 H12 Eu N3 O7 -","- C768 H384 Eu32 N96 O224 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0415","0.0411","","","0.1242","0.1245","","","","","","1.049","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502753","22.245","0.006","28.583","0.007","29.143","0.012","90","","90","","90","","18530","10","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 Gd N3 O7 -","- C24 H12 Gd N3 O7 -","- C768 H384 Gd32 N96 O224 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0497","0.0476","","","0.1325","0.1343","","","","","","1.031","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502754","28.614","0.0012","22.2004","0.0007","29.1229","0.0014","90","","90","","90","","18500.1","1.3","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 N3 O7 Tb -","- C24 H12 N3 O7 Tb -","- C768 H384 N96 O224 Tb32 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0367","0.035","","","0.1051","0.1065","","","","","","1.024","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502755","22.262","0.009","28.637","0.011","29.118","0.011","90","","90","","90","","18563","13","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 Dy N3 O7 -","- C24 H12 Dy N3 O7 -","- C768 H384 Dy32 N96 O224 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0615","0.0569","","","0.1533","0.1568","","","","","","1.158","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502756","22.154","0.009","28.577","0.011","29.053","0.012","90","","90","","90","","18393","13","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 Ho N3 O7 -","- C24 H12 Ho N3 O7 -","- C768 H384 Ho32 N96 O224 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0806","0.0703","","","0.1471","0.1524","","","","","","1.169","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502757","22.1535","0.0011","28.595","0.003","29.043","0.003","90","","90","","90","","18398","3","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 Er N3 O7 -","- C24 H12 Er N3 O7 -","- C768 H384 Er32 N96 O224 -","32","1","","Zhang, Huabin; Li, Ning; Tian, Chongbin; Liu, Tianfu; Du, Fenglei; Lin, Ping; Li, Zhihua; Du, Shaowu","Unusual High Thermal Stability within a Series of Novel Lanthanide TATB Frameworks: Synthesis, Structure, and Properties (TATB = 4,4′,4″-s-Triazine-2,4,6-triyl-tribenzoate)","Crystal Growth & Design","2012","12","2","670","","10.1021/cg2008655","","","0.71073","MoKα","","0.0502","0.0494","","","0.1357","0.1361","","","","","","1.362","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502758","14.0676","0.0008","15.4153","0.0009","16.5488","0.001","75.932","0.003","67.906","0.002","82.713","0.003","3223","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHNK734PIC","","","- C72 H74 N6 O12 -","- C72 H74 N6 O12 -","- C144 H148 N12 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.71073","MoKα","","0.0542","0.036","","","0.0839","0.093","","","","","","1.017","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502759","47.057","0.01","10.814","0.002","19.964","0.004","90","","96.463","0.006","90","","10095","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","SRKRK36PY","","","- C55 H55 N3 O12 -","- C55 H55 N3 O12 -","- C440 H440 N24 O96 -","8","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","synchrotron","","0.1979","0.1053","","","0.2881","0.3389","","","","","","0.968","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502760","13.1917","0.0011","15.0871","0.0012","15.4152","0.0013","76.659","0.001","69.14","0.001","86.7","0.001","2788.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHRK642Pic","","","- C62 H69 N3 O12 -","- C62 H69 N3 O12 -","- C124 H138 N6 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","MoKα","","0.0988","0.062","","","0.1624","0.1804","","","","","","0.98","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502761","13.2896","0.0013","15.9321","0.0017","17.1668","0.0018","101.81","0.004","108.571","0.004","109.794","0.004","3036.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINSRKRK783PIC","","","- C68 H76 N4 O12 -","- C68 H76 N4 O12 -","- C136 H152 N8 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","synchrotron","","0.1069","0.0828","","","0.2167","0.2319","","","","","","1.07","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502762","12.0802","0.0017","15.437","0.002","21.491","0.003","81.538","0.006","89.043","0.007","80.534","0.007","3910","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINSRKRK784PIC","","","- C86 H97 N7 O12 -","- C86 H97 N7 O12 -","- C172 H194 N14 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.71073","MoKα","","0.061","0.0403","","","0.0946","0.1053","","","","","","1.032","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502763","12.9688","0.001","14.3799","0.0009","17.4055","0.001","77.53","0.003","85.616","0.003","70.008","0.003","2978.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHNK592PICBLOCK","","","- C66 H77 N3 O12 -","- C66 H77 N3 O12 -","- C132 H154 N6 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","synchrotron","","0.0729","0.0514","","","0.1319","0.1455","","","","","","1.026","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502764","13.3635","0.0009","16.9916","0.0012","17.2762","0.0012","102.818","0.004","109.97","0.003","107.634","0.004","3273.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINSRKRK153PIC","","","- C72 H84 N4 O12 -","- C72 H84 N4 O12 -","- C144 H168 N8 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","synchrotron","","0.0993","0.0745","","","0.1887","0.2076","","","","","","1.043","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502765","12.673","0.0011","12.7071","0.0012","23.05","0.002","94.607","0.005","90.904","0.005","106.987","0.004","3535.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK154PIC","","","- C78 H91 N5 O12 -","- C78 H91 N5 O12 -","- C156 H182 N10 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.71073","MoKα","","0.1553","0.1294","","","0.3534","0.3689","","","","","","1.032","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502766","13.0233","0.0012","14.8013","0.0014","18.4301","0.0018","69.357","0.002","80.651","0.002","70.56","0.002","3130.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHRK962EtPy","","","- C69 H83 N3 O12 -","- C69 H83 N3 O12 -","- C138 H166 N6 O24 -","2","1","","Kennedy, Stuart; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Tetra-O-Alkylp-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","679","","10.1021/cg2008864","","","0.7749","MoKα","","0.0849","0.0638","","","0.173","0.1912","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502767","11.1177","0.0016","22.716","0.003","24.758","0.004","86.694","0.002","86.086","0.002","81.891","0.002","6168.4","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK79Py","","","- C144 H129 N9 O30 -","- C144 H129 N9 O30 -","- C288 H258 N18 O60 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.0955","0.0577","","","0.1417","0.1657","","","","","","1.004","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502768","11.937","0.003","14.598","0.004","15.987","0.005","74.45","0.004","74.169","0.004","81.683","0.004","2574.4","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK792Pic","","","- C57 H56 N4 O10 -","- C57 H56 N4 O10 -","- C114 H112 N8 O20 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.1423","0.1019","","","0.2832","0.3194","","","","","","1.216","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502769","10.5621","0.0003","28.0473","0.0008","14.6049","0.0004","90","","93.396","0.002","90","","4318.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","FINISHSRKRK794Pic","","","- C51 H49 N3 O10 -","- C51 H49 N3 O10 -","- C204 H196 N12 O40 -","4","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.0793","0.0553","","","0.1294","0.1451","","","","","","1.004","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502770","11.2472","0.0007","29.1857","0.0017","14.4448","0.0009","90","","95.764","0.003","90","","4717.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","FINISRKRK794ETPY","","","- C54 H57 N3 O11 -","- C54 H55 N3 O10.5 -","- C216 H220 N12 O42 -","4","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.71073","MoKα","","0.1224","0.0868","","","0.2548","0.2925","","","","","","0.996","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502771","16.591","0.0017","16.9911","0.0017","20.657","0.002","87.571","0.002","69.483","0.002","65.087","0.002","4908.2","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK752Pic","","","- C112 H115 N7 O21 -","- C112 H113 N7 O21 -","- C224 H226 N14 O42 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.0943","0.0655","","","0.1667","0.1887","","","","","","1.045","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502772","10.0957","0.0006","22.2197","0.0013","24.6893","0.0015","79.318","0.002","83.082","0.002","78.796","0.002","5318.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK754PIC","","","- C124 H127 N9 O20 -","- C124 H127 N9 O20 -","- C248 H254 N18 O40 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.71073","MoKα","","0.0925","0.0576","","","0.1469","0.1735","","","","","","1.01","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502773","16.2735","0.0019","19.252","0.002","19.904","0.002","65.185","0.002","76.938","0.002","68.755","0.002","5255.3","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK752EtPy","","","- C119 H127 N7 O20 -","- C119 H127 N7 O20 -","- C238 H254 N14 O40 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.1332","0.0752","","","0.1921","0.2314","","","","","","1.03","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502774","12.2231","0.0014","15.3839","0.0018","16.3647","0.0019","65.841","0.002","85.056","0.002","88.842","0.002","2796.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","FINISHSRKRK702Pic","","","- C63 H68 N4 O10 -","- C63 H68 N4 O10 -","- C126 H136 N8 O20 -","2","1","","Kennedy, Stuart; Dodgson, India E.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes","Crystal Growth & Design","2012","12","2","688","","10.1021/cg200887d","","","0.7749","synchrotron","","0.1145","0.0858","","","0.2314","0.2587","","","","","","1.027","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502775","6.277","0.002","17.702","0.007","20.486","0.008","90","","97.565","0.005","90","","2256.5","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N2 O7 Zn -","- C22 H26 N2 O7 Zn -","- C88 H104 N8 O28 Zn4 -","4","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0896","0.0712","","","0.1794","0.1918","","","","","","1.095","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502776","14.2155","0.0012","11.8409","0.001","12.0213","0.001","90","","94.998","0.001","90","","2015.8","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C44 H38 N4 O9 Zn2 -","- C44 H38 N4 O9 Zn2 -","- C88 H76 N8 O18 Zn4 -","2","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0371","0.0304","","","0.075","0.0787","","","","","","1.072","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502777","8.6406","0.0007","17.6956","0.0015","13.3812","0.0011","90","","106.361","0.001","90","","1963.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Co N2 O5 -","- C22 H22 Co N2 O5 -","- C88 H88 Co4 N8 O20 -","4","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0331","0.0259","","","0.0635","0.0679","","","","","","1.036","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502778","25.142","0.011","10.672","0.005","16.359","0.007","90","","121.642","0.005","90","","3737","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Co N2 O4 -","- C22 H18 Co N2 O4 -","- C176 H144 Co8 N16 O32 -","8","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0733","0.0504","","","0.1184","0.1335","","","","","","1.053","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502779","13.3501","0.0019","18.33","0.003","8.5877","0.0012","90","","104.481","0.002","90","","2034.7","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Mn0.5 N O2.5 -","- C11 H11 Mn0.5 N O2.5 -","- C88 H88 Mn4 N8 O20 -","8","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0599","0.038","","","0.0777","0.0862","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502780","7.6663","0.001","8.237","0.001","13.7367","0.0017","79.712","0.001","76.309","0.001","63.431","0.001","751.14","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Mn N O5 -","- C16 H15 Mn N O5 -","- C32 H30 Mn2 N2 O10 -","2","1","","Xin, Ling-Yun; Liu, Guang-Zhen; Li, Xiao-Ling; Wang, Li-Ya","Structural Diversity for a Series of Metal(II) Complexes Based on Flexible 1,2-Phenylenediacetate and Dipyridyl-type Coligand","Crystal Growth & Design","2012","12","1","147","","10.1021/cg200903k","","","0.71073","MoKα","","0.0249","0.0233","","","0.0634","0.0649","","","","","","1.047","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502781","9.9115","0.0009","13.3645","0.0011","24.952","0.003","90","","93.168","0.009","90","","3300.1","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1I","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C132 H132 I12 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.149","0.0446","","","0.0936","0.1122","","","","","","0.787","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502782","9.9841","0.0017","13.211","0.003","15.709","0.002","110.275","0.014","95.634","0.012","91.971","0.014","1929","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, mesitylene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, mesitylene","","- C42 H45 I3 O3 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.154","0.1022","","","0.2983","0.3465","","","","","","1.043","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502783","9.8038","0.0004","13.4613","0.0008","15.6252","0.0008","111.364","0.005","97.151","0.004","90.132","0.004","1902.92","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, p-xylene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, p-xylene","","- C41 H43 I3 O3 -","- C41 H43 I3 O3 -","- C82 H86 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.0981","0.0412","","","0.0561","0.0622","","","","","","0.784","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502784","10.0669","0.0009","13.5062","0.0013","15.7971","0.0014","67.16","0.009","83.771","0.007","89.449","0.008","1966.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, m-xylene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, m-xylene","","- C41 H43 I3 O3 -","- C41 H43 I3 O3 -","- C82 H86 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.161","0.0642","","","0.1333","0.1819","","","","","","1.006","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502785","10.0282","0.0009","13.4705","0.0014","16.0032","0.0017","67.312","0.01","83.012","0.008","88.381","0.008","1979.3","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, o-xylene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, o-xylene","","- C41 H43 I3 O3 -","- C41 H43 I3 O3 -","- C82 H86 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1004","0.0661","","","0.1816","0.2123","","","","","","1.033","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502786","10.098","0.003","13.403","0.004","15.596","0.005","67.61","0.03","83.62","0.03","89.43","0.02","1938.4","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, toluene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, toluene","","- C40 H41 I3 O3 -","- C40 H41 I3 O3 -","- C80 H82 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1343","0.0752","","","0.2027","0.2334","","","","","","0.904","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502787","9.8957","0.0007","13.5157","0.0012","14.7007","0.0012","89.969","0.007","73.364","0.007","88.729","0.006","1883.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, benzene","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, benzene","","- C39 H39 I3 O3 -","- C39 H39 I3 O3 -","- C78 H78 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1319","0.0397","","","0.0835","0.0935","","","","","","0.771","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502788","13.3699","0.0007","9.8382","0.0006","28.8159","0.0018","90","","90.815","0.006","90","","3789.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1I, picoline","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, picoline","","- C39 H39 I3 O3 -","- C39 H40 I3 N O3 -","- C156 H160 I12 N4 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.0855","0.0471","","","0.0996","0.1156","","","","","","1.02","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502789","9.9646","0.0006","13.3987","0.0007","14.6107","0.0008","90.411","0.005","107.322","0.005","90.923","0.005","1861.85","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1I, pyridine","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, pyridine","","- C38 H38 I3 N O3 -","- C38 H38 I3 N O3 -","- C76 H76 I6 N2 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1059","0.0662","","","0.1477","0.1737","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502790","10.1786","0.0007","13.2728","0.0008","15.3343","0.001","112.047","0.006","99.559","0.006","90.891","0.005","1886.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, THF","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, tetrahydrofuran","","- C37 H41 I3 O4 -","- C37 H41 I3 O4 -","- C74 H82 I6 O8 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1085","0.0584","","","0.1655","0.1832","","","","","","1.043","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502791","10.181","0.0005","13.2626","0.0007","15.3407","0.0008","111.935","0.005","99.768","0.005","91.304","0.004","1885.17","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1I, chloroform","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, chloroform","","- C34 H34 Cl3 I3 O3 -","- C34 H34 Cl3 I3 O3 -","- C68 H68 Cl6 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.136","0.0588","","","0.1501","0.1728","","","","","","0.868","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502792","10.2695","0.0005","13.3775","0.0005","15.4731","0.0006","112.583","0.004","98.92","0.004","91.051","0.004","1931.89","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1I, TCM","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, tetrachloromethane","","- C34 H33 Cl4 I3 O3 -","- C34 H33 Cl4 I3 O3 -","- C68 H66 Cl8 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.0797","0.0427","","","0.1014","0.1095","","","","","","0.957","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502793","10.2538","0.0016","13.144","0.003","15.119","0.004","108.44","0.02","99.035","0.017","91.334","0.015","1903.3","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1I, DBE","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, 1,2-dibromoethane","","- C35 H37 Br2 I3 O3 -","- C35 H37 Br2 I3 O3 -","- C70 H74 Br4 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.2441","0.0817","","","0.194","0.2511","","","","","","0.828","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502794","10.2164","0.0012","13.0464","0.0013","15.0017","0.0014","108.594","0.009","99.23","0.009","91.576","0.009","1864","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1I, DCE","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes, 1,2-dichloroethane","","- C35 H37 Cl2 I3 O3 -","- C35 H37 Cl2 I3 O3 -","- C70 H74 Cl4 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1266","0.0652","","","0.1732","0.1929","","","","","","0.969","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502795","9.9745","0.0008","13.3547","0.0008","15.7276","0.0013","113.199","0.007","97.615","0.007","90.585","0.006","1904.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, dioxane","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzenes","","- C37 H41 I3 O5 -","- C37 H41 I3 O5 -","- C74 H82 I6 O10 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1353","0.0725","","","0.1853","0.2311","","","","","","1.031","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502796","9.8411","0.0003","13.226","0.0005","15.5234","0.0006","111.333","0.004","94.651","0.003","91.72","0.003","1872","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1I, EtOAc","1,3,5-triethyl-2,4,6-tris(4-iodophenoxy)methylbenzene, ethyl acetate","","- C37 H41 I3 O5 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1217","0.0448","","","0.0769","0.0841","","","","","","0.726","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502797","19.174","0.0006","13.3687","0.0004","25.1912","0.0009","90","","109.733","0.004","90","","6078.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1Br","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C264 H264 Br24 O24 -","8","2","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1381","0.0485","","","0.0788","0.0902","","","","","","0.823","","","","has coordinates","179558","2020-10-21","18:00:00",""
"4502798","9.801","0.003","13.233","0.005","14.875","0.005","110.46","0.03","93.13","0.03","91.25","0.03","1803.1","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, mesitylene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, mesitylene","","- C42 H45 Br3 O3 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1475","0.0817","","","0.2222","0.2463","","","","","","0.9","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502799","9.808","0.002","13.395","0.003","15.31","0.004","70.52","0.02","83.247","0.019","89.667","0.018","1881.9","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, p-xylene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, p-xylene","","- C41 H43 Br3 O3 -","- C41 H43 Br3 O3 -","- C82 H86 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1529","0.044","","","0.0839","0.0955","","","","","","0.734","","","","has coordinates,has disorder","179558","2020-10-21","18:00:00",""
"4502800","9.8161","0.0012","13.3655","0.0016","15.1616","0.0014","111.925","0.01","94.508","0.009","90.031","0.01","1838.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, m-xylene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, m-xylene","","- C41 H43 Br3 O3 -","- C41 H43 Br3 O3 -","- C82 H86 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.2461","0.0874","","","0.2286","0.3215","","","","","","0.93","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502801","9.7102","0.0008","13.2482","0.0014","15.465","0.002","94.363","0.01","104.129","0.009","90.268","0.008","1923.1","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, o-xylene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, o-xylene","","- C41 H43 Br3 O3 -","- C41 H43 Br3 O3 -","- C82 H86 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.357","0.1058","","","0.2318","0.3506","","","","","","0.959","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502802","9.9162","0.0006","13.3896","0.0007","15.2018","0.0008","67.444","0.005","83.931","0.005","88.884","0.005","1853.07","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, toluene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, toluene","","- C40 H41 Br3 O3 -","- C40 H41 Br3 O3 -","- C80 H82 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1731","0.0553","","","0.14","0.1597","","","","","","0.82","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502803","9.5681","0.0006","13.1798","0.0007","14.513","0.0012","90.091","0.006","106.705","0.007","90.654","0.005","1752.8","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, benzene","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, benzene","","- C39 H39 Br3 O3 -","- C39 H39 Br3 O3 -","- C78 H78 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1193","0.0442","","","0.0641","0.0716","","","","","","0.729","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502804","9.832","0.003","13.41","0.003","15.586","0.004","66.27","0.02","82.19","0.02","89.57","0.02","1861.3","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1Br, TCM","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, tetrachloromethane","","- C34 H33 Br3 Cl4 O3 -","- C34 H33 Br3 Cl4 O3 -","- C68 H66 Br6 Cl8 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1539","0.0484","","","0.1119","0.1297","","","","","","0.839","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502805","9.5604","0.0006","13.2749","0.001","15.5833","0.0016","115.387","0.009","97.629","0.007","90.249","0.005","1766.8","0.3","149.9","","149.9","","","","","","","","","4","P -1","-P 1","2","1Br, dioxane","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, dioxane","","- C37 H41 Br3 O5 -","- C37 H41 Br3 O5 -","- C74 H82 Br6 O10 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1988","0.0917","","","0.1862","0.2417","","","","","","0.98","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502806","9.834","0.002","13.26","0.003","15.464","0.004","114.36","0.02","99.248","0.019","90.523","0.018","1806.7","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","1Br, chloroform","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, chloroform","","- C34 H34 Br3 Cl3 O3 -","- C34 H34 Br3 Cl3 O3 -","- C68 H68 Br6 Cl6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.2429","0.0638","","","0.1409","0.1651","","","","","","0.703","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502807","9.8007","0.0011","13.2597","0.0014","15.399","0.003","65.73","0.013","80.947","0.011","89.95","0.009","1797","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, THF","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, tetrahydrofuran","","- C37 H41 Br3 O4 -","- C37 H41 Br3 O4 -","- C74 H82 Br6 O8 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.214","0.0581","","","0.1324","0.1579","","","","","","0.767","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502808","9.72","0.0004","13.146","0.0005","15.3461","0.0006","115.255","0.004","100.304","0.003","91.211","0.003","1734.39","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","1Br, pyridine","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, pyridine","","- C38 H38 Br3 N O3 -","- C38 H38 Br3 N O3 -","- C76 H76 Br6 N2 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1024","0.057","","","0.1169","0.1413","","","","","","1.027","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502809","13.1646","0.0008","9.5578","0.0006","28.023","0.002","90","","91.074","0.006","90","","3525.4","0.4","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1Br, picoline","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, picoline","","- C39 H40 Br3 N O3 -","- C39 H40 Br3 N O3 -","- C156 H160 Br12 N4 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1701","0.1298","","","0.289","0.3095","","","","","","1.147","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502810","9.8164","0.0017","13.401","0.0016","14.992","0.003","110.825","0.014","92.594","0.015","90.18","0.012","1841.1","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Br, EtOAc","1,3,5-triethyl-2,4,6-tris(4-bromophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Br3 O5 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1451","0.0539","","","0.1359","0.1439","","","","","","0.818","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502811","28.8875","0.0011","13.467","0.0004","24.9657","0.0011","90","","110.691","0.005","90","","9085.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1Cl","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene","","- C33 H33 Cl3 O3 -","- C33 H33 Cl3 O3 -","- C396 H396 Cl36 O36 -","12","3","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.2748","0.1226","","","0.3407","0.4118","","","","","","1.029","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502812","10.4401","0.001","15.619","0.0013","16.1505","0.0015","64.153","0.009","71.764","0.009","77.321","0.008","2240.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Cl. p-xylene","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, p-xylene","","- C49 H53 Cl3 O3 -","- C49 H53 Cl3 O3 -","- C98 H106 Cl6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.3468","0.0619","","","0.0825","0.1257","","","","","","0.737","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502813","10.4818","0.0003","14.9433","0.0006","28.9839","0.001","82.604","0.003","81.764","0.003","78.806","0.003","4383.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Cl. m-xylene","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, m-xylene","","- C49 H53 Cl3 O3 -","- C49 H53 Cl3 O3 -","- C196 H212 Cl12 O12 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.277","0.1051","","","0.2377","0.3339","","","","","","0.985","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502814","10.8048","0.0007","14.5554","0.0009","16.1308","0.0011","103.806","0.006","108.989","0.006","99.514","0.006","2246.5","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Cl.o-xylene","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, o-xylene","","- C49 H53 Cl3 O3 -","- C41 H43 Cl3 O3 -","- C82 H86 Cl6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1371","0.0896","","","0.2598","0.3008","","","","","","1.026","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502815","10.472","0.006","14.437","0.005","15.721","0.006","106.41","0.03","108.55","0.04","99.14","0.04","2079.1","1.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Cl, toluene","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, tolene","","- C40 H40 Cl3 O3 -","- C40 H40 Cl3 O3 -","- C80 H80 Cl6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1552","0.1037","","","0.2934","0.3471","","","","","","1.028","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502816","10.1834","0.0003","13.561","0.0004","23.4243","0.0007","90","","91.118","0.003","90","","3234.21","0.17","199.2","","199.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1Cl, dioxane","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, dioxane","","- C35 H37 Cl3 O4 -","- C35 H37 Cl3 O4 -","- C140 H148 Cl12 O16 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.0755","0.0528","","","0.1133","0.1276","","","","","","1.059","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502817","9.7072","0.0008","13.4028","0.0009","14.6608","0.0014","110.951","0.007","91.936","0.007","90.081","0.006","1780.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1Cl, EtOAc","1,3,5-triethyl-2,4,6-tris(4-chlorophenoxy)methylbenzene, ethyl acetate","","- C37 H41 Cl3 O5 -","- C33 H33 Cl3 O3 -","- C66 H66 Cl6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1116","0.0769","","","0.2389","0.2578","","","","","","1.08","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502818","10.757","0.005","18.021","0.007","14.908","0.005","90","","104.84","0.04","90","","2794","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1F","1,3,5-triethyl-2,4,6-tris(4-fluorophenoxy)methylbenzene","","- C33 H33 F3 O3 -","- C33 H33 F3 O3 -","- C132 H132 F12 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.4421","0.0885","","","0.0683","0.1154","","","","","","0.774","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502819","10.6112","0.0006","14.1378","0.0013","15.7189","0.0012","69.361","0.008","71.285","0.006","78.462","0.006","2080","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1F, toluene","1,3,5-triethyl-2,4,6-tris(4-fluorophenoxy)methylbenzenes, toluene","","- C47 H46 F3 O3 -","- C43.5 H44.5 F3 O3 -","- C87 H89 F6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1994","0.0925","","","0.2783","0.311","","","","","","0.88","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502820","10.4099","0.0004","14.6555","0.0005","16.064","0.0006","65.02","0.004","72.014","0.004","77.879","0.003","2103.92","0.15","200","2","200","2","","","","","","","","4","P -1","-P 1","2","1F, p-xylene","1,3,5-triethyl-2,4,6-tris(4-fluorophenoxy)methylbenzene, p-xylene","","- C49 H53 F3 O3 -","- C49 H53 F3 O3 -","- C98 H106 F6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1118","0.0457","","","0.1018","0.1155","","","","","","0.864","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502821","10.4319","0.0002","14.501","0.0004","28.879","0.0008","81.27","0.002","80.474","0.002","77.067","0.002","4169.05","0.19","150","","150","","","","","","","","","4","P -1","-P 1","2","1F, m-xylene","1,3,5-triethyl-2,4,6-tris(4-fluorophenoxy)methylbenzene, m-xylene","","- C49 H53 F3 O3 -","- C49 H53 F3 O3 -","- C196 H212 F12 O12 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.1683","0.0946","","","0.1541","0.1849","","","","","","1.031","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502822","10.6739","0.0016","14.39","0.002","15.89","0.002","69.666","0.014","71.915","0.013","77.992","0.013","2161.7","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1F, p-xylene","1,3,5-triethyl-2,4,6-tris(4-fluorophenoxy)methylbenzene, p-xylene","","- C49 H53 F3 O3 -","- C41 H43 F3 O3 -","- C82 H86 F6 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.71073","MoKα","","0.1667","0.0988","","","0.2846","0.3474","","","","","","0.992","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502823","10.3507","0.0007","19.1256","0.0012","15.2676","0.0012","90","","96.584","0.007","90","","3002.5","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1Me","1,3,5-triethyl-2,4,6-tris(4-methylphenoxy)methylbenzenes","","- C36 H42 O3 -","- C36 H42 O3 -","- C144 H168 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Isostructurality in the Guest Free Forms and in the Clathrates of 1,3,5-Triethyl-2,4,6-tris(4-halophenoxy)methylbenzenes","Crystal Growth & Design","2012","12","1","169","","10.1021/cg2009144","","","0.7107","MoKα","","0.2135","0.074","","","0.1339","0.191","","","","","","0.995","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502824","21.836","0.003","5.6444","0.0007","22.146","0.003","90","","109.339","0.002","90","","2575.5","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","2","","Zhou, Tianlei; Jia, Tao; Zhao, Shanshan; Guo, Jianhua; Zhang, Hongyu; Wang, Yue","Acid-Stimuli-Luminescence and Carbonyl-Proton Interaction Dependent Emission Properties of 2,6-Biphenyl-4-pyrone Crystals","Crystal Growth & Design","2012","12","1","179","","10.1021/cg200920d","","","0.71073","MoKα","","0.1178","0.05","","","0.1245","0.1659","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502825","9.963","0.004","10.692","0.004","10.733","0.007","115.046","0.009","111.896","0.01","99.061","0.007","890.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 Cl3 O2 -","- C18 H15 Cl3 O2 -","- C36 H30 Cl6 O4 -","2","1","","Zhou, Tianlei; Jia, Tao; Zhao, Shanshan; Guo, Jianhua; Zhang, Hongyu; Wang, Yue","Acid-Stimuli-Luminescence and Carbonyl-Proton Interaction Dependent Emission Properties of 2,6-Biphenyl-4-pyrone Crystals","Crystal Growth & Design","2012","12","1","179","","10.1021/cg200920d","","","0.71073","MoKα","","0.0848","0.0588","","","0.1605","0.1813","","","","","","1.052","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502826","9.4765","0.0019","9.5705","0.0019","18.723","0.004","90","","102.69","0.03","90","","1656.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F3 O4 -","- C19 H13 F3 O4 -","- C76 H52 F12 O16 -","4","1","","Zhou, Tianlei; Jia, Tao; Zhao, Shanshan; Guo, Jianhua; Zhang, Hongyu; Wang, Yue","Acid-Stimuli-Luminescence and Carbonyl-Proton Interaction Dependent Emission Properties of 2,6-Biphenyl-4-pyrone Crystals","Crystal Growth & Design","2012","12","1","179","","10.1021/cg200920d","","","0.71073","MoKα","","0.0786","0.0616","","","0.1946","0.2101","","","","","","1.055","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502827","5.6114","0.0011","10.648","0.002","26.171","0.005","90","","90.14","0.03","90","","1563.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Zhou, Tianlei; Jia, Tao; Zhao, Shanshan; Guo, Jianhua; Zhang, Hongyu; Wang, Yue","Acid-Stimuli-Luminescence and Carbonyl-Proton Interaction Dependent Emission Properties of 2,6-Biphenyl-4-pyrone Crystals","Crystal Growth & Design","2012","12","1","179","","10.1021/cg200920d","","","0.71073","MoKα","","0.1153","0.0559","","","0.1123","0.1324","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502828","13.022","0.003","19.354","0.004","7.3607","0.0015","90","","123.63","0.03","90","","1544.6","0.8","293.1","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N4 O4 Zn -","- C16 H12 N4 O4 Zn -","- C64 H48 N16 O16 Zn4 -","4","0.5","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.075","0.0524","","","0.09","0.0961","","","","","","1.091","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502829","8.1487","0.0016","14.991","0.003","11.733","0.002","90","","109.48","0.03","90","","1351.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N3 O4 Zn -","- C14 H10 N3 O4 Zn -","- C56 H40 N12 O16 Zn4 -","4","1","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.14","0.0819","","","0.1487","0.172","","","","","","1.108","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502830","8.0153","0.0016","8.0153","0.0016","33.532","0.007","90","","90","","90","","2154.3","0.8","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C24 H18 N4 O5 Zn -","- C24 H18 N4 O5 Zn -","- C96 H72 N16 O20 Zn4 -","4","1","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.1556","0.0893","","","0.1232","0.1436","","","","","","1.061","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502831","10.302","0.002","11.876","0.002","32.266","0.007","90","","90","","90","","3947.6","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N6 O10 Zn2 -","- C42 H36 N6 O10 Zn2 -","- C168 H144 N24 O40 Zn8 -","4","1","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.0312","0.0292","","","0.0668","0.068","","","","","","1.031","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502832","10.556","0.002","11.849","0.002","17.512","0.006","90","","117.96","0.02","90","","1934.7","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","1","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.083","0.0553","","","0.0982","0.1067","","","","","","1.152","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502833","15.109","0.003","20.8","0.004","12.03","0.002","90","","118.22","0.03","90","","3331.3","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N8 O14 Zn3 -","- C30 H24 N8 O14 Zn3 -","- C120 H96 N32 O56 Zn12 -","4","0.5","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.0713","0.0487","","","0.0878","0.0944","","","","","","1.104","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502834","19.0572","0.0004","10.2321","0.0002","15.3048","0.0003","90","","101.993","0.001","90","","2919.22","0.1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Cr I3 N9 -","- C24 H21 Cr I3 N9 -","- C96 H84 Cr4 I12 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0258","0.023","","","0.0456","0.0466","","","","","","1.087","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502835","20.4121","0.0015","14.2849","0.001","12.4715","0.0009","90","","106.623","0.004","90","","3484.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Fe I3 N11 -","- C28 H27 Fe I3 N11 -","- C112 H108 Fe4 I12 N44 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0856","0.0618","","","0.1534","0.173","","","","","","1.182","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502836","18.929","0.004","10.141","0.002","15.118","0.003","90","","100.068","0.012","90","","2857.3","1","100","2","100.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Co I3 N9 -","- C24 H21 Co I3 N9 -","- C96 H84 Co4 I12 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0953","0.0654","","","0.1508","0.166","","","","","","1.063","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502837","20.2858","0.0009","14.2364","0.0006","12.4838","0.0005","90","","106.402","0.002","90","","3458.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Co I3 N11 -","- C28 H27 Co I3 N11 -","- C112 H108 Co4 I12 N44 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0608","0.0378","","","0.0954","0.1333","","","","","","1.127","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502838","18.886","0.0007","10.1126","0.0004","15.0093","0.0005","90","","104.032","0.002","90","","2781.04","0.18","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Br3 Cr N9 -","- C24 H21 Br3 Cr N9 -","- C96 H84 Br12 Cr4 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.019","0.018","","","0.0448","0.0452","","","","","","1.048","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502839","18.7217","0.0005","9.9933","0.0003","14.8638","0.0004","90","","102.81","0.002","90","","2711.68","0.13","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Br3 Fe N9 -","- C24 H21 Br3 Fe N9 -","- C96 H84 Br12 Fe4 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0425","0.0363","","","0.0818","0.0836","","","","","","1.426","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502840","18.679","0.0005","9.9819","0.0002","14.825","0.0004","90","","102.239","0.001","90","","2701.33","0.12","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H21 Br3 Co N9 -","- C24 H21 Br3 Co N9 -","- C96 H84 Br12 Co4 N36 -","4","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0215","0.0187","","","0.0378","0.0386","","","","","","1.103","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502841","19.8999","0.0008","15.4142","0.0006","12.442","0.0004","90","","113.878","0.002","90","","3489.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cr I6 N9 -","- C24 H18 Cr I6 N9 -","- C96 H72 Cr4 I24 N36 -","4","0.5","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0243","0.0211","","","0.0586","0.0733","","","","","","2.158","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502842","19.898","0.0006","15.4085","0.0005","12.4411","0.0003","90","","113.893","0.002","90","","3487.54","0.18","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Fe I6 N9 -","- C24 H18 Fe I6 N9 -","- C96 H72 Fe4 I24 N36 -","4","0.5","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0708","0.0412","","","0.092","0.114","","","","","","1.31","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502843","19.8874","0.0007","15.3305","0.0006","12.2069","0.0004","90","","114.187","0.002","90","","3395","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Co I6 N9 -","- C24 H18 Co I6 N9 -","- C96 H72 Co4 I24 N36 -","4","0.5","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.0603","0.0367","","","0.0722","0.0972","","","","","","1.464","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502844","8.738","0.002","11.072","0.002","18.798","0.004","79.54","0.03","84.86","0.03","84.84","0.03","1776.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Br6 Cr N9 O4 -","- C24 H24 Br6 Cr N9 O4 -","- C48 H48 Br12 Cr2 N18 O8 -","2","1","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.71073","MoKα","","0.1001","0.0585","","","0.1403","0.1577","","","","","","1.044","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502845","18.824","0.005","14.901","0.004","11.831","0.003","90","","111.52","0.003","90","","3087.2","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br6 Fe N9 -","- C24 H18 Br6 Fe N9 -","- C96 H72 Br24 Fe4 N36 -","4","0.5","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.6998","synchrotron","","0.038","0.029","","","0.0579","0.0635","","","","","","1.183","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502846","18.901","0.004","14.878","0.003","11.767","0.002","90","","111.617","0.002","90","","3076.3","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br6 Co N9 -","- C24 H18 Br6 Co N9 -","- C96 H72 Br24 Co4 N36 -","4","0.5","","Ormond-Prout, Johnathan E.; Smart, Paul; Brammer, Lee","Cyanometallates as Halogen Bond Acceptors","Crystal Growth & Design","2012","12","1","205","","10.1021/cg200942u","","","0.6998","synchrotron","","0.0527","0.0513","","","0.1633","0.1686","","","","","","1.508","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502847","15.0249","0.0012","6.1107","0.0005","28.663","0.002","90","","97.386","0.004","90","","2609.8","0.4","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","2:1 Cholesterol:Propanol solvate","","","- C57 H100 O3 -","- C57 H100 O3 -","- C114 H200 O6 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0643","0.0428","","","0.0925","0.1039","","","","","","0.998","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502848","15.0634","0.0009","6.0931","0.0004","29.1765","0.0018","90","","96.583","0.003","90","","2660.2","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","2:1 Cholesterol:Butanol solvate","","","- C58 H102 O3 -","- C58 H102 O3 -","- C116 H204 O6 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0894","0.0642","","","0.1611","0.1829","","","","","","1.044","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502849","42.9792","0.0015","10.3021","0.0004","6.2807","0.0002","90","","96.225","0.002","90","","2764.55","0.17","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","2:1 Cholesterol:pentanol","","","- C64 H104 O3 -","- C60.5 H92 O3 -","- C121 H184 O6 -","2","0.5","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0798","0.0676","","","0.1959","0.2146","","","","","","1.061","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502850","42.982","0.002","10.3695","0.0007","6.2684","0.0004","90","","96.166","0.003","90","","2777.7","0.3","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","2:1 Cholesterol:hexanol solvate","","","- C60 H106 O3 -","- C60 H106 O3 -","- C120 H212 O6 -","2","0.5","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0936","0.0774","","","0.2203","0.2357","","","","","","1.092","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502851","11.5935","0.0009","6.1697","0.0005","21.1002","0.0016","90","","105.446","0.004","90","","1454.8","0.2","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","1:1 Cholesterol:Phenol solvate","","","- C33 H52 O2 -","- C33 H52 O2 -","- C66 H104 O4 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0534","0.0466","","","0.1225","0.129","","","","","","1.027","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502852","15.699","0.002","7.5133","0.0009","23.492","0.003","90","","94.643","0.009","90","","2761.8","0.6","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","2:1:1 Cholesterol: Benzyl alcohol hydrate","","","- C61 H102 O4 -","- C61 H102 O4 -","- C122 H204 O8 -","2","1","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0621","0.0391","","","0.08","0.0886","","","","","","1.016","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502853","42.676","0.004","10.2044","0.0011","6.3396","0.0006","90","","97.501","0.006","90","","2737.2","0.5","123","2","123","2","","","","","","","","3","C 1 2 1","C 2y","5","1:1 Cholesterol:phenylethanol solvate","","","- C62 H102 O3 -","- C62 H102 O3 -","- C124 H204 O6 -","2","0.5","","Galloway, Rhona J.; Raza, Syed A.; Young, Robert D.; Oswald, Iain D. H.","Tracking the Structural Changes in a Series of Cholesterol Solvates","Crystal Growth & Design","2012","12","1","231","","10.1021/cg200971f","","","0.71073","MoKα","","0.0549","0.0475","","","0.1239","0.1335","","","","","","1.045","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502854","10.543","0.004","16.296","0.005","17.04","0.006","112.18","0.016","90.699","0.015","106.481","0.019","2576","1.6","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C57.88 H35.88 Br4 N0.77 O8 -","- C57.9 H35.9 Br4 N0.78 O8 -","- C115.8 H71.8 Br8 N1.56 O16 -","2","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1646","0.1273","","","0.3379","0.3668","","","","","","1.127","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502855","10.223","0.0011","16.4842","0.0017","19.0391","0.0019","65.799","0.005","85.211","0.005","73.177","0.005","2798.9","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.719 H43.011 I4 N1.573 O9.573 -","- C58.719 H43.011 I4 N1.573 O9.573 -","- C117.438 H86.022 I8 N3.146 O19.146 -","2","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.123","0.0589","","","0.1335","0.1612","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502856","10.6242","0.0012","16.3746","0.0017","16.9432","0.0018","111.993","0.005","91.015","0.005","106.38","0.005","2596.8","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C58.53 H36.53 I4 N0.91 O8 -","- C58.55 H36.55 I4 N0.91 O8 -","- C117.1 H73.1 I8 N1.82 O16 -","2","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.0786","0.0523","","","0.1189","0.1329","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502857","10.3097","0.0011","37.511","0.004","16.749","0.0018","90","","107.176","0.005","90","","6188.4","1.2","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68.74 H46.74 I4 N2.974 O8 -","- C68.87 H46.87 I4 N2.974 O8 -","- C275.48 H187.48 I16 N11.896 O32 -","4","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1089","0.0499","","","0.1047","0.1249","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502858","11.3913","0.0012","14.9677","0.0016","29.896","0.003","90","","93.341","0.005","90","","5088.7","0.9","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H39 Br4 N O9 -","- C57 H39 Br4 N O9 -","- C228 H156 Br16 N4 O36 -","4","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.106","0.0519","","","0.1124","0.1336","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502859","11.9174","0.0013","15.3574","0.0016","16.0001","0.0017","65.224","0.005","70.717","0.005","77.858","0.005","2500.8","0.5","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H37 Br4 N O8 -","- C59 H37 Br4 N O8 -","- C118 H74 Br8 N2 O16 -","2","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1053","0.0478","","","0.0886","0.1059","","","","","","1.014","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4502860","22.073","0.003","8.6817","0.001","23.886","0.003","90","","94.603","0.005","90","","4562.5","1","190","2","190","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 Br4 O8 -","- C54 H32 Br4 O8 -","- C216 H128 Br16 O32 -","4","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1285","0.0597","","","0.1178","0.1421","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502861","10.2588","0.0011","15.3024","0.0016","30.704","0.004","96.614","0.005","90.414","0.005","95.087","0.005","4768.4","0.9","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H32 I4 O8 -","- C54 H32 I4 O8 -","- C216 H128 I16 O32 -","4","2","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1556","0.0563","","","0.0938","0.1211","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502862","10.2173","0.0011","16.4911","0.0017","19.045","0.002","65.831","0.005","85.161","0.005","73.224","0.005","2801","0.5","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C57.48 H40.12 Br4 N1.16 O9.16 -","- C57.492 H40.148 Br4 N1.164 O9.164 -","- C114.984 H80.296 Br8 N2.328 O18.328 -","2","1","","Kapadia, Pradeep P.; Swenson, Dale C.; Pigge, F. Christopher","Influence of Halogen Bonding Interactions in Crystalline Networks of Tetraarylethylene Halobenzoyl Esters","Crystal Growth & Design","2012","12","2","698","","10.1021/cg200986v","","","0.71073","MoKα","","0.1038","0.0748","","","0.2116","0.24","","","","","","1.066","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502863","6.6989","0.0004","27.3867","0.0019","15.2901","0.0011","90","","90.319","0.003","90","","2805.1","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fluconazole","2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C104 H96 F16 N48 O8 -","8","2","","Karanam, Maheswararao; Dev, Sagarika; Choudhury, Angshuman Roy","New Polymorphs of Fluconazole: Results from Cocrystallization Experiments","Crystal Growth & Design","2012","12","1","240","","10.1021/cg201005y","","","0.71073","MoKα","","0.0568","0.0346","","","0.0728","0.0822","","","","","","1.024","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502864","12.9282","0.0009","6.0241","0.0005","34.834","0.003","90","","90","","90","","2712.9","0.4","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C104 H96 F16 N48 O8 -","8","1","","Karanam, Maheswararao; Dev, Sagarika; Choudhury, Angshuman Roy","New Polymorphs of Fluconazole: Results from Cocrystallization Experiments","Crystal Growth & Design","2012","12","1","240","","10.1021/cg201005y","","","0.71073","MoKα","","0.093","0.0696","","","0.1564","0.1664","","","","","","1.158","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502865","27.4726","0.0009","10.9196","0.0004","22.3424","0.0012","90","","125.337","0.002","90","","5467.7","0.4","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Fluconazole","2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C208 H192 F32 N96 O16 -","16","2","","Karanam, Maheswararao; Dev, Sagarika; Choudhury, Angshuman Roy","New Polymorphs of Fluconazole: Results from Cocrystallization Experiments","Crystal Growth & Design","2012","12","1","240","","10.1021/cg201005y","","","0.71073","MoKα","","0.0841","0.0649","","","0.1854","0.2002","","","","","","1.065","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502866","10.9186","0.0009","22.3367","0.0018","22.3619","0.0017","90","","90","","90","","5453.7","0.8","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Fluconazole","2-(2,4-difluorophenyl)-1,3-di(1H-1,2,4-triazol-1-yl)propan-2-ol","","- C13 H12 F2 N6 O -","- C13 H12 F2 N6 O -","- C208 H192 F32 N96 O16 -","16","2","","Karanam, Maheswararao; Dev, Sagarika; Choudhury, Angshuman Roy","New Polymorphs of Fluconazole: Results from Cocrystallization Experiments","Crystal Growth & Design","2012","12","1","240","","10.1021/cg201005y","","","0.71073","MoKα","","0.1143","0.0861","","","0.2236","0.265","","","","","","1.066","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502867","7.5384","0.0004","12.7514","0.0006","13.4479","0.0005","92.749","0.004","104.919","0.004","102.13","0.004","1214.07","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F8 I4 N2 -","- C18 H12 F8 I4 N2 -","- C36 H24 F16 I8 N4 -","2","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0421","0.0289","","","0.0515","0.0548","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502868","15.7938","0.0005","9.6819","0.0002","18.2902","0.0005","90","","107.577","0.003","90","","2666.25","0.13","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 F6 I6 N2 -","- C18 H12 F6 I6 N2 -","- C72 H48 F24 I24 N8 -","4","0.5","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0337","0.0228","","","0.0334","0.0343","","","","","","1.013","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502869","12.3666","0.0004","12.5432","0.0004","14.0845","0.0004","83.083","0.002","72.525","0.003","60.817","0.003","1818.51","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Cl2 F4 I2 N2 -","- C13 H14 Cl2 F4 I2 N2 -","- C52 H56 Cl8 F16 I8 N8 -","4","2","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0389","0.0249","","","0.0402","0.0415","","","","","","1.024","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502870","20.2337","0.0009","12.6399","0.0004","22.2082","0.0008","90","","110.871","0.005","90","","5307.1","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 Cl9 F6 I6 N6 -","- C34 H43 Cl9 F6 I6 N6 -","- C136 H172 Cl36 F24 I24 N24 -","4","1","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0513","0.0343","","","0.0725","0.0753","","","","","","1.08","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502871","27.3744","0.0009","7.0166","0.0002","26.3653","0.0009","90","","93.36","0.003","90","","5055.4","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H59 Cl6 F8 I4 N3 O4 -","- C33 H59 Cl6 F8 I4 N3 O4 -","- C132 H236 Cl24 F32 I16 N12 O16 -","4","0.5","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0414","0.0293","","","0.0705","0.0726","","","","","","1.03","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502872","20.2571","0.0003","20.2571","0.0003","25.549","0.0006","90","","90","","120","","9079.4","0.3","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C13 H17 Cl2 F3 I3 N -","- C13 H17 Cl2 F3 I3 N -","- C234 H306 Cl36 F54 I54 N18 -","18","0.5","","Pfrunder, Michael C.; Micallef, Aaron S.; Rintoul, Llewellyn; Arnold, Dennis P.; Davy, Karl J. P.; McMurtrie, John","Exploitation of the Menshutkin Reaction for the Controlled Assembly of Halogen Bonded Architectures Incorporating 1,2-Diiodotetrafluorobenzene and 1,3,5-Triiodotrifluorobenzene","Crystal Growth & Design","2012","12","2","714","","10.1021/cg201017r","","","0.71073","MoKα","","0.0554","0.0305","","","0.0676","0.0713","","","","","","1.054","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502873","9.4638","0.0018","13.389","0.002","13.149","0.003","90","","97.521","0.007","90","","1651.8","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Si2 -","- C40 H42 Si2 -","- C80 H84 Si4 -","2","0.5","","Burke, Kerry B.; Shu, Ying; Kemppinen, Peter; Singh, Birendra; Bown, Mark; Liaw, Irving I.; Williamson, Rachel M.; Thomsen, Lars; Dastoor, Paul; Belcher, Warwick; Forsyth, Craig; Winzenberg, Kevin N.; Collis, Gavin E.","Single Crystal X-ray, AFM, NEXAFS, and OFET Studies on Angular Polycyclic Aromatic Silyl-Capped 7,14-Bis(ethynyl)dibenzo[b,def]chrysenes","Crystal Growth & Design","2012","12","2","725","","10.1021/cg201020w","","","0.71073","MoKα","","0.0563","0.0417","","","0.1145","0.1241","","","","","","1.072","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502874","8.0322","0.0004","8.4306","0.0005","16.3624","0.001","88.66","0.003","81.815","0.003","61.977","0.002","966.93","0.1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H54 Si2 -","- C46 H54 Si2 -","- C46 H54 Si2 -","1","0.5","","Burke, Kerry B.; Shu, Ying; Kemppinen, Peter; Singh, Birendra; Bown, Mark; Liaw, Irving I.; Williamson, Rachel M.; Thomsen, Lars; Dastoor, Paul; Belcher, Warwick; Forsyth, Craig; Winzenberg, Kevin N.; Collis, Gavin E.","Single Crystal X-ray, AFM, NEXAFS, and OFET Studies on Angular Polycyclic Aromatic Silyl-Capped 7,14-Bis(ethynyl)dibenzo[b,def]chrysenes","Crystal Growth & Design","2012","12","2","725","","10.1021/cg201020w","","","0.71073","MoKα","","0.0817","0.0749","","","0.1329","0.1355","","","","","","1.265","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502875","20.5754","0.0014","11.548","0.0008","14.0617","0.001","90","","116.53","0.001","90","","2989.3","0.4","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N6 O6 Zn -","- C28 H32 N6 O6 Zn -","- C112 H128 N24 O24 Zn4 -","4","0.5","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0548","0.0382","","","0.0782","0.0845","","","","","","1.062","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502876","20.4671","0.0011","11.4539","0.0006","14.1389","0.0008","90","","116.195","0.001","90","","2974.1","0.3","187","2","187","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Co N6 O6 -","- C28 H32 Co N6 O6 -","- C112 H128 Co4 N24 O24 -","4","0.5","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0491","0.0389","","","0.1062","0.1132","","","","","","1.077","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502877","17.3468","0.0008","7.2668","0.0003","24.8936","0.0009","90","","111.93","0.002","90","","2910.9","0.2","187","2","187","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H32 Cd N6 O6 -","- C28 H18 Cd N6 O6 -","- C112 H72 Cd4 N24 O24 -","4","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0525","0.0396","","","0.104","0.1121","","","","","","1.042","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502878","12.6318","0.0008","12.8249","0.0008","13.5305","0.0008","79.972","0.001","70.958","0.001","70.014","0.001","1942.4","0.2","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 N7 O7 Zn -","- C37 H22 N7 O7 Zn -","- C74 H44 N14 O14 Zn2 -","2","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.1123","0.0788","","","0.2134","0.2415","","","","","","1.037","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502879","12.6183","0.0006","12.8952","0.0006","13.6128","0.0006","79.381","0.001","70.778","0.001","69.572","0.001","1953.96","0.16","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 Co N7 O7 -","- C37 H22 Co N7 O7 -","- C74 H44 Co2 N14 O14 -","2","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0987","0.0782","","","0.2197","0.2398","","","","","","1.05","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502880","10.1872","0.0005","10.5478","0.0006","14.1089","0.0009","68.113","0.001","73.021","0.001","71.965","0.001","1310.57","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Cd N5 O6 -","- C22 H18 Cd N4 O5 -","- C44 H36 Cd2 N8 O10 -","2","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0509","0.0417","","","0.0957","0.0998","","","","","","1.07","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502881","18.7116","0.0009","10.8977","0.0005","14.6613","0.0007","90","","90","","90","","2989.6","0.2","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C88 H72 N16 O16 Zn4 -","4","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.05","0.0376","","","0.0873","0.0918","","","","","","0.977","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502882","34.7613","0.0014","13.1219","0.0005","27.2378","0.001","90","","105.815","0.001","90","","11953.8","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 N8 O8 Zn2 -","- C44 H36 N8 O8 Zn2 -","- C352 H288 N64 O64 Zn16 -","8","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0716","0.0437","","","0.097","0.1049","","","","","","0.938","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502883","9.5136","0.0008","16.649","0.0014","17.566","0.0015","90","","97.206","0.002","90","","2760.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C88 H72 N16 O16 Zn4 -","4","1","","Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie","Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids","Crystal Growth & Design","2012","12","1","253","","10.1021/cg201025u","","","0.71073","MoKα","","0.0914","0.052","","","0.1075","0.1185","","","","","","0.874","","","","has coordinates","201370","2020-10-21","18:00:00",""
"4502884","7.4114","0.0004","11.5597","0.0006","20.5406","0.0011","87.343","0.004","82.433","0.005","73.09","0.005","1668.98","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Cu2V4O16-2D","","","- C24 H18 Cu2 N4 O22 P3 V4 -","- C24 H18 Cu2 N4 O22 P3 V4 -","- C48 H36 Cu4 N8 O44 P6 V8 -","2","1","","Dey, Chandan; Das, Raja; Poddar, Pankaj; Banerjee, Rahul","Solid Phase Morphological Diversity of a Rare Vanadium Cubane (V4O16) Based Metal Organic Framework","Crystal Growth & Design","2012","12","1","12","","10.1021/cg201030u","","","0.71073","MoKα","","0.071","0.0428","","","0.0941","0.1019","","","","","","0.933","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502885","15.578","0.003","15.578","0.003","16.521","0.003","90","","90","","120","","3472.1","1.1","173","2","173","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C48 H30 O16 Zn3 -","- C48 H30 O16 Zn3 -","- C96 H60 O32 Zn6 -","2","0.166667","","Gao, Qian; Xie, Ya-Bo; Li, Jian-Rong; Yuan, Da-Qiang; Yakovenko, Audrey A.; Sun, Ji-Hong; Zhou, Hong-Cai","Tuning the Formations of Metal‒Organic Frameworks by Modification of Ratio of Reactant, Acidity of Reaction System, and Use of a Secondary Ligand","Crystal Growth & Design","2012","12","1","281","","10.1021/cg201059d","","","0.71073","MoKα","","0.0539","0.0421","","","0.114","0.1195","","","","","","1.063","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502886","15.2766","0.0011","19.701","0.0014","15.5903","0.0011","90","","90","","90","","4692.1","0.6","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 N4 O12 Zn2 -","- C48 H52 N4 O12 Zn2 -","- C192 H208 N16 O48 Zn8 -","4","1","","Gao, Qian; Xie, Ya-Bo; Li, Jian-Rong; Yuan, Da-Qiang; Yakovenko, Audrey A.; Sun, Ji-Hong; Zhou, Hong-Cai","Tuning the Formations of Metal‒Organic Frameworks by Modification of Ratio of Reactant, Acidity of Reaction System, and Use of a Secondary Ligand","Crystal Growth & Design","2012","12","1","281","","10.1021/cg201059d","","","0.71073","MoKα","","0.1019","0.0848","","","0.2133","0.2184","","","","","","1.043","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502887","15.81","0.003","26.422","0.006","16.435","0.004","90","","90","","90","","6865","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65 H55 N5 O14 Zn3 -","- C65 H55 N5 O14 Zn3 -","- C260 H220 N20 O56 Zn12 -","4","1","","Gao, Qian; Xie, Ya-Bo; Li, Jian-Rong; Yuan, Da-Qiang; Yakovenko, Audrey A.; Sun, Ji-Hong; Zhou, Hong-Cai","Tuning the Formations of Metal‒Organic Frameworks by Modification of Ratio of Reactant, Acidity of Reaction System, and Use of a Secondary Ligand","Crystal Growth & Design","2012","12","1","281","","10.1021/cg201059d","","","0.71073","MoKα","","0.1001","0.0635","","","0.1743","0.1883","","","","","","0.97","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502888","15.439","0.007","15.439","0.007","28.034","0.013","90","","90","","90","","6682","5","110","2","110","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C21 H12 N O5 Zn -","- C21 H12 N O5 Zn -","- C168 H96 N8 O40 Zn8 -","8","0.25","","Gao, Qian; Xie, Ya-Bo; Li, Jian-Rong; Yuan, Da-Qiang; Yakovenko, Audrey A.; Sun, Ji-Hong; Zhou, Hong-Cai","Tuning the Formations of Metal‒Organic Frameworks by Modification of Ratio of Reactant, Acidity of Reaction System, and Use of a Secondary Ligand","Crystal Growth & Design","2012","12","1","281","","10.1021/cg201059d","","","0.71073","MoKα","","0.0771","0.0614","","","0.2297","0.2529","","","","","","1.114","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502889","6.8921","0.0006","8.5612","0.0007","18.9507","0.0016","96.295","0.001","98.064","0.001","103.275","0.001","1065.8","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Co N4 O4 -","- C24 H22 Co N4 O4 -","- C48 H44 Co2 N8 O8 -","2","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0635","0.0565","","","0.1341","0.1392","","","","","","1.132","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502890","8.655","0.004","10.949","0.006","23.799","0.012","90","","100.017","0.007","90","","2220.9","1.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 Ni O5 -","- C24 H24 N4 Ni O5 -","- C96 H96 N16 Ni4 O20 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0385","0.0331","","","0.0835","0.0865","","","","","","1.069","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502891","8.37","0.004","10.357","0.005","13.037","0.006","101.575","0.006","90.785","0.006","101.798","0.007","1082","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 Cu N8 O14 -","- C38 H50 Cu N8 O14 -","- C38 H50 Cu N8 O14 -","1","0.5","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0475","0.0433","","","0.1031","0.1057","","","","","","1.083","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502892","9.0096","0.0009","20.558","0.002","9.7353","0.001","90","","100.547","0.002","90","","1772.7","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Co2 N5 O6 -","- C16 H11 Co1.899 N5 O6 -","- C64 H44 Co7.596 N20 O24 -","4","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0781","0.0729","","","0.1893","0.1929","","","","","","1.145","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502893","27.375","0.006","7.277","0.0015","24.644","0.005","90","","106.24","0.03","90","","4713.4","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 Co F6 N2 O4 -","- C24 H15 Co F6 N2 O4 -","- C192 H120 Co8 F48 N16 O32 -","8","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0447","0.0372","","","0.0912","0.0942","","","","","","1.053","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502894","10.122","0.003","12.159","0.004","13.553","0.004","91.707","0.005","109.504","0.005","102.552","0.005","1525.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Co N7 O8 -","- C28 H28 Co N7 O8 -","- C56 H56 Co2 N14 O16 -","2","1","","Tripuramallu, Bharat Kumar; Manna, Paulami; Nagaprasad Reddy, Samala; Das, Samar K.","Factors Affecting the Conformational Modulation of Flexible Ligands in the Self-Assembly Process of Coordination Polymers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies of [Co(pda)(bix)]n, [Ni(pda)(bix)(H2O)]n, [Cu(pda)(bix)2(H2O)2]n·8nH2O, [Co2(μ-OH)(pda)(ptz)]n·nH2O, [Co(hfipbb)(bix)0.5]n, and [Co(2,6-pydc)(bix)1.5]n·4nH2O","Crystal Growth & Design","2012","12","2","777","","10.1021/cg201111r","","","0.71073","MoKα","","0.0804","0.0651","","","0.1456","0.1543","","","","","","1.112","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502895","8.075","0.002","10.153","0.003","11.524","0.003","74.675","0.005","77.784","0.005","70.735","0.005","852.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Ag B F4 N2 O4 -","- C16 H14 Ag B F4 N2 O4 -","- C32 H28 Ag2 B2 F8 N4 O8 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.0257","0.0253","","","0.0675","0.0678","","","","","","1.131","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502896","8.1979","0.0006","10.1452","0.0008","11.5751","0.0009","74.888","0.002","77.195","0.002","70.615","0.002","867.01","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Ag Cl N2 O8 -","- C16 H14 Ag Cl N2 O8 -","- C32 H28 Ag2 Cl2 N4 O16 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.028","0.0264","","","0.0657","0.0665","","","","","","1.092","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502897","16.3714","0.0018","6.4132","0.0007","18.82","0.002","90","","109.452","0.003","90","","1863.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H16 Ag Cl N2 O9 -","- C16 H16 Ag Cl N2 O9 -","- C64 H64 Ag4 Cl4 N8 O36 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.0817","0.0654","","","0.1534","0.1629","","","","","","1.054","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502898","3.6084","0.0007","9.9374","0.0017","12.728","0.002","73.315","0.003","87.944","0.003","84.004","0.003","434.79","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Ag2 N2 O7 -","- C16 H12 Ag2 N2 O7 -","- C16 H12 Ag2 N2 O7 -","1","0.5","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.0368","0.0337","","","0.0916","0.0932","","","","","","1.151","","","","has coordinates,has disorder","179559","2020-10-21","18:00:00",""
"4502899","9.8546","0.0009","11.4723","0.001","6.9163","0.0006","90","","109.346","0.002","90","","737.77","0.11","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag N O2 -","- C8 H6 Ag N O2 -","- C32 H24 Ag4 N4 O8 -","4","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.0502","0.0425","","","0.1027","0.1073","","","","","","1.042","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502900","9.1159","0.0008","9.6256","0.0008","12.3162","0.0011","106.127","0.002","106.549","0.002","99.865","0.002","957.65","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16.5 H18 Ag2 N2 O7.5 -","- C16.5 H18 Ag2 N2 O7.5 -","- C33 H36 Ag4 N4 O15 -","2","1","","Kole, Goutam Kumar; Tan, Geok Kheng; Vittal, Jagadese J.","Photoreactivity of Ag(I) Complexes and Coordination Polymers of Pyridyl Acrylic Acids","Crystal Growth & Design","2012","12","1","326","","10.1021/cg201119c","","","0.71073","MoKα","","0.0387","0.0363","","","0.0882","0.0897","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502901","16.244","0.015","16.73","0.007","8.65","0.003","90","","105.23","0.07","90","","2268","3","288","2","288","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H30 B F4 N3 -","- C22 H30 B F4 N3 -","- C88 H120 B4 F16 N12 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.71073","MoKα","","0.0925","0.0924","","","0.2271","0.2272","","","","","","1.213","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502902","16.693","0.007","16.693","0.007","16.693","0.007","90","","90","","90","","4652","3","200","2","200","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C22 H33 B F4 N3 O -","- C22 H30 B F4 N3 O -","- C176 H240 B8 F32 N24 O8 -","8","0.333333","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.71075","MoKα","","0.1016","0.0601","","","0.1788","0.1948","","","","","","1.053","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502903","11.0984","0.0019","16.579","0.003","13.67","0.003","90","","98.731","0.009","90","","2486.1","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 B F4 N3 -","- C25 H36 B F4 N3 -","- C100 H144 B4 F16 N12 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.7107","MoKα","","0.1026","0.0922","","","0.1963","0.2023","","","","","","1.227","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502904","15.9946","0.0016","9.3589","0.0008","19.3134","0.0014","90","","104.949","0.002","90","","2793.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N7 -","- C34 H34 N7 -","- C136 H136 N28 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.71069","MoKα","","0.1366","0.0749","","","0.1854","0.2226","","","","","","1.029","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502905","16.4664","0.0007","9.8133","0.0004","18.6732","0.0007","90","","104.736","0.001","90","","2918.1","0.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N7 -","- C34 H34 N7 -","- C136 H136 N28 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Yokoyama, Takuji; Nakasuji, Kazuhiro; Morita, Yasushi","Intermolecular Hydrogen-Bond Networks and Physical Properties of BF4‒and TCNQ•‒Salts of Three-Fold Symmetric Tris(alkylamino)phenalenyliums","Crystal Growth & Design","2012","12","2","804","","10.1021/cg201120s","","","0.71069","MoKα","","0.0837","0.0564","","","0.1521","0.1724","","","","","","1.018","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502906","11.2462","0.0017","26.971","0.004","17.23","0.003","90","","103.151","0.002","90","","5089.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 N10 O8.5 S4 -","- C15 H23 N10 O8.5 S4 -","- C120 H184 N80 O68 S32 -","8","2","","Arenas-García, Jenniffer I.; Herrera-Ruiz, Dea; Mondragón-Vásquez, Karina; Morales-Rojas, Hugo; Höpfl, Herbert","Modification of the Supramolecular Hydrogen-Bonding Patterns of Acetazolamide in the Presence of Different Cocrystal Formers: 3:1, 2:1, 1:1, and 1:2 Cocrystals from Screening with the Structural Isomers of Hydroxybenzoic Acids, Aminobenzoic Acids, Hydroxybenzamides, Aminobenzamides, Nicotinic Acids, Nicotinamides, and 2,3-Dihydroxybenzoic Acids","Crystal Growth & Design","2012","12","2","811","824","10.1021/cg201140g","","","0.71073","MoKα","","0.084","0.0513","","","0.1123","0.126","","","","","","1.026","","","","has coordinates","211130","2020-10-21","18:00:00",""
"4502907","8.82","0.0008","9.1977","0.0008","14.8854","0.0014","95.872","0.002","100.119","0.002","102.197","0.002","1149.68","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N9 O8 S4 -","- C15 H19 N9 O8 S4 -","- C30 H38 N18 O16 S8 -","2","1","","Arenas-García, Jenniffer I.; Herrera-Ruiz, Dea; Mondragón-Vásquez, Karina; Morales-Rojas, Hugo; Höpfl, Herbert","Modification of the Supramolecular Hydrogen-Bonding Patterns of Acetazolamide in the Presence of Different Cocrystal Formers: 3:1, 2:1, 1:1, and 1:2 Cocrystals from Screening with the Structural Isomers of Hydroxybenzoic Acids, Aminobenzoic Acids, Hydroxybenzamides, Aminobenzamides, Nicotinic Acids, Nicotinamides, and 2,3-Dihydroxybenzoic Acids","Crystal Growth & Design","2012","12","2","811","824","10.1021/cg201140g","","","0.71073","MoKα","","0.0753","0.0679","","","0.1386","0.142","","","","","","1.292","","","","has coordinates","211130","2020-10-21","18:00:00",""
"4502908","9.763","0.003","14.434","0.004","22.839","0.007","90","","94.942","0.006","90","","3206.5","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N12 O13 S6 -","- C19 H24 N12 O13 S6 -","- C76 H96 N48 O52 S24 -","4","1","","Arenas-García, Jenniffer I.; Herrera-Ruiz, Dea; Mondragón-Vásquez, Karina; Morales-Rojas, Hugo; Höpfl, Herbert","Modification of the Supramolecular Hydrogen-Bonding Patterns of Acetazolamide in the Presence of Different Cocrystal Formers: 3:1, 2:1, 1:1, and 1:2 Cocrystals from Screening with the Structural Isomers of Hydroxybenzoic Acids, Aminobenzoic Acids, Hydroxybenzamides, Aminobenzamides, Nicotinic Acids, Nicotinamides, and 2,3-Dihydroxybenzoic Acids","Crystal Growth & Design","2012","12","2","811","824","10.1021/cg201140g","","","0.71073","MoKα","","0.117","0.063","","","0.1134","0.1373","","","","","","1.017","","","","has coordinates","211130","2020-10-21","18:00:00",""
"4502909","8.6156","0.0012","10.4253","0.0014","11.6675","0.0016","79.91","0.002","86.334","0.002","88.606","0.002","1029.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N8 O5 S2 -","- C16 H18 N8 O5 S2 -","- C32 H36 N16 O10 S4 -","2","1","","Arenas-García, Jenniffer I.; Herrera-Ruiz, Dea; Mondragón-Vásquez, Karina; Morales-Rojas, Hugo; Höpfl, Herbert","Modification of the Supramolecular Hydrogen-Bonding Patterns of Acetazolamide in the Presence of Different Cocrystal Formers: 3:1, 2:1, 1:1, and 1:2 Cocrystals from Screening with the Structural Isomers of Hydroxybenzoic Acids, Aminobenzoic Acids, Hydroxybenzamides, Aminobenzamides, Nicotinic Acids, Nicotinamides, and 2,3-Dihydroxybenzoic Acids","Crystal Growth & Design","2012","12","2","811","824","10.1021/cg201140g","","","0.71073","MoKα","","0.0783","0.068","","","0.143","0.1475","","","","","","1.28","","","","has coordinates","211130","2020-10-21","18:00:00",""
"4502910","18.883","0.003","14.49","0.0008","14.237","0.004","90","","125.3","0.03","90","","3179.2","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H34 N2 O16 Zn -","- C28 H34 N2 O16 Zn -","- C112 H136 N8 O64 Zn4 -","4","0.5","","Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen","pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers","Crystal Growth & Design","2012","12","1","333","","10.1021/cg201143f","","","0.71073","MoKα","","0.0515","0.0393","","","0.1098","0.1143","","","","","","0.915","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502911","13.8606","0.0004","16.9142","0.0005","18.1588","0.0005","112.895","0.003","96.84","0.002","101.84","0.002","3743.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C148 H116 N14 O47 Zn8 -","- C148 H116 N14 O47 Zn8 -","- C148 H116 N14 O47 Zn8 -","1","0.5","","Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen","pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers","Crystal Growth & Design","2012","12","1","333","","10.1021/cg201143f","","","0.71073","MoKα","","0.0815","0.0604","","","0.1857","0.196","","","","","","1.038","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502912","21.0705","0.0005","18.4633","0.0005","12.0995","0.0003","90","","103.461","0.003","90","","4577.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H60 N8 O27 Zn4 -","- C80 H60 N8 O27 Zn4 -","- C160 H120 N16 O54 Zn8 -","2","0.25","","Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen","pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers","Crystal Growth & Design","2012","12","1","333","","10.1021/cg201143f","","","0.71073","MoKα","","0.0654","0.0505","","","0.1526","0.157","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502913","27.8969","0.0013","7.5757","0.0002","21.3408","0.0009","90","","118.087","0.006","90","","3979","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 N O9 Zn2 -","- C22 H12 N O9 Zn2 -","- C176 H96 N8 O72 Zn16 -","8","1","","Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen","pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers","Crystal Growth & Design","2012","12","1","333","","10.1021/cg201143f","","","0.71073","MoKα","","0.0494","0.0338","","","0.0992","0.1037","","","","","","0.884","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502914","9.5741","0.0008","11.4403","0.0014","25.674","0.003","90","","90","","90","","2812.1","0.5","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H22 N2 O11 Zn2 -","- C28 H22 N2 O11 Zn2 -","- C112 H88 N8 O44 Zn8 -","4","0.5","","Yang, Jin-Xia; Zhang, Xin; Cheng, Jian-Kai; Zhang, Jian; Yao, Yuan-Gen","pH Influence on the Structural Variations of 4,4′-Oxydiphthalate Coordination Polymers","Crystal Growth & Design","2012","12","1","333","","10.1021/cg201143f","","","0.71073","MoKα","","0.0611","0.0562","","","0.1348","0.1366","","","","","","1.192","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502915","8.251","0.002","11.315","0.002","16.222","0.004","90","","101.949","0.006","90","","1481.7","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag N5 O3 -","- C14 H12 Ag N5 O3 -","- C56 H48 Ag4 N20 O12 -","4","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Controlled Assembly of Silver(I)/Aminobenzonitrile Compounds: Syntheses, Crystal Structures, and Photoluminescence Properties","Crystal Growth & Design","2012","12","1","354","","10.1021/cg201159z","","","0.71073","MoKα","","0.0285","0.0275","","","0.0632","0.064","","","","","","1.138","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502916","11.632","0.002","7.5766","0.0015","25.228","0.005","90","","97.1","0.03","90","","2206.3","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Ag2 Cl2 N12 O8 S0 -","- C42 H36 Ag2 Cl2 N12 O8 -","- C84 H72 Ag4 Cl4 N24 O16 -","2","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Controlled Assembly of Silver(I)/Aminobenzonitrile Compounds: Syntheses, Crystal Structures, and Photoluminescence Properties","Crystal Growth & Design","2012","12","1","354","","10.1021/cg201159z","","","0.71073","MoKα","","0.0618","0.0396","","","0.0799","0.0935","","","","","","1.086","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502917","7.889","0.002","5.7444","0.0017","16.373","0.005","90","","101.986","0.006","90","","725.8","0.4","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H12 Ag N5 O3 -","- C14 H12 Ag N5 O3 -","- C28 H24 Ag2 N10 O6 -","2","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Controlled Assembly of Silver(I)/Aminobenzonitrile Compounds: Syntheses, Crystal Structures, and Photoluminescence Properties","Crystal Growth & Design","2012","12","1","354","","10.1021/cg201159z","","","0.71073","MoKα","","0.0329","0.0316","","","0.0759","0.0769","","","","","","1.143","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502918","8.2396","0.0007","5.8279","0.0003","17.5896","0.001","90","","96.827","0.003","90","","838.66","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Ag N3 O2 -","- C7 H6 Ag N3 O2 -","- C28 H24 Ag4 N12 O8 -","4","1","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Controlled Assembly of Silver(I)/Aminobenzonitrile Compounds: Syntheses, Crystal Structures, and Photoluminescence Properties","Crystal Growth & Design","2012","12","1","354","","10.1021/cg201159z","","","0.71073","MoKα","","0.0962","0.0488","","","0.0965","0.1607","","","","","","1.158","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502919","9.6802","0.0019","16.899","0.003","10.494","0.002","90","","91.02","0.03","90","","1716.4","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ag F6 N4 P -","- C14 H12 Ag F6 N4 P -","- C56 H48 Ag4 F24 N16 P4 -","4","0.5","","Liu, Fu-Jing; Sun, Di; Hao, Hong-Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Anion-Controlled Assembly of Silver(I)/Aminobenzonitrile Compounds: Syntheses, Crystal Structures, and Photoluminescence Properties","Crystal Growth & Design","2012","12","1","354","","10.1021/cg201159z","","","0.71073","MoKα","","0.0283","0.0221","","","0.0513","0.0541","","","","","","1.092","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502920","11.2074","0.0002","15.8342","0.0004","16.8635","0.0003","90","","90.554","0.001","90","","2992.46","0.11","123","0.1","123","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 Cl I2 P2 Pd -","- C24 H43 Cl I2 P2 Pd -","- C96 H172 Cl4 I8 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","Mokα","","0.0295","0.0257","","","0.068","0.076","","","","","","1.057","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502921","15.9789","0.0004","17.4537","0.0005","12.7454","0.0003","90","","91.485","0.002","90","","3553.38","0.16","123","0.1","123","0.1","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H43 Cl F4 I2 P2 Pd -","- C30 H43 Cl F4 I2 P2 Pd -","- C120 H172 Cl4 F16 I8 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","Mokα","","0.0595","0.05","","","0.1202","0.1245","","","","","","1.071","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502922","11.2641","0.0003","15.8359","0.0005","17.0352","0.0005","90","","90.879","0.002","90","","3038.33","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 Br I2 P2 Pd -","- C24 H43 Br I2 P2 Pd -","- C96 H172 Br4 I8 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","MoKα","","0.076","0.0505","","","0.0942","0.1023","","","","","","1.094","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502923","17.1567","0.0006","13.1863","0.0006","15.6856","0.0007","90","","93.978","0.002","90","","3540.1","0.3","123","0.1","123","0.1","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H43 Br F4 I2 P2 Pd -","- C30 H43 Br F4 I2 P2 Pd -","- C120 H172 Br4 F16 I8 P8 Pd4 -","4","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","MoKα","","0.0348","0.0282","","","0.0622","0.0646","","","","","","1.032","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502924","15.6991","0.0005","13.8991","0.0006","17.1536","0.0007","90","","90.968","0.002","90","","3742.4","0.3","123","0.1","123","0.1","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H43 Br F8 I2 P2 Pd -","- C28 H43 Br F8 I2 P2 Pd -","- C112 H172 Br4 F32 I8 P8 Pd4 -","4","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","MoKα","","0.0481","0.0367","","","0.0755","0.0798","","","","","","1.073","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502925","10.3069","0.0004","26.4128","0.0009","11.3538","0.0004","90","","102.766","0.002","90","","3014.49","0.19","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 I3 P2 Pd -","- C24 H43 I3 P2 Pd -","- C96 H172 I12 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Wendt, Ola F.; Ohrström, Lars; Rissanen, Kari","Neutral Organometallic Halogen Bond Acceptors: Halogen Bonding in Complexes of PCPPdX (X = Cl, Br, I) with Iodine (I(2)), 1,4-Diiodotetrafluorobenzene (F4DIBz), and 1,4-Diiodooctafluorobutane (F8DIBu).","Crystal growth & design","2012","12","1","362","368","10.1021/cg201170w","","x-ray","0.71073","MoKα","","0.0392","0.0316","","","0.0914","0.112","","","","","","1.052","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502926","10.9354","0.0002","5.6281","0.0001","16.6297","0.0003","90","","102.973","0.002","90","","997.36","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-bromo-2-[(aminopropyl)methyl]-phenol","","- C10 H14 Br N O -","- C10 H14 Br N O -","- C40 H56 Br4 N4 O4 -","4","1","","Kołodziejczak, Jerzy; Adamczyk-Woźniak, Agnieszka; Hachuła, Barbara; Barys, Maciej; Flakus, Henryk T.; Sporzyński, Andrzej; Koll, Aleksander","Intermolecular Interactions in the Solid State of Ionic Secondary Mannich Bases","Crystal Growth & Design","2012","12","2","589","","10.1021/cg201179x","","","0.71073","MoKα","","0.0276","0.0187","","","0.0423","0.0458","","","","","","1.036","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502927","5.391","0.0003","9.6335","0.0005","10.2582","0.0006","73.516","0.005","87.835","0.004","82.886","0.004","506.92","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4-nitro-2-[(aminopropyl)methyl]-phenol","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C20 H28 N4 O6 -","2","1","","Kołodziejczak, Jerzy; Adamczyk-Woźniak, Agnieszka; Hachuła, Barbara; Barys, Maciej; Flakus, Henryk T.; Sporzyński, Andrzej; Koll, Aleksander","Intermolecular Interactions in the Solid State of Ionic Secondary Mannich Bases","Crystal Growth & Design","2012","12","2","589","","10.1021/cg201179x","","","0.71073","MoKα","","0.0405","0.0338","","","0.0905","0.0955","","","","","","1.041","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502928","10.506","0.007","11.575","0.008","12.026","0.008","82.328","0.014","77.199","0.014","83.932","0.013","1408.9","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Ag2 F6 N8 O6 S2 -","- C20 H14 Ag2 F6 N8 O6 S2 -","- C40 H28 Ag4 F12 N16 O12 S4 -","2","1","","Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua","Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes","Crystal Growth & Design","2012","12","1","376","","10.1021/cg201184x","","","0.71073","MoKα","","0.0518","0.0404","","","0.1094","0.119","","","","","","1.026","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502929","15.692","0.008","16.14","0.008","20.812","0.011","92.159","0.011","97.23","0.011","118.277","0.009","4576","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H43 Ag6 F18 N24 O21.5 S12 -","- C54 H36 Ag6 F18 N24 O21.5 S12 -","- C108 H72 Ag12 F36 N48 O43 S24 -","2","1","","Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua","Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes","Crystal Growth & Design","2012","12","1","376","","10.1021/cg201184x","","","0.71073","MoKα","","0.0865","0.0486","","","0.1215","0.151","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502930","12.429","0.005","16.447","0.007","10.574","0.005","90","","93.629","0.008","90","","2157.2","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Ag2 F10 N4 O4 S -","- C14 H6 Ag2 F10 N4 O4 S -","- C56 H24 Ag8 F40 N16 O16 S4 -","4","1","","Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua","Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes","Crystal Growth & Design","2012","12","1","376","","10.1021/cg201184x","","","0.71073","MoKα","","0.1857","0.0866","","","0.2054","0.2887","","","","","","1.084","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502931","6.4342","0.0002","7.9231","0.0003","21.6589","0.0008","90","","90","","90","","1104.14","0.07","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Ag N5 O3 S -","- C8 H6 Ag N5 O3 S -","- C32 H24 Ag4 N20 O12 S4 -","4","1","","Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua","Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes","Crystal Growth & Design","2012","12","1","376","","10.1021/cg201184x","","","0.71073","MoKα","","0.0236","0.0217","","","0.0512","0.0521","","","","","","1.053","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502932","11.9403","0.0004","12.0036","0.0003","15.6419","0.0004","69.201","0.002","70.396","0.002","79.961","0.002","1970.44","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Ag3 Cl3 N12 O12 S3 -","- C24 H18 Ag3 Cl3 N12 O12 S3 -","- C48 H36 Ag6 Cl6 N24 O24 S6 -","2","1","","Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua","Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes","Crystal Growth & Design","2012","12","1","376","","10.1021/cg201184x","","","0.71073","MoKα","","0.1138","0.0882","","","0.2015","0.2137","","","","","","1.118","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502933","9.577","0.001","13.027","0.002","16.796","0.002","89.144","0.002","85.349","0.002","81.51","0.002","2065.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Cl2 N2 O8 Pt -","- C42 H42 Cl2 N2 O8 Pt -","- C84 H84 Cl4 N4 O16 Pt2 -","2","1","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0855","0.0497","","","0.1094","0.1335","","","","","","1.153","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502934","13.526","0.001","15.172","0.001","17.955","0.001","79.538","0.001","71.919","0.001","86.574","0.001","3444.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H30.5 Cl3.5 N2 O2 Pt -","- C36.5 H30.5 Cl3.5 N2 O2 Pt -","- C146 H122 Cl14 N8 O8 Pt4 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0744","0.037","","","0.0711","0.0773","","","","","","0.846","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502935","13.5935","0.0019","14.7377","0.0015","17.68","0.003","90","","98.757","0.011","90","","3500.7","0.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C39 H36 Cl2 N2 O3 Pt -","- C39 H36 Cl2 N2 O3 Pt -","- C156 H144 Cl8 N8 O12 Pt4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0864","0.0579","","","0.1355","0.1501","","","","","","1.005","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502936","13.83","0.04","14.24","0.04","17.57","0.06","81.27","0.06","80.12","0.05","89.1","0.1","3369","18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl2 N2 O2 Pt -","- C36 H30 Cl2 N2 O2 Pt -","- C144 H120 Cl8 N8 O8 Pt4 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.256","0.1906","","","0.4532","0.517","","","","","","2.151","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502937","9.576","0.002","13.448","0.004","17.558","0.005","96.543","0.003","80.661","0.003","78.431","0.003","2160.5","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl2 N2 O4.5 Pt -","- C46 H50 Cl2 N2 O4.5 Pt -","- C92 H100 Cl4 N4 O9 Pt2 -","2","1","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0932","0.0392","","","0.0719","0.0939","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502938","20.256","0.002","8.335","0.001","21.056","0.002","90","","93.515","0.002","90","","3548.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 Cl2 N2 O3 Pt -","- C38 H38 Cl2 N2 O4 Pt -","- C152 H152 Cl8 N8 O16 Pt4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0397","0.0242","","","0.0427","0.0449","","","","","","0.865","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502939","13.822","0.001","14.991","0.001","17.094","0.001","78.33","0.001","71.749","0.001","85.893","0.001","3294.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H34 Cl2 N2 O3 Pt -","- C37 H34 Cl2 N2 O3 Pt -","- C148 H136 Cl8 N8 O12 Pt4 -","4","2","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0344","0.024","","","0.0537","0.056","","","","","","0.964","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502940","9.3556","0.0008","10.5786","0.0009","24.03","0.02","90","","97.3","0.001","90","","2359","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cl2 N2 O6 Pt S4 -","- C44 H54 Cl2 N2 O6 Pt S4 -","- C88 H108 Cl4 N4 O12 Pt2 S8 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0596","0.0364","","","0.0927","0.1004","","","","","","0.967","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502941","7.672","0.002","18.482","0.004","14.479","0.003","90","","106.31","0.01","90","","1970.4","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Cl2 N2 O4 Pt S2 -","- C40 H42 Cl2 N2 O4 Pt S2 -","- C80 H84 Cl4 N4 O8 Pt2 S4 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0363","0.0237","","","0.0646","0.0682","","","","","","1.004","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502942","10.718","0.001","17.391","0.002","16.807","0.002","90","","95.796","0.002","90","","3116.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 N2 O2 Pt -","- C36 H30 Cl2 N2 O2 Pt -","- C144 H120 Cl8 N8 O8 Pt4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.0431","0.0312","","","0.076","0.0792","","","","","","1.006","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502943","7.288","0.001","18.572","0.003","14.618","0.002","90","","104.342","0.002","90","","1916.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cl2 N2 O4 Pt -","- C42 H42 Cl2 N2 O4 Pt -","- C84 H84 Cl4 N4 O8 Pt2 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Pelagatti, Paolo; Rispoli, Gabriele; Rogolino, Dominga","Supramolecular Architectures of Pt(II) Complexes Controlled by Hydrogen Bonds and by Guest Molecules","Crystal Growth & Design","2012","12","1","387","","10.1021/cg201185c","","","0.71073","MoKα","","0.2433","0.236","","","0.5499","0.5525","","","","","","1.32","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502944","10.26101","0.00005","11.1001","0.0005","11.4935","0.0005","90","","112.864","0.0013","90","","1206.23","0.08","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Mostovich, Evgeny A.; Borozdina, Yulia; Enkelmann, Volker; Remović-Langer, Katarina; Wolf, Bernd; Lang, Michael; Baumgarten, Martin","Planar Biphenyl-Bridged Biradicals as Building Blocks for the Design of Quantum Magnets","Crystal Growth & Design","2012","12","1","54","","10.1021/cg201224g","","","0.71073","MoKα","","0.0618","0.061","","0.0571","0.0565","0.0571","","","","","","0.8569","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502945","9.3251","0.0013","9.5489","0.0015","17.906","0.002","90","","90.793","0.01","90","","1594.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Bis(para-aminobenzonitrile)silver(I)-nitrate","","","- C14 H12 Ag N5 O3 -","- C14 H12 Ag N5 O3 -","- C56 H48 Ag4 N20 O12 -","4","1","","Lamann-Glees, Alexandra; Ruschewitz, Uwe","Effect of Counteranions in Self-Assembled Silver(I)-Coordination Polymers of 4-Aminobenzonitrile","Crystal Growth & Design","2012","12","2","854","","10.1021/cg201244y","","","0.71073","MoKα","","0.0738","0.0439","","","0.1086","0.1189","","","","","","1.089","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502946","9.575","0.0009","10.113","0.0015","18.4699","0.0015","90","","91.067","0.011","90","","1788.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(para-aminobenzonitrile)silver(I)-hexafluorophosphate","Bis(para-aminobenzonitrile)silver(I)-hexafluorophospahte","","- C14 H12 Ag F6 N4 P -","- C14 H12 Ag F6 N4 P -","- C56 H48 Ag4 F24 N16 P4 -","4","1","","Lamann-Glees, Alexandra; Ruschewitz, Uwe","Effect of Counteranions in Self-Assembled Silver(I)-Coordination Polymers of 4-Aminobenzonitrile","Crystal Growth & Design","2012","12","2","854","","10.1021/cg201244y","","","0.71073","MoKα","","0.081","0.0453","","","0.1189","0.133","","","","","","0.968","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502947","9.3563","0.0017","9.8376","0.001","18.38","0.003","90","","91.128","0.013","90","","1691.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bis(para-aminobenzonitrile)silver(I)-perchlorate","Bis(para-aminobenzonitrile)silver(I)-perchlorate","","- C14 H12 Ag Cl N4 O4 -","- C14 H12 Ag Cl N4 O4 -","- C56 H48 Ag4 Cl4 N16 O16 -","4","1","","Lamann-Glees, Alexandra; Ruschewitz, Uwe","Effect of Counteranions in Self-Assembled Silver(I)-Coordination Polymers of 4-Aminobenzonitrile","Crystal Growth & Design","2012","12","2","854","","10.1021/cg201244y","","","0.71073","MoKα","","0.1283","0.0492","","","0.115","0.1478","","","","","","0.835","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502948","9.9223","0.0017","10.079","0.0017","10.9222","0.0018","111.266","0.018","111.231","0.018","90.15","0.02","937.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Bis(para-aminobenzonitrile)silver(I)-methanesulfonate","Bis(para-aminobenzonitrile)silver(I)-methanesulfonate","","- C15 H12 Ag F3 N4 O3 S -","- C15 H12 Ag F3 N4 O3 S -","- C30 H24 Ag2 F6 N8 O6 S2 -","2","1","","Lamann-Glees, Alexandra; Ruschewitz, Uwe","Effect of Counteranions in Self-Assembled Silver(I)-Coordination Polymers of 4-Aminobenzonitrile","Crystal Growth & Design","2012","12","2","854","","10.1021/cg201244y","","","0.71073","MoKα","","0.0619","0.0511","","","0.1549","0.1621","","","","","","1.321","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502949","11.186","0.002","11.898","0.002","16.009","0.003","90","","109.868","0.002","90","","2003.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cd N2 O4 -","- C23 H22 Cd N2 O4 -","- C92 H88 Cd4 N8 O16 -","4","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.0452","0.0416","","","0.1083","0.1115","","","","","","1.076","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502950","8.9897","0.0018","12.395","0.003","12.752","0.003","100.836","0.003","95.33","0.003","111.089","0.003","1282","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cd N2 O6 -","- C26 H32 Cd N2 O6 -","- C52 H64 Cd2 N4 O12 -","2","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.0838","0.054","","","0.1245","0.1659","","","","","","1.144","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502951","8.6902","0.0016","13.818","0.003","15.034","0.003","87.335","0.004","78.874","0.004","87.676","0.004","1768.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H20 Cd F6 N2 O4 -","- C33 H20 Cd F6 N2 O4 -","- C66 H40 Cd2 F12 N4 O8 -","2","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.0782","0.0449","","","0.0812","0.084","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502952","15.639","0.002","27.036","0.002","16.7178","0.0018","90","","112.05","0.003","90","","6551.5","1.2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H86 Co4 N8 O27 S4 -","- C120 H86 Co4 N8 O27 S4 -","- C240 H172 Co8 N16 O54 S8 -","2","0.25","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.0611","0.0529","","","0.1565","0.1642","","","","","","1.014","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502953","15.51","0.002","15.517","0.002","19.962","0.003","98.381","0.003","93.697","0.003","117.22","0.002","4179.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H58 N6 Ni2 O15 S2 -","- C76 H58 N6 Ni2 O15 S2 -","- C152 H116 N12 Ni4 O30 S4 -","2","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.1244","0.0589","","","0.1435","0.1701","","","","","","1.051","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502954","11.656","0.001","15.5098","0.0014","12.8107","0.0011","90","","108.723","0.002","90","","2193.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Co N2 O7 -","- C25 H18 Co N2 O7 -","- C100 H72 Co4 N8 O28 -","4","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Effect of Carboxylate Coligands with Different Rigidity on Supramolecular Architectures Based on One Rigid Didentate Linear Ligand","Crystal Growth & Design","2012","12","1","403","","10.1021/cg2012638","","","0.71073","MoKα","","0.0582","0.0498","","","0.1224","0.129","","","","","","1.055","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4502955","5.5072","0.0004","17.1769","0.0012","21.103","0.0016","90","","90","","90","","1996.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Kumar, Pankaj; Haldar, Debasish","Conformational Heterogeneity, Self-Assembly, and Gas Adsorption Studies of Isomeric Hybrid Peptides","Crystal Growth & Design","2012","12","1","422","","10.1021/cg201268x","","","0.71073","MoKα","","0.0732","0.0438","","","0.078","0.0874","","","","","","1.06","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502956","10.578","0.004","11.874","0.005","32.517","0.013","90","","94.152","0.007","90","","4074","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C168 H192 N16 O40 -","8","4","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Kumar, Pankaj; Haldar, Debasish","Conformational Heterogeneity, Self-Assembly, and Gas Adsorption Studies of Isomeric Hybrid Peptides","Crystal Growth & Design","2012","12","1","422","","10.1021/cg201268x","","","0.71073","MoKα","","0.1725","0.088","","","0.1972","0.2402","","","","","","1.027","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502957","9.4118","0.0008","22.0408","0.0019","11.9009","0.001","90","","109.246","0.003","90","","2330.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","2","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Kumar, Pankaj; Haldar, Debasish","Conformational Heterogeneity, Self-Assembly, and Gas Adsorption Studies of Isomeric Hybrid Peptides","Crystal Growth & Design","2012","12","1","422","","10.1021/cg201268x","","","0.71073","MoKα","","0.0888","0.0473","","","0.1194","0.1509","","","","","","0.811","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502958","13.2695","0.0005","13.0089","0.0004","14.3873","0.0006","90","","109.572","0.004","90","","2340.06","0.16","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C120 H96 N16 -","8","2","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0446","0.0359","","","0.0956","0.0983","","","","","","1.055","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502959","11.46351","0.00019","8.90996","0.00015","12.0381","0.0002","90","","93.784","0.0017","90","","1226.88","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0434","0.0363","","","0.0942","0.0968","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502960","9.7672","0.0005","14.0066","0.0007","21.7244","0.001","90","","98.867","0.004","90","","2936.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 Co N4 -","- C32 H28 Cl2 Co N4 -","- C128 H112 Cl8 Co4 N16 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0525","0.0304","","","0.0646","0.0664","","","","","","0.942","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502961","9.6396","0.0003","12.3915","0.0004","24.7653","0.0008","90","","91.696","0.003","90","","2956.9","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 Co N4 -","- C32 H28 Cl2 Co N4 -","- C128 H112 Cl8 Co4 N16 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0433","0.0281","","","0.0649","0.0661","","","","","","0.981","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502962","28.6528","0.0013","28.6528","0.0013","14.0756","0.0007","90","","90","","90","","11555.8","0.9","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Br2 Co N4 -","- C32 H28 Br2 Co N4 -","- C512 H448 Br32 Co16 N64 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.053","0.0302","","","0.0418","0.0435","","","","","","0.882","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502963","29.0776","0.0004","29.0776","0.0004","14.2124","0.0003","90","","90","","90","","12016.7","0.3","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Co I2 N4 -","- C32 H28 Co I2 N4 -","- C512 H448 Co16 I32 N64 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0325","0.0297","","","0.0665","0.0686","","","","","","1.053","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502964","28.4928","0.0007","28.4928","0.0007","14.1575","0.0005","90","","90","","90","","11493.6","0.6","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Co N6 O4 -","- C32 H28 Co N6 O4 -","- C512 H448 Co16 N96 O64 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0464","0.0332","","","0.065","0.0675","","","","","","1.018","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502965","25.1956","0.0007","17.7799","0.0005","13.5452","0.0004","90","","103.003","0.003","90","","5912.3","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65.26 H62.52 Cl2 Co N8 O10 -","- C65.26 H62.52 Cl2 Co N8 O10 -","- C261.04 H250.08 Cl8 Co4 N32 O40 -","4","0.5","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0947","0.0474","","","0.0912","0.0974","","","","","","0.942","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502966","9.3142","0.0007","12.3652","0.0008","15.244","0.0007","83.582","0.005","88.587","0.005","82.464","0.006","1729.52","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cl6 Co N4 O -","- C32 H30 Cl6 Co N4 O -","- C64 H60 Cl12 Co2 N8 O2 -","2","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0827","0.0452","","","0.0834","0.0914","","","","","","0.943","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502967","16.3578","0.0007","9.8345","0.0004","19.5282","0.0008","90","","104.983","0.004","90","","3034.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Br2 Cl2 Co N4 -","- C31 H26 Br2 Cl2 Co N4 -","- C124 H104 Br8 Cl8 Co4 N16 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0465","0.0282","","","0.048","0.0494","","","","","","0.903","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502968","23.9011","0.0008","13.6947","0.0005","28.7631","0.0012","90","","92.381","0.005","90","","9406.6","0.6","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C45 H36 Co I2 N6 -","- C45 H36 Co I2 N6 -","- C360 H288 Co8 I16 N48 -","8","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0556","0.0356","","","0.087","0.0931","","","","","","0.996","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502969","12.1557","0.0004","16.6468","0.0005","13.5929","0.0004","90","","94.219","0.003","90","","2743.12","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Co N6 O6 -","- C30 H24 Co N6 O6 -","- C120 H96 Co4 N24 O24 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","1.5418","CuKα","","0.0605","0.0558","","","0.1453","0.1479","","","","","","1.065","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502970","12.0949","0.0003","24.0933","0.0005","22.5656","0.0006","90","","91.383","0.002","90","","6573.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65.1 H60.2 Cl2 Co N8 O10.7 -","- C65.1 H60.2 Cl2 Co N8 O10.7 -","- C260.4 H240.8 Cl8 Co4 N32 O42.8 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0717","0.0508","","","0.146","0.1536","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502971","9.7848","0.0003","14.0339","0.0004","21.6551","0.0007","90","","98.583","0.003","90","","2940.35","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 N4 Zn -","- C32 H28 Cl2 N4 Zn -","- C128 H112 Cl8 N16 Zn4 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0416","0.0282","","","0.072","0.0744","","","","","","1.054","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502972","9.6576","0.0002","12.37","0.0002","24.7293","0.0003","90","","91.985","0.002","90","","2952.5","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 N4 Zn -","- C32 H28 Cl2 N4 Zn -","- C128 H112 Cl8 N16 Zn4 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0396","0.0279","","","0.0734","0.0758","","","","","","1.013","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502973","28.6569","0.0004","28.6569","0.0004","14.1002","0.0002","90","","90","","90","","11579.3","0.3","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 Br2 N4 Zn -","- C32 H28 Br2 N4 Zn -","- C512 H448 Br32 N64 Zn16 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0411","0.0336","","","0.0695","0.071","","","","","","0.985","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502974","29.0876","0.0003","29.0876","0.0003","14.2312","0.0003","90","","90","","90","","12040.9","0.3","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 I2 N4 Zn -","- C32 H28 I2 N4 Zn -","- C512 H448 I32 N64 Zn16 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0267","0.0239","","","0.0529","0.0548","","","","","","1.018","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502975","28.4382","0.0005","28.4382","0.0005","14.2749","0.0004","90","","90","","90","","11544.6","0.4","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C32 H28 N6 O4 Zn -","- C32 H28 N6 O4 Zn -","- C512 H448 N96 O64 Zn16 -","16","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0416","0.035","","","0.0861","0.0875","","","","","","1.07","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502976","13.6132","0.0003","21.9563","0.0004","22.3675","0.0004","67.168","0.0018","89.2664","0.0015","75.9662","0.0017","5953","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H62 Cl2 N8 O9 Zn -","- C67 H62 Cl2 N8 O9 Zn -","- C268 H248 Cl8 N32 O36 Zn4 -","4","2","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.1033","0.0405","","","0.0514","0.056","","","","","","0.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502977","12.4444","0.0005","14.5245","0.0005","16.6375","0.0005","73.575","0.003","86.395","0.003","79.006","0.003","2831.42","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 Cl2 N4 O Zn -","- C30 H26 Cl2 N4 O Zn -","- C120 H104 Cl8 N16 O4 Zn4 -","4","2","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0614","0.0386","","","0.0969","0.1016","","","","","","0.982","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502978","16.325","0.0008","9.8402","0.0006","19.4897","0.001","90","","105.113","0.005","90","","3022.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Br2 Cl2 N4 Zn -","- C31 H26 Br2 Cl2 N4 Zn -","- C124 H104 Br8 Cl8 N16 Zn4 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.0679","0.0369","","","0.0578","0.0646","","","","","","0.902","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502979","12.1497","0.0011","16.6547","0.0017","13.6381","0.0013","90","","94.134","0.009","90","","2752.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N6 O6 Zn -","- C30 H24 N6 O6 Zn -","- C120 H96 N24 O24 Zn4 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","0.71073","MoKα","","0.1196","0.0772","","","0.1809","0.1928","","","","","","1.066","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502980","12.7797","0.0003","12.0442","0.0003","44.9891","0.0011","90","","91.257","0.002","90","","6923.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Cl8 N8 O11 Zn -","- C66 H64 Cl8 N8 O11 Zn -","- C264 H256 Cl32 N32 O44 Zn4 -","4","1","","Kounavi, Konstantina A.; Manos, Manolis J.; Moushi, Eleni E.; Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios","A Systematic Evaluation of the Interplay of Weak and Strong Supramolecular Interactions in a Series of Co(II) and Zn(II) Complexes Tuned by Ligand Modification","Crystal Growth & Design","2012","12","1","429","","10.1021/cg201271p","","","1.54184","CuKα","","0.0784","0.0665","","","0.1632","0.1685","","","","","","1.075","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502981","25.8521","0.0015","9.7306","0.0007","13.3763","0.0007","90","","93.75","0.004","90","","3357.7","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cd2 N2 O11 -","- C14 H12 Cd2 N2 O11 -","- C112 H96 Cd16 N16 O88 -","8","1","","Kukovec, Boris-Marko; Venter, Gerhard A.; Oliver, Clive L.","Structural and DFT Studies on the Polymorphism of a Cadmium(II) Dipicolinate Coordination Polymer","Crystal Growth & Design","2012","12","1","456","","10.1021/cg201285g","","","0.71073","MoKα","","0.0516","0.0372","","","0.0888","0.0967","","","","","","1.064","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502982","13.4961","0.0015","9.383","0.001","13.5797","0.0015","90","","93.542","0.003","90","","1716.4","0.3","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H12 Cd2 N2 O11 -","- C14 H12 Cd2 N2 O11 -","- C56 H48 Cd8 N8 O44 -","4","1","","Kukovec, Boris-Marko; Venter, Gerhard A.; Oliver, Clive L.","Structural and DFT Studies on the Polymorphism of a Cadmium(II) Dipicolinate Coordination Polymer","Crystal Growth & Design","2012","12","1","456","","10.1021/cg201285g","","","0.71073","MoKα","","0.0423","0.0266","","","0.0583","0.0636","","","","","","1.015","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502983","31.6676","0.0022","9.851","0.0006","5.4829","0.0004","90","","98.776","0.005","90","","1690.4","0.2","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C9 H10 O2 -","- C9 H10 O2 -","- C72 H80 O16 -","8","2","","Das, Uday; Chattopadhyay, Basab; Mukherjee, Monika; Mukherjee, Alok K.","Structure Analysis of Molecular Compounds withZ′ = 2 Using Laboratory X-ray Powder Diffraction Data: 3-Phenylpropionic Acid and Its Derivatives","Crystal Growth & Design","2012","12","1","466","","10.1021/cg201290g","powder diffraction","x-ray","1.5418","","","","","","","","","0.07883","","2.07","","","","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502984","17.3804","0.0012","6.1389","0.0005","16.9998","0.0012","90","","91.0253","0.0035","90","","1813.5","0.2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 O -","- C5 H6 O -","- C80 H96 O16 -","16","4","","Das, Uday; Chattopadhyay, Basab; Mukherjee, Monika; Mukherjee, Alok K.","Structure Analysis of Molecular Compounds withZ′ = 2 Using Laboratory X-ray Powder Diffraction Data: 3-Phenylpropionic Acid and Its Derivatives","Crystal Growth & Design","2012","12","1","466","","10.1021/cg201290g","powder diffraction","x-ray","1.5418","","","","","","","","","0.07285","","1.49","","","","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502985","13.8863","0.0014","10.647","0.0013","13.9018","0.0017","90","","114.787","0.0033","90","","1866","0.4","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Das, Uday; Chattopadhyay, Basab; Mukherjee, Monika; Mukherjee, Alok K.","Structure Analysis of Molecular Compounds withZ′ = 2 Using Laboratory X-ray Powder Diffraction Data: 3-Phenylpropionic Acid and Its Derivatives","Crystal Growth & Design","2012","12","1","466","","10.1021/cg201290g","powder diffraction","x-ray","1.5418","","","","","","","","","0.14346","","1.32","","","","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502986","6.6134","0.0003","13.1291","0.0007","18.8114","0.0013","90","","90","","90","","1633.36","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","Springuel, Géraldine; Norberg, Bernadette; Robeyns, Koen; Wouters, Johan; Leyssens, Tom","Advances in Pharmaceutical Co-crystal Screening: Effective Co-crystal Screening through Structural Resemblance","Crystal Growth & Design","2012","12","1","475","","10.1021/cg201291k","","","0.71073","MoKα","","0.0368","0.033","","","0.0827","0.0864","","","","","","1.044","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502987","5.9162","0.0002","12.97","0.0006","20.0643","0.0009","90","","90","","90","","1539.6","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N2 O8 -","- C12 H20 N2 O8 -","- C48 H80 N8 O32 -","4","1","","Springuel, Géraldine; Norberg, Bernadette; Robeyns, Koen; Wouters, Johan; Leyssens, Tom","Advances in Pharmaceutical Co-crystal Screening: Effective Co-crystal Screening through Structural Resemblance","Crystal Growth & Design","2012","12","1","475","","10.1021/cg201291k","","","0.71073","MoKα","","0.0387","0.0364","","","0.0956","0.0973","","","","","","1.042","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502988","11.9394","0.0011","5.6442","0.0005","13.2328","0.0012","90","","109.936","0.01","90","","838.3","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C32 H44 N4 O10 -","2","1","","Springuel, Géraldine; Norberg, Bernadette; Robeyns, Koen; Wouters, Johan; Leyssens, Tom","Advances in Pharmaceutical Co-crystal Screening: Effective Co-crystal Screening through Structural Resemblance","Crystal Growth & Design","2012","12","1","475","","10.1021/cg201291k","","","1.54184","CuKα","","0.049","0.0443","","","0.1209","0.1276","","","","","","1.095","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502989","4.86286","0.00013","20.7109","0.0006","19.3632","0.0005","90","","92.4168","0.0006","90","","1948.41","0.09","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","furosemide nicotinamide 1:1 cocrystal form I","4-chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid pyridine-3-carboxamide","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Ueto, Takamitsu; Takata, Noriyuki; Muroyama, Norihiro; Nedu, Akimitsu; Sasaki, Akito; Tanida, Satoshi; Terada, Katsuhide","Polymorphs and a Hydrate of Furosemide‒Nicotinamide 1:1 Cocrystal","Crystal Growth & Design","2012","12","1","485","","10.1021/cg2013232","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.1616","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502990","16.4686","0.0004","5.01253","0.00014","24.7963","0.0007","90","","108.84","0.0006","90","","1937.25","0.09","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","furosemide nicotinamide 1:1 cocrystal form II","4-chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid pyridine-3-carboxamide","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Ueto, Takamitsu; Takata, Noriyuki; Muroyama, Norihiro; Nedu, Akimitsu; Sasaki, Akito; Tanida, Satoshi; Terada, Katsuhide","Polymorphs and a Hydrate of Furosemide‒Nicotinamide 1:1 Cocrystal","Crystal Growth & Design","2012","12","1","485","","10.1021/cg2013232","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.1583","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502991","5.22828","0.00004","18.71272","0.00017","20.12138","0.00018","90","","94.8246","0.0005","90","","1961.61","0.03","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","furosemide nicotinamide 1:1 cocrystal form III","4-chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid pyridine-3-carboxamide","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Ueto, Takamitsu; Takata, Noriyuki; Muroyama, Norihiro; Nedu, Akimitsu; Sasaki, Akito; Tanida, Satoshi; Terada, Katsuhide","Polymorphs and a Hydrate of Furosemide‒Nicotinamide 1:1 Cocrystal","Crystal Growth & Design","2012","12","1","485","","10.1021/cg2013232","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.4711","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502992","40.6357","0.0013","5.36051","0.00015","18.3727","0.0005","90","","92.5034","0.0013","90","","3998.3","0.2","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","furosemide nicotinamide 1:1 cocrystal form IV","4-chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid pyridine-3-carboxamide","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C144 H136 Cl8 N32 O48 S8 -","8","1","","Ueto, Takamitsu; Takata, Noriyuki; Muroyama, Norihiro; Nedu, Akimitsu; Sasaki, Akito; Tanida, Satoshi; Terada, Katsuhide","Polymorphs and a Hydrate of Furosemide‒Nicotinamide 1:1 Cocrystal","Crystal Growth & Design","2012","12","1","485","","10.1021/cg2013232","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.3955","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502993","46.9784","0.0016","5.098","0.00015","18.1866","0.0006","90","","92.568","0.0018","90","","4351.2","0.2","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","furosemide nicotinamide 1:1 cocrystal hydrate","4-chloro-2-[(2-furanylmethyl)amino]-5-sulfamoylbenzoic acid pyridine-3-carboxamide","","- C18 H21 Cl N4 O8 S -","- C18 H14 Cl N4 O8 S -","- C144 H112 Cl8 N32 O64 S8 -","8","1","","Ueto, Takamitsu; Takata, Noriyuki; Muroyama, Norihiro; Nedu, Akimitsu; Sasaki, Akito; Tanida, Satoshi; Terada, Katsuhide","Polymorphs and a Hydrate of Furosemide‒Nicotinamide 1:1 Cocrystal","Crystal Growth & Design","2012","12","1","485","","10.1021/cg2013232","","","1.54187","CuKα","","","0.0661","","","","0.1456","","","","","","0.931","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502994","12.7255","0.0011","26.833","0.002","3.8938","0.0003","90","","90","","90","","1329.59","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","N-(2-cyanophenyl)-2-hydroxy-1-naphthaldimine","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Cinčić, Dominik; Brekalo, Ivana; Kaitner, Branko","Solvent-Free Polymorphism Control in a Covalent Mechanochemical Reaction","Crystal Growth & Design","2012","12","1","44","","10.1021/cg2013705","","","0.71073","MoKα","","0.1121","0.0646","","","0.0971","0.1097","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502995","7.6425","0.0009","12.5079","0.0011","13.9147","0.0012","90","","90","","90","","1330.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-cyanophenyl)-2-hydroxy-1-naphthaldimine","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Cinčić, Dominik; Brekalo, Ivana; Kaitner, Branko","Solvent-Free Polymorphism Control in a Covalent Mechanochemical Reaction","Crystal Growth & Design","2012","12","1","44","","10.1021/cg2013705","","","0.71073","MoKα","","0.0343","0.0335","","","0.0866","0.0874","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502996","13.3537","0.0004","7.292","0.0002","15.1552","0.0005","90","","114.823","0.004","90","","1339.4","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-cyanophenyl)-2-hydroxy-1-naphthaldimine","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Cinčić, Dominik; Brekalo, Ivana; Kaitner, Branko","Solvent-Free Polymorphism Control in a Covalent Mechanochemical Reaction","Crystal Growth & Design","2012","12","1","44","","10.1021/cg2013705","","","0.71073","MoKα","","0.0449","0.0346","","","0.101","0.1043","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502997","4.9647","0.0008","18.738","0.003","15.175","0.002","90","","96.223","0.014","90","","1403.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2-cyanophenyl)-2-hydroxy-1-naphthaldimine","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Cinčić, Dominik; Brekalo, Ivana; Kaitner, Branko","Solvent-Free Polymorphism Control in a Covalent Mechanochemical Reaction","Crystal Growth & Design","2012","12","1","44","","10.1021/cg2013705","","","0.71073","MoKα","","0.1775","0.0683","","","0.1238","0.1558","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502998","12.7202","0.0002","15.9032","0.0003","30.5436","0.0007","90","","93.2058","0.001","90","","6169.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H46 Cl2 Mg N24 O32 -","- C36 H46 Cl2 Mg N24 O31.528 -","- C144 H184 Cl8 Mg4 N96 O126.112 -","4","1","","Danylyuk, Oksana; Fedin, Vladimir P.","Solid-State Supramolecular Assemblies of Tryptophan and Tryptamine with Cucurbit[6]Uril","Crystal Growth & Design","2012","12","2","550","","10.1021/cg2013914","","","0.71073","MoKα","","0.0872","0.0725","","","0.1826","0.1916","","","","","","0.992","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4502999","31.3812","0.0003","31.3812","0.0003","14.7005","0.0001","90","","90","","90","","14476.8","0.2","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C58 H83 Cl2.5 N28 O25 -","- C58 H71 Cl2.544 N28 O25.234 -","- C464 H568 Cl20.352 N224 O201.872 -","8","1","","Danylyuk, Oksana; Fedin, Vladimir P.","Solid-State Supramolecular Assemblies of Tryptophan and Tryptamine with Cucurbit[6]Uril","Crystal Growth & Design","2012","12","2","550","","10.1021/cg2013914","","","0.71073","MoKα","","0.0676","0.0592","","","0.1446","0.1505","","","","","","1.088","","","","has coordinates,has disorder","179560","2020-10-21","18:00:00",""
"4503000","27.1196","0.0006","16.1001","0.0004","34.3202","0.0007","90","","97.7838","0.0007","90","","14847.1","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H62 Cl2 N28 O29 -","- C56 H62 Cl2 N28 O28.758 -","- C448 H496 Cl16 N224 O230.064 -","8","1","","Danylyuk, Oksana; Fedin, Vladimir P.","Solid-State Supramolecular Assemblies of Tryptophan and Tryptamine with Cucurbit[6]Uril","Crystal Growth & Design","2012","12","2","550","","10.1021/cg2013914","","","0.71073","MoKα","","0.1317","0.0964","","","0.2525","0.2867","","","","","","1.054","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503001","4.6581","0.001","15.16","0.003","14.836","0.003","90","","95.806","0.004","90","","1042.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cl2 N2 O4 -","- C20 H26 Cl2 N2 O4 -","- C40 H52 Cl4 N4 O8 -","2","0.5","","Bisht, Kamal Kumar; Kathalikkattil, Amal Cherian; Suresh, Eringathodi","Hydrogen-Bonded One- and Two-Dimensional Hybrid Water-Chloride Motifs","Crystal Growth & Design","2012","12","2","556","","10.1021/cg2014094","","","0.71073","MoKα","","0.0928","0.0755","","","0.178","0.186","","","","","","1.176","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503002","11.0714","0.0014","15.225","0.002","13.2635","0.0017","90","","105.083","0.002","90","","2158.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl2 N2 O5 -","- C20 H28 Cl2 N2 O5 -","- C80 H112 Cl8 N8 O20 -","4","1","","Bisht, Kamal Kumar; Kathalikkattil, Amal Cherian; Suresh, Eringathodi","Hydrogen-Bonded One- and Two-Dimensional Hybrid Water-Chloride Motifs","Crystal Growth & Design","2012","12","2","556","","10.1021/cg2014094","","","0.71073","MoKα","","0.0587","0.05","","","0.1187","0.1234","","","","","","1.086","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503003","12.657","0.003","14.761","0.002","15.796","0.003","78.89","0.03","67.73","0.04","69.17","0.03","2546.8","1.2","223","1","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H112 Cl2 N8 Nd6 O32 -","- C84 H112 Cl2 N8 Nd6 O32 -","- C84 H112 Cl2 N8 Nd6 O32 -","1","0.5","","Liao, Sen; Yang, Xiaoping; Jones, Richard A.","Self-Assembly of Luminescent Hexanuclear Lanthanide Salen Complexes","Crystal Growth & Design","2012","12","2","970","","10.1021/cg201444p","","","0.710747","MoKα","","0.0485","0.0402","","","0.1","0.1069","","","","","","1.062","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503004","12.498","0.003","14.737","0.003","15.623","0.004","79.18","0.03","68.23","0.02","69.44","0.03","2496.6","1.2","223","1","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C84 H112 Cl2 N8 O32 Tb6 -","- C84 H112 Cl2 N8 O32 Tb6 -","- C84 H112 Cl2 N8 O32 Tb6 -","1","0.5","","Liao, Sen; Yang, Xiaoping; Jones, Richard A.","Self-Assembly of Luminescent Hexanuclear Lanthanide Salen Complexes","Crystal Growth & Design","2012","12","2","970","","10.1021/cg201444p","","","0.710747","MoKα","","0.047","0.0407","","","0.0997","0.1036","","","","","","1.046","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503005","11.842","0.002","14.83","0.003","16.045","0.003","96.17","0.03","105.52","0.03","108.75","0.02","2512.5","1.1","223","2","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C80 H102 Cl2 Eu6 N8 O26 -","- C80 H102 Cl2 Eu6 N8 O26 -","- C80 H102 Cl2 Eu6 N8 O26 -","1","0.5","","Liao, Sen; Yang, Xiaoping; Jones, Richard A.","Self-Assembly of Luminescent Hexanuclear Lanthanide Salen Complexes","Crystal Growth & Design","2012","12","2","970","","10.1021/cg201444p","","","0.710747","MoKα","","0.0625","0.0518","","","0.1304","0.1399","","","","","","1.036","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503006","15.375","0.003","18.622","0.004","19.228","0.004","71.69","0.03","67.98","0.02","83.86","0.03","4845","2","223","2","223","1","","","","","","","","6","P -1","-P 1","2","","","","- C152 H180 Cl4 Er12 N16 O47 -","- C152 H180 Cl4 Er12 N16 O47 -","- C152 H180 Cl4 Er12 N16 O47 -","1","0.5","","Liao, Sen; Yang, Xiaoping; Jones, Richard A.","Self-Assembly of Luminescent Hexanuclear Lanthanide Salen Complexes","Crystal Growth & Design","2012","12","2","970","","10.1021/cg201444p","","","0.710747","MoKα","","0.1038","0.0626","","","0.121","0.1365","","","","","","1.023","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503007","26.282","0.005","6.62","0.005","7.667","0.005","90","0.005","90","0.005","90","0.005","1334","1.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H12 Co N2 O7 -","- C9 H7 Co N2 O7 -","- C36 H28 Co4 N8 O28 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.0901","0.0647","","","0.1713","0.1893","","","","","","1.065","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503008","26.1792","0.0015","6.64","0.0004","7.6702","0.0005","90","","90","","90","","1333.31","0.14","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H12 N2 Ni O7 -","- C9 H7 N2 Ni O7 -","- C36 H28 N8 Ni4 O28 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.0618","0.0458","","","0.1324","0.1406","","","","","","1.221","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503009","27.1331","0.0009","6.7002","0.0002","7.6817","0.0003","90","","90","","90","","1396.51","0.08","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H10 Co N O6 -","- C10 H8 Co N O6 -","- C40 H32 Co4 N4 O24 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.1019","0.0626","","","0.1905","0.2165","","","","","","1.121","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503010","26.9967","0.0009","6.6856","0.0002","7.6377","0.0003","90","","90","","90","","1378.52","0.08","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H10 N Ni O6 -","- C10 H8 N Ni O6 -","- C40 H32 N4 Ni4 O24 -","4","1","","Nagaraja, C. M.; Haldar, Ritesh; Maji, Tapas Kumar; Rao, C. N. R.","Chiral Porous Metal‒Organic Frameworks of Co(II) and Ni(II): Synthesis, Structure, Magnetic Properties, and CO2Uptake","Crystal Growth & Design","2012","12","2","975","","10.1021/cg201447c","","","0.71073","MoKα","","0.0835","0.0807","","","0.2581","0.2599","","","","","","1.306","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503011","16.4358","0.0009","8.0564","0.0004","19.5073","0.0011","90","","100.12","0.004","90","","2542.8","0.2","150","0.02","150","0.02","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C45 H82 O28 -","- C45 H82 O28 -","- C90 H164 O56 -","2","1","","Upreti, Mani; Smit, Jared P.; Hagen, Eric J.; Smolenskaya, Valeriya N.; Prakash, Indra","Single Crystal Growth and Structure Determination of the Natural “High Potency” Sweetener Rebaudioside A","Crystal Growth & Design","2012","12","2","990","","10.1021/cg201463g","","","1.54184","CU-Kα","","0.064","0.058","","","0.157","0.162","","","","","","1.067","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4503012","9.2366","0.001","9.2366","0.001","63.693","0.006","90","","90","","120","","4705.9","0.8","90","0.5","90","0.5","","","","","","","","6","P 65","P 65","170","","","","- C21 H39 N4 O12 P3 S3 -","- C21 H39 N4 O12 P3 S3 -","- C126 H234 N24 O72 P18 S18 -","6","1","","Hossain, Md Alamgir; Işıklan, Muhammet; Pramanik, Avijit; Saeed, Musabbir A.; Fronczek, Frank R.","Anion Cluster: Assembly of Dihydrogen Phosphates for the Formation of a Cyclic Anion Octamer.","Crystal growth & design","2012","12","2","567","571","10.1021/cg201464k","","","1.54178","CuKα","","0.0261","0.0261","","","0.0657","0.0657","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4503013","15.297","0.003","53.58","0.011","14.422","0.003","90","","90","","90","","11820","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","SU-62","","","- C16 H62 Ge20 N8 O50 -","- C16 H68 Ge20 N8 O50 -","- C128 H544 Ge160 N64 O400 -","8","0.5","","Inge, A. Ken; Peskov, Maxim V.; Sun, Junliang; Zou, Xiaodong","SU-62: Synthesis and Structure Investigation of a Germanate with a Novel Three-Dimensional Net and Interconnected 10- and 14-Ring Channels","Crystal Growth & Design","2012","12","1","369","","10.1021/cg201482n","","","0.9077","synchrotron","","0.0275","0.0267","","","0.0632","0.0634","","","","","","1.082","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503014","9.1844","0.0002","21.615","0.0005","11.5401","0.0002","90","","112.701","0.001","90","","2113.47","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7.5 N O15.75 U2 -","- C10 H2 N O15.75 U2 -","- C40 H8 N4 O63 U8 -","4","1","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71073","MoKα","","0.0419","0.0296","","","0.0822","0.1028","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503015","13.198","0.002","14.852","0.002","23.407","0.004","90","","90","","90","","4588.2","1.2","293","","293","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C15 H3 N2 O35 U6 -","- C15 H3 N2 O35 U6 -","- C60 H12 N8 O140 U24 -","4","0.5","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71069","MoKα","","0.0634","0.0444","","","0.0733","0.0747","","","","","","2.94","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503016","55.631","0.002","7.1082","0.0003","13.1074","0.0005","90","","95.831","0.001","90","","5156.3","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H6 N6 O42 U3 -","- C30 H6 N6 O42 U3 -","- C120 H24 N24 O168 U12 -","4","0.5","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71073","MoKα","","0.0396","0.0277","","","0.0309","0.0324","","","","","","1.31","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503017","5.5266","0.0003","7.6559","0.0003","11.3208","0.0004","100.846","0.002","100.44","0.002","96.94","0.002","456.66","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H8 O18 U3 -","- C10 H2 O18 U3 -","- C10 H2 O18 U3 -","1","0.5","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71073","MoKα","","0.0238","0.0181","","","0.0366","0.0457","","","","","","1.142","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503018","12.8489","0.0002","12.7051","0.0002","9.9736","0.0001","90","","90","","90","","1628.16","0.04","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H8 O15 U2 -","- C10 H2 O15 U2 -","- C40 H8 O60 U8 -","4","0.5","","Mihalcea, Ionut; Henry, Natacha; Volkringer, Christophe; Loiseau, Thierry","Uranyl‒Pyromellitate Coordination Polymers: Toward Three-Dimensional Open Frameworks with Large Channel Systems","Crystal Growth & Design","2012","12","1","526","","10.1021/cg201509v","","","0.71073","MoKα","","0.0231","0.0158","","","0.0348","0.0377","","","","","","1.087","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503019","33.291","0.007","24.518","0.005","16.748","0.004","90","","90","","90","","13670","5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C44 H30 O15 Zn4 -","- C44 H30 O15 Zn4 -","- C352 H240 O120 Zn32 -","8","1","","Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand","Crystal Growth & Design","2012","12","2","1022","","10.1021/cg201552g","","","0.71073","MoKα","","0.1038","0.063","","","0.1632","0.1796","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503020","29.722","0.006","13.552","0.002","18.68","0.004","90","","124.54","0.006","90","","6198","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Mn3 O14 -","- C44 H30 Mn3 O14 -","- C176 H120 Mn12 O56 -","4","0.5","","Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand","Crystal Growth & Design","2012","12","2","1022","","10.1021/cg201552g","","","0.71073","MoKα","","0.0679","0.0447","","","0.0858","0.0884","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503021","14.132","0.003","25.112","0.005","19.91","0.003","90","","121.51","0.01","90","","6024","2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C47 H42 Cd3 N O18 -","- C47 H42 Cd3 N O18 -","- C188 H168 Cd12 N4 O72 -","4","1","","Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand","Crystal Growth & Design","2012","12","2","1022","","10.1021/cg201552g","","","0.71073","MoKα","","0.0927","0.066","","","0.1795","0.1925","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503022","13.3185","0.0013","9.4298","0.0009","25.8321","0.0019","90","","116.342","0.004","90","","2907.4","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H52 Cd3 N4 O16 -","- C60 H52 Cd3 N4 O16 -","- C120 H104 Cd6 N8 O32 -","2","0.5","","Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand","Crystal Growth & Design","2012","12","2","1022","","10.1021/cg201552g","","","0.71073","MoKα","","0.0506","0.0447","","","0.1174","0.1205","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503023","29.1269","0.0017","12.9184","0.0008","25.2889","0.0014","90","","103.408","0.001","90","","9256.2","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H76 Cd4 N8 O23 -","- C92 H76 Cd4 N8 O23 -","- C368 H304 Cd16 N32 O92 -","4","0.5","","Cui, Jiehu; Lu, Zhenzhong; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Five Novel Coordination Polymers Based on a C-Centered Triangular Flexible Ligand","Crystal Growth & Design","2012","12","2","1022","","10.1021/cg201552g","","","0.71073","MoKα","","0.0784","0.0607","","","0.1715","0.1813","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4503024","9.3167","0.0016","9.8122","0.0017","11.596","0.002","95.596","0.004","97.431","0.003","97.238","0.003","1035.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N O10 Zn1.5 -","- C14 H12 N O10 Zn1.5 -","- C28 H24 N2 O20 Zn3 -","2","1","","Nagarkar, Sanjog S.; Chaudhari, Abhijeet K.; Ghosh, Sujit K.","Role of Temperature on Framework Dimensionality: Supramolecular Isomers of Zn3(RCOO)8Based Metal Organic Frameworks","Crystal Growth & Design","2012","12","2","572","","10.1021/cg201630c","","","0.71073","MoKα","","0.0379","0.0347","","","0.1117","0.1171","","","","","","0.477","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503025","12.7693","0.001","12.7842","0.0009","14.7758","0.0011","85.019","0.002","65.87","0.001","89.613","0.002","2191.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N2 O20 Zn3 -","- C28 H24 N2 O20 Zn3 -","- C56 H48 N4 O40 Zn6 -","2","1","","Nagarkar, Sanjog S.; Chaudhari, Abhijeet K.; Ghosh, Sujit K.","Role of Temperature on Framework Dimensionality: Supramolecular Isomers of Zn3(RCOO)8Based Metal Organic Frameworks","Crystal Growth & Design","2012","12","2","572","","10.1021/cg201630c","","","0.71073","MoKα","","0.0334","0.0312","","","0.094","0.0958","","","","","","1.059","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503026","9.426","0.005","15.424","0.005","17.359","0.005","90","","92.474","0.005","90","","2521.4","1.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O10 Zn1.5 -","- C14 H12 N O10 Zn1.5 -","- C56 H48 N4 O40 Zn6 -","4","1","","Nagarkar, Sanjog S.; Chaudhari, Abhijeet K.; Ghosh, Sujit K.","Role of Temperature on Framework Dimensionality: Supramolecular Isomers of Zn3(RCOO)8Based Metal Organic Frameworks","Crystal Growth & Design","2012","12","2","572","","10.1021/cg201630c","","","0.71069","MoKα","","0.1152","0.1038","","","0.3378","0.3523","","","","","","1.525","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503027","9.6637","0.0006","15.9623","0.0007","12.4881","0.0007","90","","114.047","0.002","90","","1759.17","0.17","110","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C9 H23 Br N6 S3 -","- C7.794 H20.789 Br0.799 N6 S3 -","- C31.176 H83.156 Br3.196 N24 S12 -","4","1","","Palmer, Benjamin A.; Kariuki, Benson M.; Morte-Ródenas, Anabel; Harris, Kenneth D. M.","Structural Rationalization of the Phase Transition Behavior in a Solid Organic Inclusion Compound: Bromocyclohexane/Thiourea","Crystal Growth & Design","2012","12","2","577","","10.1021/cg201656y","","","0.71073","MoKα","","0.1074","0.0799","","","0.1959","0.2123","","","","","","1.121","","","","has coordinates,has disorder","179561","2020-10-21","18:00:00",""
"4505446","9.84","0.002","9.965","0.002","20.557","0.004","95.4","0.03","94.84","0.03","101.64","0.03","1954.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H23 Mn2 Mo9 Na4 O43.5 -","- Mn2 Mo9 Na4 O43.5 -","- Mn4 Mo18 Na8 O87 -","2","1","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.0563","0.046","","","0.1252","0.1311","","","","","","1.073","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505447","11.17","0.002","16.386","0.003","18.95","0.004","90","","102.9","0.03","90","","3380.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- H18 K Mn2 Mo9 Na3 O41 -","- K Mn2 Mo9 Na3 O41 -","- K4 Mn8 Mo36 Na12 O164 -","4","1","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.1091","0.0701","","","0.163","0.2085","","","","","","1.063","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505448","19.309","0.004","16.485","0.003","11.389","0.002","90","","105.89","0.03","90","","3486.7","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H24 Mn Mo9 Na2 Ni2 O44 -","- Mn Mo9 Na2 Ni2 O44 -","- Mn4 Mo36 Na8 Ni8 O176 -","4","0.5","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.1095","0.0785","","","0.1932","0.2132","","","","","","1.066","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505449","15.822","0.002","15.822","0.002","12.482","0.003","90","","90","","120","","2706.1","0.8","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- H26 Mn4 Mo9 O45 -","- Mn4 Mo9 O45 -","- Mn12 Mo27 O135 -","3","0.166667","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.05","0.0489","","","0.1399","0.1409","","","","","","1.104","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505450","15.841","0.002","15.841","0.002","12.531","0.003","90","","90","","120","","2723.2","0.8","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- H26 Mn4 Mo9 O45 -","- Mn4 Mo9 O45 -","- Mn12 Mo27 O135 -","3","0.166667","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.0464","0.0456","","","0.1318","0.1323","","","","","","1.141","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505451","15.706","0.002","15.706","0.002","12.462","0.003","90","","90","","120","","2662.3","0.8","293","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- H23 Mn Mo9 Ni3 O43.5 -","- Mn Mo9 Ni3 O43.5 -","- Mn3 Mo27 Ni9 O130.5 -","3","0.166667","","Tan, Huaqiao; Li, Yangguang; Chen, Weilin; Yan, Aixue; Liu, Ding; Wang, Enbo","A Series of [MnMo9O32]6‒Based Solids: Homochiral Transferred from Adjacent Polyoxoanions to One-, Two-, and Three-Dimensional Frameworks","Crystal Growth & Design","2012","12","3","1111","","10.1021/cg2004936","","","0.71073","MoKα","","0.1002","0.0722","","","0.1753","0.194","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505452","9.046","0.002","4.8948","0.0012","69.909","0.017","90","","90","","90","","3095.5","1.3","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C30 H59 N O3 -","- C30 H59 N O3 -","- C120 H236 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.1271","0.0597","","","0.1166","0.1445","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505453","68.592","0.004","4.8795","0.0003","8.778","0.0006","90","","92.262","0.001","90","","2935.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H59 N O3 -","- C30 H59 N O3 -","- C120 H236 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.0771","0.0627","","","0.1604","0.169","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505454","9.087","0.005","4.925","0.003","74.87","0.04","90","","90","","90","","3351","3","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H63 N O3 -","- C32 H63 N O3 -","- C128 H252 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.1852","0.1085","","","0.2216","0.263","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505455","74.26","0.03","4.913","0.002","9.069","0.004","90","","92.577","0.007","90","","3305","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H63 N O3 -","- C32 H63 N O3 -","- C128 H252 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.1829","0.1464","","","0.2789","0.2994","","","","","","1.138","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505456","64.921","0.007","4.8832","0.0005","9.0299","0.0009","90","","90.679","0.002","90","","2862.5","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H53 N O3 -","- C27 H53 N O3 -","- C108 H212 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.1689","0.0883","","","0.2465","0.3016","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505457","69.079","0.011","4.8901","0.0008","8.9962","0.0014","90","","91.818","0.003","90","","3037.4","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H57 N O3 -","- C29 H57 N O3 -","- C116 H228 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.2477","0.1143","","","0.275","0.3465","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505458","8.7611","0.001","4.8641","0.0005","68.422","0.007","90","","90","","90","","2915.8","0.5","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-palmitoyl, O-lauroylethanolamine at100K","","","- C30 H59 N O3 -","- C30 H59 N O3 -","- C120 H236 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.0719","0.0661","","","0.1057","0.1071","","","","","","1.718","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505459","8.8445","0.0015","4.8785","0.0008","73","0.012","90","","90","","90","","3149.8","0.9","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","N-palmitoyl, O-myristoylethanolamine","","","- C32 H63 N O3 -","- C32 H63 N O3 -","- C128 H252 N4 O12 -","4","1","","Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.","Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism","Crystal Growth & Design","2012","12","3","1132","","10.1021/cg200698t","","","0.71073","MoKα","","0.0852","0.0713","","","0.1529","0.1585","","","","","","1.427","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505460","15.991","0.01","15.206","0.01","9.272","0.006","90","","115.343","0.007","90","","2038","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu Eu N8 O8 -","- C16 H16 Cu Eu N8 O8 -","- C64 H64 Cu4 Eu4 N32 O32 -","4","0.5","","Liang, Li; Peng, Guo; Ma, Li; Sun, Lin; Deng, Hong; Li, Hong; Li, Weishan","A New Family of 3d‒4f Heterometallic Tetrazole-based Coordination Frameworks: In SituTetrazole Ligand Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1151","1158","10.1021/cg200856e","","","0.71073","MoKα","","0.0233","0.0216","","","0.0521","0.0528","","","","","","1.001","","","","has coordinates","180553","2020-10-21","18:00:00",""
"4505461","16.0425","0.0019","15.16","0.0018","9.2883","0.0011","90","","115.389","0.001","90","","2040.8","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu Gd N8 O8 -","- C16 H16 Cu Gd N8 O8 -","- C64 H64 Cu4 Gd4 N32 O32 -","4","0.5","","Liang, Li; Peng, Guo; Ma, Li; Sun, Lin; Deng, Hong; Li, Hong; Li, Weishan","A New Family of 3d‒4f Heterometallic Tetrazole-based Coordination Frameworks: In SituTetrazole Ligand Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1151","1158","10.1021/cg200856e","","","0.71073","MoKα","","0.0273","0.026","","","0.0685","0.0691","","","","","","1.066","","","","has coordinates","180553","2020-10-21","18:00:00",""
"4505462","16.033","0.003","15.155","0.002","9.2818","0.0015","90","","115.391","0.002","90","","2037.4","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu N8 O8 Tb -","- C16 H16 Cu N8 O8 Tb -","- C64 H64 Cu4 N32 O32 Tb4 -","4","0.5","","Liang, Li; Peng, Guo; Ma, Li; Sun, Lin; Deng, Hong; Li, Hong; Li, Weishan","A New Family of 3d‒4f Heterometallic Tetrazole-based Coordination Frameworks: In SituTetrazole Ligand Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1151","1158","10.1021/cg200856e","","","0.71073","MoKα","","0.0232","0.0218","","","0.055","0.0556","","","","","","1.023","","","","has coordinates","180553","2020-10-21","18:00:00",""
"4505463","16.0231","0.0017","15.1138","0.0016","9.2701","0.001","90","","115.484","0.001","90","","2026.5","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Cu Dy N8 O8 -","- C16 H16 Cu Dy N8 O8 -","- C64 H64 Cu4 Dy4 N32 O32 -","4","0.5","","Liang, Li; Peng, Guo; Ma, Li; Sun, Lin; Deng, Hong; Li, Hong; Li, Weishan","A New Family of 3d‒4f Heterometallic Tetrazole-based Coordination Frameworks: In SituTetrazole Ligand Synthesis, Structure, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1151","1158","10.1021/cg200856e","","","0.71073","MoKα","","0.0249","0.0236","","","0.0616","0.0622","","","","","","1.007","","","","has coordinates","180553","2020-10-21","18:00:00",""
"4505464","8.7588","0.0007","26.607","0.002","14.4393","0.0009","90","","119.085","0.003","90","","2940.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Cu2 N7 O14 -","- C23 H19 Cu2 N7 O14 -","- C92 H76 Cu8 N28 O56 -","4","1","","Yang, En-Cui; Ding, Bo; Liu, Zhong-Yi; Yang, You-Li; Zhao, Xiao-Jun","Structural Transformation from a Discrete CuII4Cluster to Two Extended CuII4+ CuII1Chain-Based Three-Dimensional Frameworks by Changing the Spacer Functionality: Synthesis, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1185","","10.1021/cg2011666","","","0.71073","MoKα","","0.0433","0.0354","","","0.0889","0.0934","","","","","","1.06","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505465","8.0427","0.0005","8.9697","0.0006","10.7156","0.0007","91.271","0.001","96.337","0.001","93.699","0.001","766.37","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25.2 Cu5 N6 O20.6 -","- C22 H24 Cu5 N6 O20.6 -","- C22 H24 Cu5 N6 O20.6 -","1","0.5","","Yang, En-Cui; Ding, Bo; Liu, Zhong-Yi; Yang, You-Li; Zhao, Xiao-Jun","Structural Transformation from a Discrete CuII4Cluster to Two Extended CuII4+ CuII1Chain-Based Three-Dimensional Frameworks by Changing the Spacer Functionality: Synthesis, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1185","","10.1021/cg2011666","","","0.71073","MoKα","","0.0304","0.0293","","","0.0736","0.0743","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505466","26.685","0.002","7.4317","0.0006","15.7589","0.0012","90","","108.978","0.001","90","","2955.3","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8.13 Cu2.5 N3 O10.06 -","- C12 H8 Cu2.5 N3 O10.065 -","- C96 H64 Cu20 N24 O80.52 -","8","1","","Yang, En-Cui; Ding, Bo; Liu, Zhong-Yi; Yang, You-Li; Zhao, Xiao-Jun","Structural Transformation from a Discrete CuII4Cluster to Two Extended CuII4+ CuII1Chain-Based Three-Dimensional Frameworks by Changing the Spacer Functionality: Synthesis, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1185","","10.1021/cg2011666","","","0.71073","MoKα","","0.0324","0.0235","","","0.0656","0.0829","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505467","10.293","0.002","10.613","0.002","12.534","0.003","112.94","0.03","97.04","0.03","105.01","0.03","1178.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N6 O4 Zn -","- C24 H24 N6 O4 Zn -","- C48 H48 N12 O8 Zn2 -","2","1","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.0846","0.0744","","","0.202","0.2104","","","","","","1.123","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505468","9.2779","0.0019","12.14","0.002","13.159","0.003","104.26","0.03","110.35","0.03","107.4","0.03","1220.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N6 O6 Zn -","- C24 H28 N6 O6 Zn -","- C48 H56 N12 O12 Zn2 -","2","1","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.0683","0.058","","","0.1563","0.1667","","","","","","1.106","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505469","16.481","0.003","17.086","0.003","10.267","0.002","90","","90","","90","","2891.1","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C56 H74 N12 O11 Zn2 -","- C56 H74 N12 O11 Zn2 -","- C112 H148 N24 O22 Zn4 -","2","0.25","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.1061","0.0841","","","0.2007","0.2165","","","","","","1.176","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505470","9.186","0.0018","11.92","0.002","14.21","0.003","72.69","0.03","85.48","0.03","77.25","0.03","1448.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 N6 O4 Zn -","- C30 H38 N6 O4 Zn -","- C60 H76 N12 O8 Zn2 -","2","1","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.06","0.0483","","","0.1087","0.1156","","","","","","1.102","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505471","21.598","0.004","19.922","0.004","24.788","0.005","90","","98.6","0.03","90","","10546","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 N9 O13 Zn2 -","- C52 H52 N9 O13 Zn2 -","- C416 H416 N72 O104 Zn16 -","8","1","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.0777","0.0685","","","0.1775","0.1834","","","","","","1.167","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505472","9.4971","0.0019","11.355","0.002","14.608","0.003","101.75","0.03","92.08","0.03","101.96","0.03","1503.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 N6 O9 Zn -","- C33 H28 N6 O9 Zn -","- C66 H56 N12 O18 Zn2 -","2","1","","Mu, Yajuan; Han, Gang; Li, Zhen; Liu, Xiaoting; Hou, Hongwei; Fan, Yaoting","Effect of Organic Polycarboxylate Ligands on the Structures of a Series of Zinc(II) Coordination Polymers Based on a Conformational Bis-triazole Ligand","Crystal Growth & Design","2012","12","3","1193","","10.1021/cg201180u","","","0.71073","MoKα","","0.0588","0.0517","","","0.1221","0.1271","","","","","","1.106","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505473","7.485","0.003","31.617","0.013","5.169","0.002","90","","106.19","0.02","90","","1174.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cu N O5 -","- C14 H10 Cu N O5 -","- C56 H40 Cu4 N4 O20 -","4","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71075","MoKα","","0.0492","0.0409","","","0.0969","0.1004","","","","","","1.149","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505474","7.5343","0.0015","15.432","0.003","16.814","0.003","116.35","0.03","92.04","0.03","90.63","0.03","1749.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Cu2 N4 O12 -","- C38 H32 Cu2 N4 O12 -","- C76 H64 Cu4 N8 O24 -","2","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71073","MoKα","","0.0526","0.0362","","","0.0885","0.0956","","","","","","1.004","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505475","9.7351","0.001","23.513","0.003","6.506","0.0008","90","","107.709","0.007","90","","1418.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Co2 N2 O14 -","- C28 H28 Co2 N2 O14 -","- C56 H56 Co4 N4 O28 -","2","0.5","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71075","MoKα","","0.069","0.0463","","","0.0866","0.0933","","","","","","1.14","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505476","29.703","0.004","5.1857","0.0007","19.504","0.003","90","","109.106","0.004","90","","2838.7","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Co N O7 -","- C14 H14 Co N O7 -","- C112 H112 Co8 N8 O56 -","8","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71075","MoKα","","0.0455","0.0413","","","0.081","0.0828","","","","","","1.125","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505477","11.45","0.002","14.17","0.003","15.695","0.003","90","","110.06","0.03","90","","2392","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Co N3 O5.5 -","- C24 H19 Co N3 O5.5 -","- C96 H76 Co4 N12 O22 -","4","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71073","MoKα","","0.1078","0.0825","","","0.2092","0.229","","","","","","1.104","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505478","6.587","0.0013","9.866","0.002","11.756","0.002","97.88","0.03","105.16","0.03","102.98","0.03","702.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 Ni2 O14 -","- C28 H28 N2 Ni2 O14 -","- C28 H28 N2 Ni2 O14 -","1","0.5","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71073","MoKα","","0.0706","0.0453","","","0.0897","0.0965","","","","","","0.975","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505479","11.37","0.002","14.137","0.003","15.113","0.003","90","","107.63","0.03","90","","2315.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N3 Ni O7 -","- C24 H22 N3 Ni O7 -","- C96 H88 N12 Ni4 O28 -","4","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71073","MoKα","","0.0957","0.0718","","","0.158","0.1712","","","","","","1.046","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505480","29.479","0.003","5.1262","0.0005","19.357","0.0017","90","","109.018","0.003","90","","2765.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N O7 Zn -","- C14 H14 N O7 Zn -","- C112 H112 N8 O56 Zn8 -","8","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71075","MoKα","","0.0411","0.0366","","","0.0893","0.0922","","","","","","1.103","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505481","5.204","0.0011","9.634","0.002","9.777","0.002","90","","91.737","0.004","90","","489.95","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 Mn O6 -","- C9 H8 Mn O6 -","- C18 H16 Mn2 O12 -","2","1","","Chen, Zhi; Gao, Dong-Liang; Diao, Chun-Hua; Liu, Yue; Ren, Jia; Chen, Ji; Zhao, Bin; Shi, Wei; Cheng, Peng","Syntheses, Structures Tuned by 4,4′-Bipyridine and Magnetic Properties of a Series of Transition Metal Compounds Containingo-Carboxylphenoxyacetate Acid","Crystal Growth & Design","2012","12","3","1201","","10.1021/cg201197k","","","0.71075","MoKα","","0.0183","0.0179","","","0.0439","0.0441","","","","","","1.131","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505482","2.815","0.0003","2.815","0.0003","14.0516","0.0006","90","","90","","120","","96.43","0.015","298","2","298","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Co Li O2 -","- Co Li O2 -","- Co3 Li3 O6 -","3","0.0833333","","Lin, Qiyin; Li, Qing’an; Gray, Kenneth E.; Mitchell, John F.","Vapor Growth and Chemical Delithiation of Stoichiometric LiCoO2Crystals","Crystal Growth & Design","2012","12","3","1232","","10.1021/cg201238n","","","0.71073","MoKα","","0.019","0.019","","","0.0487","0.0487","","","","","","1.353","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505483","8.0435","0.0006","17.401","0.0018","17.9545","0.0014","90","","110.689","0.006","90","","2350.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Co I N4 O7 -","- C18 H23 Co I N4 O7 -","- C72 H92 Co4 I4 N16 O28 -","4","1","","Zang, Shuang-Quan; Dong, Ming-Ming; Fan, Ya-Juan; Hou, Hong-Wei; Mak, Thomas C. W.","Four Cobaltic Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Interaction and Solvent Effect","Crystal Growth & Design","2012","12","3","1239","","10.1021/cg201257j","","","1.54178","CuKα","","0.0802","0.0604","","","0.144","0.1584","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4505484","15.131","0.004","19.269","0.01","18.433","0.006","90","","108.89","0.03","90","","5085","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 Co2 I2 N8 O14 -","- C42 H52 Co2 I2 N8 O14 -","- C168 H208 Co8 I8 N32 O56 -","4","1","","Zang, Shuang-Quan; Dong, Ming-Ming; Fan, Ya-Juan; Hou, Hong-Wei; Mak, Thomas C. W.","Four Cobaltic Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Interaction and Solvent Effect","Crystal Growth & Design","2012","12","3","1239","","10.1021/cg201257j","","","0.71073","MoKα","","0.1015","0.0538","","","0.1082","0.126","","","","","","0.986","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505485","10.2864","0.0004","24.1852","0.0019","9.8258","0.0005","90","","99.757","0.005","90","","2409.1","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Co I N5 O5 -","- C21 H24 Co I N5 O5 -","- C84 H96 Co4 I4 N20 O20 -","4","1","","Zang, Shuang-Quan; Dong, Ming-Ming; Fan, Ya-Juan; Hou, Hong-Wei; Mak, Thomas C. W.","Four Cobaltic Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Interaction and Solvent Effect","Crystal Growth & Design","2012","12","3","1239","","10.1021/cg201257j","","","0.71073","MoKα","","0.0803","0.0513","","","0.0983","0.109","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4505486","24.7094","0.0017","19.5965","0.001","11.1511","0.0006","90","","90","","90","","5399.6","0.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H52 Co2 I2 N10 O10 -","- C44 H52 Co2 I2 N10 O10 -","- C176 H208 Co8 I8 N40 O40 -","4","1","","Zang, Shuang-Quan; Dong, Ming-Ming; Fan, Ya-Juan; Hou, Hong-Wei; Mak, Thomas C. W.","Four Cobaltic Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Interaction and Solvent Effect","Crystal Growth & Design","2012","12","3","1239","","10.1021/cg201257j","","","0.71073","MoKα","","0.094","0.0673","","","0.1596","0.1779","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505487","17.545","0.003","24.189","0.004","24.659","0.004","90","","104.053","0.003","90","","10152","3","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H161 Cu5 Gd2 K N28 O173 Si4 W44 -","- C28 H112 Cu5 Gd2 K N28 O173 Si4 W44 -","- C56 H224 Cu10 Gd4 K2 N56 O346 Si8 W88 -","2","0.5","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.069","0.0425","","","0.0926","0.101","","","","","","0.989","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505488","17.569","0.003","24.235","0.004","24.673","0.004","90","","103.939","0.004","90","","10196","3","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H161 Cu5 K N28 O173 Si4 Tb2 W44 -","- C28 H112 Cu5 K N28 O173 Si4 Tb2 W44 -","- C56 H224 Cu10 K2 N56 O346 Si8 Tb4 W88 -","2","0.5","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0692","0.043","","","0.0973","0.1051","","","","","","1.007","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505489","17.5614","0.0014","24.208","0.002","24.557","0.002","90","","104.132","0.001","90","","10123.9","1.4","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H167 Cu5 Dy2 K N32 O168 Si4 W44 -","- C32 H128 Cu5 Dy2 K N32 O168 Si4 W44 -","- C64 H256 Cu10 Dy4 K2 N64 O336 Si8 W88 -","2","0.5","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0871","0.0615","","","0.1467","0.1576","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505490","17.5312","0.0016","24.212","0.002","24.75","0.002","90","","103.919","0.002","90","","10197","1.5","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H161 Cu5 Er2 K N28 O173 Si4 W44 -","- C28 H112 Cu5 Er2 K N28 O173 Si4 W44 -","- C56 H224 Cu10 Er4 K2 N56 O346 Si8 W88 -","2","0.5","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0567","0.0349","","","0.0755","0.0813","","","","","","1.016","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505491","17.51","0.003","24.175","0.004","24.658","0.004","90","","103.817","0.003","90","","10136","3","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C28 H161 Cu5 K Lu2 N28 O173 Si4 W44 -","- C28 H112 Cu5 K Lu2 N28 O173 Si4 W44 -","- C56 H224 Cu10 K2 Lu4 N56 O346 Si8 W88 -","2","0.5","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0635","0.0413","","","0.0933","0.1008","","","","","","1.003","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505492","16.6434","0.0009","13.6944","0.0007","21.8679","0.0011","90","","107.091","0.001","90","","4764.1","0.4","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C7 H36 Cu1.5 La N7 O42 Si W11 -","- C7 H28 Cu1.5 La N7 O42 Si W11 -","- C28 H112 Cu6 La4 N28 O168 Si4 W44 -","4","1","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0485","0.0351","","","0.0737","0.0776","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505493","16.6217","0.0012","13.667","0.001","21.8926","0.0015","90","","106.995","0.001","90","","4756.1","0.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C7 H34 Ce Cu1.5 N7 O41 Si W11 -","- C7 H28 Ce Cu1.5 N7 O41 Si W11 -","- C28 H112 Ce4 Cu6 N28 O164 Si4 W44 -","4","1","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0561","0.0372","","","0.0819","0.0871","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505494","21.816","0.012","11.667","0.007","39.2","0.02","90","","101.698","0.01","90","","9770","9","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H85 Cu3 N16 O85 Pr Si2 W22 -","- C16 H68 Cu3 N16 O85 Pr Si2 W22 -","- C64 H272 Cu12 N64 O340 Pr4 Si8 W88 -","4","1","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.068","0.0455","","","0.092","0.0992","","","","","","1.042","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505495","22.247","0.0007","11.7997","0.0004","39.9452","0.0013","90","","102.201","0.001","90","","10249.1","0.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H91 Cu4 N18 O85 Si2 Sm W22 -","- C18 H72 Cu4 N18 O85 Si2 Sm W22 -","- C72 H288 Cu16 N72 O340 Si8 Sm4 W88 -","4","1","","Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping","Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals","Crystal Growth & Design","2012","12","3","1263","","10.1021/cg2012759","","","0.71073","MoKα","","0.0651","0.0437","","","0.0971","0.1042","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505496","14.2938","0.0027","14.8561","0.0028","23.1087","0.0044","92.7867","0.0023","91.5679","0.0023","109.889","0.0021","4604","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H35 Cu8 N40 O41 Si W12 -","- C48 H32 Cu8 N40 O41 Si W12 -","- C96 H64 Cu16 N80 O82 Si2 W24 -","2","1","","Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet","Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates","Crystal Growth & Design","2012","12","3","1273","","10.1021/cg2012809","","","0.71069","MoKα","","0.176","0.0843","","","0.1977","0.2395","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505497","24.001","0.0012","17.455","0.0018","11.676","0.003","90","0.0013","105.096","0.0014","90","0.0013","4722.7","1.3","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C48 H32 Cl3 Cu12 N40 O40 P W12 -","- C48 H32 Cl3 Cu12 N40 O40 P W12 -","- C96 H64 Cl6 Cu24 N80 O80 P2 W24 -","2","0.5","","Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet","Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates","Crystal Growth & Design","2012","12","3","1273","","10.1021/cg2012809","","","0.71069","MoKα","","0.0578","0.0453","","","0.1336","0.1463","","","","","","0.992","","","","has coordinates","179589","2020-10-21","18:00:00",""
"4505498","11.385","0.0004","12.392","0.0004","15.054","0.0003","99.216","0.002","95.468","0.002","110.979","0.003","1930.45","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H33 Cu6 N30 O45 P W12 -","- C36 H24 Cu6 N30 O45 P W12 -","- C36 H24 Cu6 N30 O45 P W12 -","1","0.5","","Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet","Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates","Crystal Growth & Design","2012","12","3","1273","","10.1021/cg2012809","","","0.71069","MoKα","","0.0467","0.0363","","","0.1087","0.1131","","","","","","0.832","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505499","11.9372","0.001","13.8906","0.0011","14.1593","0.0011","99.594","0.0011","91.408","0.001","111.358","0.0009","2146.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H38 Cu7 N30 O48 Si W12 -","- C36 H24 Cu7 N30 O48 Si W12 -","- C36 H24 Cu7 N30 O48 Si W12 -","1","0.5","","Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet","Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates","Crystal Growth & Design","2012","12","3","1273","","10.1021/cg2012809","","","0.71073","MoKα","","0.0762","0.0605","","","0.1563","0.1749","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505500","11.841","0.002","13.837","0.003","14.269","0.003","99.426","0.003","91.965","0.003","110.705","0.002","2146.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H37 Cu7 Mo12 N30 O48 P -","- C36 H24 Cu7 Mo12 N30 O48 P -","- C36 H24 Cu7 Mo12 N30 O48 P -","1","0.5","","Liu, Ming-guan; Zhang, Peng-peng; Peng, Jun; Meng, Hua-xin; Wang, Xiang; Zhu, Min; Wang, Dan-dan; Meng, Cui-li; Alimaje, Kundawlet","Organic‒Inorganic Hybrids Constructed from Mixed-Valence Multinuclear Copper Complexes and Templated by Keggin Polyoxometalates","Crystal Growth & Design","2012","12","3","1273","","10.1021/cg2012809","","","0.71069","MoKα","","0.0831","0.0654","","","0.1958","0.2134","","","","","","1.016","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505501","12.17","0.002","13.601","0.003","17.4","0.004","90","","90","","90","","2880.1","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H28 Mn3 N10 O18 -","- C16 H28 Mn3 N10 O18 -","- C64 H112 Mn12 N40 O72 -","4","0.5","","Xie, Li-Xia; Hou, Xiao-Wei; Fan, Yao-Ting; Hou, Hong-Wei","Four Three-Dimensional Coordination Polymers Constructed by 2-((1H-1,2,4-Triazol-1-yl)methyl)-1H-Imidazole-4,5-Dicarboxylate: Syntheses, Topological Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1282","","10.1021/cg201287t","","","0.71073","MoKα","","0.0531","0.0514","","","0.139","0.1407","","","","","","1.093","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505502","12.5879","0.0018","12.5879","0.0018","25.09","0.005","90","","90","","90","","3975.6","1.1","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C8 H12 Co1.5 N5 O8 -","- C8 H4 Co1.5 N5 O8 -","- C64 H32 Co12 N40 O64 -","8","1","","Xie, Li-Xia; Hou, Xiao-Wei; Fan, Yao-Ting; Hou, Hong-Wei","Four Three-Dimensional Coordination Polymers Constructed by 2-((1H-1,2,4-Triazol-1-yl)methyl)-1H-Imidazole-4,5-Dicarboxylate: Syntheses, Topological Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1282","","10.1021/cg201287t","","","0.71073","MoKα","","0.0662","0.0658","","","0.2021","0.2025","","","","","","1.195","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505503","11.271","0.002","15.663","0.003","12.609","0.003","90","","104.43","0.03","90","","2155.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cu3 N10 O10 -","- C16 H8 Cu3 N10 O10 -","- C64 H32 Cu12 N40 O40 -","4","1","","Xie, Li-Xia; Hou, Xiao-Wei; Fan, Yao-Ting; Hou, Hong-Wei","Four Three-Dimensional Coordination Polymers Constructed by 2-((1H-1,2,4-Triazol-1-yl)methyl)-1H-Imidazole-4,5-Dicarboxylate: Syntheses, Topological Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1282","","10.1021/cg201287t","","","0.71073","MoKα","","0.1152","0.0851","","","0.2104","0.2353","","","","","","1.053","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505504","7.9459","0.0016","10.56","0.002","11.698","0.002","90","","105.25","0.03","90","","947","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cd N5 O4 -","- C8 H5 Cd N5 O4 -","- C32 H20 Cd4 N20 O16 -","4","1","","Xie, Li-Xia; Hou, Xiao-Wei; Fan, Yao-Ting; Hou, Hong-Wei","Four Three-Dimensional Coordination Polymers Constructed by 2-((1H-1,2,4-Triazol-1-yl)methyl)-1H-Imidazole-4,5-Dicarboxylate: Syntheses, Topological Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","3","1282","","10.1021/cg201287t","","","0.71073","MoKα","","0.0253","0.0234","","","0.0604","0.0621","","","","","","1.071","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505505","13.9491","0.0007","18.6397","0.0007","16.798","0.0014","90","","101.633","0.007","90","","4277.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Co N6 Na O10 -","- C44 H42 Co N6 Na O10 -","- C176 H168 Co4 N24 Na4 O40 -","4","1","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.1025","0.0681","","","0.1811","0.1976","","","","","","0.99","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505506","25.186","0.0017","25.186","0.0017","33.184","0.003","90","","90","","120","","18230","2","120","2","120","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C42 H29 Co N6 O13 -","- C42 H29 Co N6 O13 -","- C756 H522 Co18 N108 O234 -","18","0.5","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.0845","0.0806","","","0.2024","0.2052","","","","","","1.273","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505507","13.948","0.005","13.948","0.005","13.771","0.005","90","","90","","90","","2679.1","1.7","293","2","293","2","","","","","","","","5","I -4","I -4","82","","","","- C38 H29 Co N6 O9 -","- C38 H26 Co N6 O9 -","- C76 H52 Co2 N12 O18 -","2","0.25","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.0684","0.0515","","","0.1281","0.135","","","","","","1.002","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505508","10.039","0.004","15.446","0.005","14.872","0.005","90","","90","","90","","2306.1","1.4","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C38 H29 Co N6 O9 -","- C38 H26 Co N6 O9 -","- C76 H52 Co2 N12 O18 -","2","0.25","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.1239","0.112","","","0.2871","0.3059","","","","","","1.11","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505509","10.3708","0.0003","15.3526","0.0005","15.0072","0.0006","90","","90","","90","","2389.43","0.14","150","2","150","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C38 H29 Co N6 O13 -","- C38 H26 Co N6 O13 -","- C76 H52 Co2 N12 O26 -","2","0.25","","Ali, Afsar; Hundal, Geeta; Gupta, Rajeev","Co3±Based Building Blocks with Appended Phenol and Catechol Groups: Examples of Placing Hydrogen-Bond Donors and Acceptors in a Single Molecule","Crystal Growth & Design","2012","12","3","1308","","10.1021/cg201369g","","","0.71073","MoKα","","0.0978","0.0783","","","0.2198","0.2277","","","","","","1.026","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505510","13.4135","0.0009","13.7731","0.0009","15.5462","0.001","66.502","0.002","68.836","0.002","71.676","0.003","2407","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.75 H59 Ag3 N6.25 O12.75 S6 -","- C36.75 H55 Ag3 N6.25 O12.75 S6 -","- C73.5 H110 Ag6 N12.5 O25.5 S12 -","2","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0363","0.0341","","","0.1122","0.1142","","","","","","1.051","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505511","16.642","0.004","17.785","0.004","32.181","0.01","96.826","0.017","95.146","0.018","108.17","0.012","8904","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H136 Ag8 Cl8 N8 O32 S16 -","- C96 H136 Ag8 Cl8 N8 O32 S16 -","- C192 H272 Ag16 Cl16 N16 O64 S32 -","2","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0816","0.063","","","0.1945","0.2048","","","","","","1.221","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505512","7.7864","0.0007","18.8075","0.0017","28.265","0.003","90","","94.465","0.004","90","","4126.6","0.7","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Ag2 Cl5 N4 O8 S4 -","- C29 H41 Ag2 Cl5 N4 O8 S4 -","- C116 H164 Ag8 Cl20 N16 O32 S16 -","4","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0531","0.0431","","","0.0961","0.1035","","","","","","1.123","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505513","30.3","0.003","7.6201","0.0007","16.7339","0.0016","90","","101.458","0.003","90","","3786.7","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 Ag Cl3 N O4 S2 -","- C13 H19 Ag Cl3 N O4 S2 -","- C104 H152 Ag8 Cl24 N8 O32 S16 -","8","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0686","0.0434","","","0.1089","0.1309","","","","","","1.058","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505514","10.3356","0.0004","14.5288","0.0006","31.326","0.0012","90","","91.665","0.001","90","","4702","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H51 Ag3 Cl3 N3 O12 S6 -","- C36 H51 Ag3 Cl3 N3 O12 S6 -","- C144 H204 Ag12 Cl12 N12 O48 S24 -","4","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0571","0.0375","","","0.0937","0.1076","","","","","","1.075","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505515","20.8068","0.001","18.5339","0.001","21.7427","0.0011","90","","111.607","0.003","90","","7795.5","0.7","172","2","172","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H89 Ag4 Cl4 N7 O19 S8 -","- C57 H89 Ag4 Cl4 N7 O19 S8 -","- C228 H356 Ag16 Cl16 N28 O76 S32 -","4","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0922","0.0445","","","0.0957","0.1388","","","","","","1.062","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505516","14.7445","0.0013","7.5614","0.0007","13.7777","0.0012","90","","111.807","0.002","90","","1426.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O3 S2 -","- C12 H18 N2 O3 S2 -","- C48 H72 N8 O12 S8 -","4","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0476","0.0407","","","0.1029","0.1096","","","","","","1.052","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505517","5.3199","0.0005","16.8338","0.0016","13.4036","0.0012","90","","94.041","0.002","90","","1197.36","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N S2 -","- C12 H17 N S2 -","- C48 H68 N4 S8 -","4","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0671","0.0392","","","0.0901","0.1026","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505518","8.6849","0.0006","5.6723","0.0004","12.7991","0.0009","90","","105.937","0.001","90","","606.29","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H17 N S2 -","- C12 H17 N S2 -","- C24 H34 N2 S4 -","2","1","","Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung","Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures","Crystal Growth & Design","2012","12","3","1320","","10.1021/cg201374g","","","0.71073","MoKα","","0.0422","0.0419","","","0.1109","0.1111","","","","","","1.134","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505519","19.239","0.004","16.373","0.003","9.3961","0.0019","90","","102.68","0.03","90","","2887.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Eu1","","","- C28 H23 Eu2 N O15 -","- C28 H23 Eu2 N O15 -","- C112 H92 Eu8 N4 O60 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0561","0.0436","","","0.0932","0.0968","","","","","","1.197","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505520","19.094","0.004","15.375","0.003","18.899","0.004","90","","117.1","0.03","90","","4939","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Eu2","","","- C21 H21 Eu N O9 -","- C21 H21 Eu N O9 -","- C168 H168 Eu8 N8 O72 -","8","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0475","0.0357","","","0.0943","0.1018","","","","","","1.057","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505521","19.117","0.004","15.511","0.003","18.916","0.004","90","","116.72","0.03","90","","5010","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Pr3","","","- C21 H21 N O9 Pr -","- C21 H21 N O9 Pr -","- C168 H168 N8 O72 Pr8 -","8","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0323","0.0299","","","0.0942","0.0954","","","","","","1.082","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505522","19.0944","0.0008","15.4582","0.0004","18.8603","0.001","90","","116.906","0.002","90","","4964.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N Nd O9 -","- C21 H21 N Nd O9 -","- C168 H168 N8 Nd8 O72 -","8","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0631","0.0379","","","0.0994","0.1032","","","","","","0.912","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505523","11.803","0.002","12.148","0.002","16.464","0.003","90","","92.07","0.03","90","","2359.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Eu5","","","- C20 H22 Eu N3 O9 -","- C20 H22 Eu N3 O9 -","- C80 H88 Eu4 N12 O36 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0601","0.0399","","","0.0984","0.1077","","","","","","1.033","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505524","11.8455","0.0003","12.1329","0.0003","16.4482","0.0004","90","","91.892","0.002","90","","2362.65","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N3 Nd O9 -","- C20 H22 N3 Nd O9 -","- C80 H88 N12 Nd4 O36 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0712","0.0464","","","0.1336","0.1431","","","","","","0.977","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505525","11.741","0.002","12.136","0.002","16.414","0.003","90","","91.92","0.03","90","","2337.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Gd N3 O9 -","- C20 H22 Gd N3 O9 -","- C80 H88 Gd4 N12 O36 -","4","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0454","0.0359","","","0.079","0.0843","","","","","","0.873","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505526","9.2634","0.0019","9.4204","0.0019","15.549","0.003","83.92","0.03","75","0.03","74.13","0.03","1259.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 Eu O9 -","- C28 H19 Eu O9 -","- C56 H38 Eu2 O18 -","2","1","","Chen, Shuo; Fan, Rui-Qing; Sun, Cun-Fa; Wang, Ping; Yang, Yu-Lin; Su, Qing; Mu, Ying","Synthesis, Structure, and Luminescent Properties of Lanthanide-Based Two-Dimensional and Three-Dimensional Metal‒Organic Frameworks with 2,4′-Biphenyldicarboxylic Acid","Crystal Growth & Design","2012","12","3","1337","","10.1021/cg201411b","","","0.71073","MoKα","","0.0455","0.0394","","","0.101","0.1091","","","","","","1.056","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505527","14.9066","0.0005","20.4267","0.0008","21.8526","0.0009","90","","90","","90","","6654","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H104 N2 O47 -","- C46 H102 N2 O47 -","- C184 H408 N8 O188 -","4","1","","Zhang, Ying-Ming; Yang, Zi-Xin; Chen, Yong; Ding, Fei; Liu, Yu","Molecular Binding and Assembly Behavior of β-Cyclodextrin with Piperazine and 1,4-Dioxane in Aqueous Solution and Solid State","Crystal Growth & Design","2012","12","3","1370","","10.1021/cg201446x","","","0.7107","MoKα","","0.0601","0.0585","","","0.1428","0.1472","","","","","","1.185","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505528","12.966","0.01","19.274","0.014","28.12","0.02","90","","90","","90","","7027","9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H106 N2 O48 -","- C46 H78 N2 O48 -","- C184 H312 N8 O192 -","4","1","","Zhang, Ying-Ming; Yang, Zi-Xin; Chen, Yong; Ding, Fei; Liu, Yu","Molecular Binding and Assembly Behavior of β-Cyclodextrin with Piperazine and 1,4-Dioxane in Aqueous Solution and Solid State","Crystal Growth & Design","2012","12","3","1370","","10.1021/cg201446x","","","0.7107","MoKα","","0.1211","0.1062","","","0.3001","0.3203","","","","","","1.213","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505529","15.274","0.012","10.178","0.008","20.961","0.016","90","","110.251","0.007","90","","3057","4","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H46 O22 -","- C23 H39 O22 -","- C92 H156 O88 -","4","2","","Zhang, Ying-Ming; Yang, Zi-Xin; Chen, Yong; Ding, Fei; Liu, Yu","Molecular Binding and Assembly Behavior of β-Cyclodextrin with Piperazine and 1,4-Dioxane in Aqueous Solution and Solid State","Crystal Growth & Design","2012","12","3","1370","","10.1021/cg201446x","","","","","","0.113","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505530","15.309","0.003","15.799","0.003","16.424","0.003","90","","117.56","0.03","90","","3521.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H54 N8 O18 Zn5 -","- C76 H54 N8 O18 Zn5 -","- C152 H108 N16 O36 Zn10 -","2","0.5","","He, Kun-Huan; Song, Wei-Chao; Li, Yun-Wu; Chen, Yong-Qiang; Bu, Xian-He","A New 10-Connected Coordination Network with Pentanuclear Zinc Clusters as Secondary Building Units","Crystal Growth & Design","2012","12","3","1064","","10.1021/cg2014495","","","0.71073","MoKα","","0.0748","0.0494","","","0.086","0.0937","","","","","","1.077","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505531","10.472","0.0003","10.561","0.0003","11.059","0.0004","96.271","0.002","114.843","0.002","115.244","0.001","939.88","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H26 Cu Mg N O13 -","- C11 H26 Cu Mg N O13 -","- C22 H52 Cu2 Mg2 N2 O26 -","2","1","","Kirillov, Alexander M.; Karabach, Yauhen Y.; Kirillova, Marina V.; Haukka, Matti; Pombeiro, Armando J. L.","Topologically Unique 2D Heterometallic CuII/Mg Coordination Polymer: Synthesis, Structural Features, and Catalytic Use in Alkane Hydrocarboxylation","Crystal Growth & Design","2012","12","3","1069","","10.1021/cg201459k","","","0.71073","MoKα","","0.0509","0.0408","","","0.1003","0.1062","","","","","","1.022","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505532","13.087","0.002","15.579","0.003","3.8629","0.0006","90","","90","","90","","787.6","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Theophylline","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Fucke, Katharina; McIntyre, Garry J.; Wilkinson, Clive; Henry, Marc; Howard, Judith A. K.; Steed, Jonathan W.","New Insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms","Crystal Growth & Design","2012","12","3","1395","","10.1021/cg201499s","","","0.71073","MoKα","","0.113","0.0786","","","0.1934","0.2118","","","","","","0.972","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505533","24.3301","0.0014","3.7707","0.0002","8.485","0.0005","90","","90","","90","","778.43","0.08","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Theophylline form II","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Fucke, Katharina; McIntyre, Garry J.; Wilkinson, Clive; Henry, Marc; Howard, Judith A. K.; Steed, Jonathan W.","New Insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms","Crystal Growth & Design","2012","12","3","1395","","10.1021/cg201499s","","","0.71073","MoKα","","0.0569","0.0416","","","0.0976","0.1035","","","","","","0.955","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505534","4.4605","0.0003","15.3207","0.0009","13.0529","0.0007","90","","97.511","0.002","90","","884.36","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Theophylline Monohydrate","","","- C7 H10 N4 O3 -","- C7 H10 N4 O3 -","- C28 H40 N16 O12 -","4","1","","Fucke, Katharina; McIntyre, Garry J.; Wilkinson, Clive; Henry, Marc; Howard, Judith A. K.; Steed, Jonathan W.","New Insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms","Crystal Growth & Design","2012","12","3","1395","","10.1021/cg201499s","","","0.71073","MoKα","","0.0624","0.0487","","","0.1281","0.135","","","","","","1.133","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505535","4.4159","0.0003","15.1675","0.0009","12.9224","0.0007","90","","97.511","0.002","90","","858.09","0.09","20","2","20","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N4 O3 -","- C7 H10 N4 O3 -","- C28 H40 N16 O12 -","4","1","","Fucke, Katharina; McIntyre, Garry J.; Wilkinson, Clive; Henry, Marc; Howard, Judith A. K.; Steed, Jonathan W.","New Insights into an Old Molecule: Interaction Energies of Theophylline Crystal Forms","Crystal Growth & Design","2012","12","3","1395","","10.1021/cg201499s","","","0.71073","MoKα","","0.1372","0.1326","","","0.3703","0.3712","","","","","","1.192","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505536","63.515","0.005","63.515","0.005","63.515","0.005","90","","90","","90","","256229","3","225","","225","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 H12 Cu O4 -","- C24 H12 Cu O4 -","- C2304 H1152 Cu96 O384 -","96","0.5","","Eryazici, Ibrahim; Farha, Omar K.; Hauser, Brad G.; Yazaydın, A. Özgür; Sarjeant, Amy A.; Nguyen, SonBinh T.; Hupp, Joseph T.","Two Large-Pore Metal‒Organic Frameworks Derived from a Single Polytopic Strut","Crystal Growth & Design","2012","12","3","1075","","10.1021/cg201520z","","","1.54184","CuKα","","0.1091","0.0727","","","0.1895","0.2013","","","","","","0.862","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4505537","24.527","0.001","24.527","0.001","71.355","0.004","90","","90","","120","","37174","3","225.01","","225.01","","","","","","","","","4","R -3 c","-R 3 2""c","167","","","","- C144 H72 O26 Zn8 -","- C141 H69 O26 Zn8 -","- C423 H207 O78 Zn24 -","3","","","Eryazici, Ibrahim; Farha, Omar K.; Hauser, Brad G.; Yazaydın, A. Özgür; Sarjeant, Amy A.; Nguyen, SonBinh T.; Hupp, Joseph T.","Two Large-Pore Metal‒Organic Frameworks Derived from a Single Polytopic Strut","Crystal Growth & Design","2012","12","3","1075","","10.1021/cg201520z","","","1.54184","CuKα","","0.1031","0.0695","","","0.1834","0.196","","","","","","0.841","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505538","5.9663","0.0006","25.007","0.003","18.1843","0.0015","90","","95.154","0.003","90","","2702.1","0.5","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 S4 -","- C31 H33 S4 -","- C124 H132 S16 -","4","1","","Leitch, Alicea A.; Mansour, Aya; Stobo, Kimberly A.; Korobkov, Ilia; Brusso, Jaclyn L.","Functionalized Tetrathienoanthracene: Enhancing π‒π Interactions Through Expansion of the π-Conjugated Framework","Crystal Growth & Design","2012","12","3","1416","","10.1021/cg201521w","","","0.71073","MoKα","","0.0807","0.0494","","","0.1217","0.1419","","","","","","1.009","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505539","13.9674","0.0006","3.9096","0.0002","19.9845","0.0009","90","","106.906","0.003","90","","1044.13","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H6 Br4 S4 -","- C22 H6 Br4 S4 -","- C44 H12 Br8 S8 -","2","0.5","","Leitch, Alicea A.; Mansour, Aya; Stobo, Kimberly A.; Korobkov, Ilia; Brusso, Jaclyn L.","Functionalized Tetrathienoanthracene: Enhancing π‒π Interactions Through Expansion of the π-Conjugated Framework","Crystal Growth & Design","2012","12","3","1416","","10.1021/cg201521w","","","0.71073","MoKα","","0.0587","0.0474","","","0.127","0.1325","","","","","","1.055","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505540","14.2834","0.0006","11.3575","0.0002","15.1707","0.0007","90","","99.733","0.0015","90","","2425.62","0.16","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 B F5 N6 O -","- C30 H12 B F5 N6 O -","- C120 H48 B4 F20 N24 O4 -","4","1","","Castrucci, Jeffrey S.; Helander, Michael G.; Morse, Graham E.; Lu, Zheng-Hong; Yip, Christopher M.; Bender, Timothy P.","Charge Carrier Mobility in Fluorinated Phenoxy Boron Subphthalocyanines: Role of Solid State Packing","Crystal Growth & Design","2012","12","3","1095","","10.1021/cg2015385","","","0.71073","MoKα","","0.1134","0.054","","","0.1164","0.145","","","","","","1.037","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505541","10.7704","0.001","11.746","0.001","22.3","0.002","97.571","0.001","92.149","0.001","91.563","0.001","2793.1","0.4","188","2","188","2","","","","","","","","6","P -1","-P 1","2","Barium iron(4) dioxo di-HPDTA diacetate","","","- C52 H64 Ba4 Fe8 N8 O71 -","- C52 H64 Ba4 Fe8 N8 O71.5 -","- C52 H64 Ba4 Fe8 N8 O71.5 -","1","0.5","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1314","0.0883","","","0.2546","0.29","","","","","","1.058","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505542","27.249","0.005","19.289","0.004","19.362","0.004","90","","97.799","0.004","90","","10083","3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C104 H108 Eu4 Fe16 N16 O138 -","- C104 H112 Eu4 Fe16 N16 O138 -","- C208 H224 Eu8 Fe32 N32 O276 -","2","0.25","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1703","0.1029","","","0.3125","0.3533","","","","","","1.091","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505543","10.7849","0.0013","11.911","0.0014","21.4","0.003","80.007","0.001","86.927","0.001","89.284","0.001","2703.4","0.6","188","2","188","2","","","","","","","","6","P -1","-P 1","2","lithium iron(4) di-HPDTA diacetate","","","- C52 H68 Fe8 Li4 N8 O76 -","- C52 H68 Fe8 Li4 N8 O76 -","- C52 H68 Fe8 Li4 N8 O76 -","1","0.5","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1281","0.0852","","","0.2767","0.3098","","","","","","1.099","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505544","11.043","0.0009","20.5133","0.0016","11.2959","0.0009","90","","98.551","0.001","90","","2530.4","0.3","188","2","188","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","sodium magnesium iron(4) di-HPDTA diacetate","","","- C52 H66 Fe8 Mg2 N8 Na2 O72 -","- C52 H66 Fe8 Mg2 N8 Na2 O72 -","- C52 H66 Fe8 Mg2 N8 Na2 O72 -","1","0.25","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.0817","0.0737","","","0.2401","0.2494","","","","","","1.054","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505545","21.074","0.003","11.1217","0.0014","21.507","0.003","90","","99.44","0.003","90","","4972.5","1.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","lanthanum iron(4) dioxo di-HPDTA diacetate","","","- C26 H33 Fe4 La N4 O36 -","- C26 H33 Fe4 La N4 O36 -","- C104 H132 Fe16 La4 N16 O144 -","4","1","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.41228","synchrotron","","0.1114","0.0821","","","0.2154","0.2343","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505546","11.0473","0.0011","20.418","0.002","11.7437","0.0012","90","","100.614","0.001","90","","2603.6","0.5","188","2","188","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","sodium iron(4) dioxo di-HPDTA diacetate","","","- C52 H64 Fe8 N8 Na5 O80 -","- C52 H64 Fe8 N8 Na5 O80 -","- C52 H64 Fe8 N8 Na5 O80 -","1","0.25","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1034","0.0717","","","0.1981","0.2197","","","","","","1.054","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505547","10.916","0.016","11.495","0.016","11.628","0.016","62.196","0.014","81.926","0.016","81.446","0.016","1272","3","188","2","188","2","","","","","","","","6","P -1","-P 1","2","cesium iron(4) dioxo di-HPDTA diacetate","","","- C26 H32 Cs3 Fe4 N4 O30 -","- C26 H32 Cs3 Fe4 N4 O30 -","- C26 H32 Cs3 Fe4 N4 O30 -","1","0.5","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1105","0.097","","","0.2211","0.2274","","","","","","1.276","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505548","11.0751","0.0017","20.51","0.003","11.2452","0.0017","90","","99.297","0.002","90","","2520.8","0.7","188","2","188","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","zinc iron(4) di-HPDTA diacetate","","","- C52 H68 Fe8 N8 O69 Zn2 -","- C52 H68 Fe8 N8 O69 Zn2 -","- C52 H68 Fe8 N8 O69 Zn2 -","1","0.25","","Hou, Yu; Rodriguez, Mark A.; Nyman, May","Cation-Bonding and Protonation of the Fe4-Square Cluster","Crystal Growth & Design","2012","12","3","1422","","10.1021/cg2015397","","","0.71073","MoKα","","0.1044","0.0859","","","0.2703","0.2905","","","","","","1.081","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505549","14.4608","0.0005","15.5768","0.0006","16.2543","0.0007","77.43","0.003","87.842","0.003","66.798","0.004","3279.8","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H64 Ag4 N8 O21 -","- C56 H64 Ag4 N8 O21 -","- C112 H128 Ag8 N16 O42 -","2","1","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, Structures, and Properties of Silver‒Organic Frameworks Constructed with 1,1′-Biphenyl-2,2′,6,6′-tetracarboxylic Acid","Crystal Growth & Design","2012","12","3","1443","","10.1021/cg2015447","","","0.71073","MoKα","","0.0752","0.0499","","","0.1348","0.1472","","","","","","1.062","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505550","14.8314","0.0011","9.7047","0.0017","22.344","0.002","90","","131.552","0.006","90","","2406.8","0.6","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H46 Ag3 N7 O14 -","- C46 H46 Ag3 N7 O14 -","- C92 H92 Ag6 N14 O28 -","2","0.5","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, Structures, and Properties of Silver‒Organic Frameworks Constructed with 1,1′-Biphenyl-2,2′,6,6′-tetracarboxylic Acid","Crystal Growth & Design","2012","12","3","1443","","10.1021/cg2015447","","","0.71073","MoKα","","0.087","0.0653","","","0.1332","0.1442","","","","","","1.009","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505551","13.6268","0.0013","11.3907","0.0009","22.824","0.003","90","","110.823","0.008","90","","3311.3","0.6","296","","296","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H28 Ag2 N4 O10 -","- C36 H28 Ag2 N4 O10 -","- C144 H112 Ag8 N16 O40 -","4","1","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, Structures, and Properties of Silver‒Organic Frameworks Constructed with 1,1′-Biphenyl-2,2′,6,6′-tetracarboxylic Acid","Crystal Growth & Design","2012","12","3","1443","","10.1021/cg2015447","","","0.71073","MoKα","","0.2022","0.0821","","","0.1043","0.1311","","","","","","0.939","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505552","13.1642","0.0005","9.9022","0.0005","16.0294","0.0011","90","","124.52","0.004","90","","1721.6","0.18","296","","296","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H24 Ag2 Cl N4 O12 -","- C36 H24 Ag2 Cl N4 O12 -","- C72 H48 Ag4 Cl2 N8 O24 -","2","0.5","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, Structures, and Properties of Silver‒Organic Frameworks Constructed with 1,1′-Biphenyl-2,2′,6,6′-tetracarboxylic Acid","Crystal Growth & Design","2012","12","3","1443","","10.1021/cg2015447","","","0.71073","MoKα","","0.0759","0.0604","","","0.1524","0.1611","","","","","","1.042","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505553","22.927","0.005","14.592","0.003","13.588","0.003","90","","117.98","0.03","90","","4014.5","1.9","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Ag N2 O6 -","- C20 H18 Ag N2 O6 -","- C160 H144 Ag8 N16 O48 -","8","1","","Li, Bo; Zang, Shuang-Quan; Ji, Can; Hou, Hong-Wei; Mak, Thomas C. W.","Syntheses, Structures, and Properties of Silver‒Organic Frameworks Constructed with 1,1′-Biphenyl-2,2′,6,6′-tetracarboxylic Acid","Crystal Growth & Design","2012","12","3","1443","","10.1021/cg2015447","","","0.71073","MoKα","","0.1213","0.0835","","","0.1888","0.2178","","","","","","1.094","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505554","14.3868","0.0007","9.5641","0.0004","11.3566","0.0005","90","","92.69","0.002","90","","1560.91","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O10 Zn -","- C15 H14 O10 Zn -","- C60 H56 O40 Zn4 -","4","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0359","0.034","","","0.0893","0.0909","","","","","","1.085","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505555","10.946","0.003","21.049","0.005","10.57","0.003","90","","102.395","0.004","90","","2378.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 N2 O8 Zn -","- C27 H18 N2 O8 Zn -","- C108 H72 N8 O32 Zn4 -","4","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0721","0.0681","","","0.2023","0.2076","","","","","","0.952","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505556","7.355","0.002","12.238","0.004","16.627","0.005","91.214","0.003","101.321","0.004","101.88","0.003","1433.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N3 O10 Zn -","- C30 H26 N3 O10 Zn -","- C60 H52 N6 O20 Zn2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0544","0.0426","","","0.0915","0.0985","","","","","","1.061","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505557","11.1662","0.0014","13.8811","0.0018","13.9214","0.0015","96.82","0.05","105.96","0.03","109.44","0.03","1903","0.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H48 N4 O30 Zn6 -","- C80 H48 N4 O30 Zn6 -","- C80 H48 N4 O30 Zn6 -","1","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0438","0.0416","","","0.1027","0.1073","","","","","","1.024","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505558","7.545","0.004","9.685","0.005","13.943","0.006","81.678","0.014","76.877","0.012","80.706","0.01","973","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N2 O8 Zn1.5 -","- C21 H14 N2 O8 Zn1.5 -","- C42 H28 N4 O16 Zn3 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0278","0.0259","","","0.0713","0.0729","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505559","7.6718","0.0017","13.923","0.003","19.539","0.005","109.64","0.002","90.472","0.002","105.149","0.002","1886.7","0.8","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C80 H52 N8 O32 Zn6 -","- C80 H52 N8 O32 Zn6 -","- C80 H52 N8 O32 Zn6 -","1","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun","Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands","Crystal Growth & Design","2012","12","3","1452","","10.1021/cg201556b","","","0.71073","MoKα","","0.0502","0.0391","","","0.0924","0.0978","","","","","","0.967","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505560","22.505","0.003","22.505","0.003","7.3716","0.0019","90","","90","","120","","3233.3","1","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H20 Fe N12 O6.5 -","- C12 H7.02 Fe N12 O3 -","- C72 H42.12 Fe6 N72 O18 -","6","0.166667","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","0.71073","MoKα","","0.0564","0.0523","","","0.1433","0.1473","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505561","22.6476","0.0011","22.6476","0.0011","7.4471","0.0005","90","","90","","120","","3308","0.3","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H20 Fe N12 O6.5 -","- C12 H7.02 Fe N12 O3 -","- C72 H42.12 Fe6 N72 O18 -","6","0.166667","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","0.71073","MoKα","","0.084","0.0528","","","0.1263","0.1885","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505562","22.6497","0.0012","22.6497","0.0012","7.451","0.0006","90","","90","","120","","3310.3","0.4","200","2","200","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H20 Fe N12 O6.5 -","- C12 H7.02 Fe N12 O3 -","- C72 H42.12 Fe6 N72 O18 -","6","0.166667","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","0.71073","MoKα","","0.1029","0.0686","","","0.1693","0.2414","","","","","","1.193","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505563","22.6799","0.0017","22.6799","0.0017","7.4972","0.0008","90","","90","","120","","3339.7","0.5","298","2","298","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C12 H20 Fe N12 O6.5 -","- C12 H7.02 Fe N12 O3 -","- C72 H42.12 Fe6 N72 O18 -","6","0.166667","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","0.71073","MoKα","","0.0609","0.0502","","","0.1424","0.1561","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505564","12.078","0.002","24.56","0.005","12.087","0.002","90","","110.48","0.02","90","","3358.8","1.1","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C35 H74 Fe3 N24 O25 -","- C26 H18.04 Fe3 N24 O6 -","- C52 H36.08 Fe6 N48 O12 -","2","0.25","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","1.54178","CuKα","","0.0872","0.0666","","","0.14","0.1508","","","","","","0.87","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505565","12.0115","0.001","24.5797","0.0017","12.102","0.0009","90","","110.112","0.009","90","","3355.1","0.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C35 H74 Fe3 N24 O25 -","- C26 H18.04 Fe3 N24 O6 -","- C52 H36.08 Fe6 N48 O12 -","2","0.25","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","1.54178","CuKα","","0.0501","0.0398","","","0.0974","0.1021","","","","","","0.917","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505566","12.106","0.002","24.627","0.003","12.118","0.002","90","","110.68","0.02","90","","3380","1","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C46 H80 Fe3 N24 O17 -","- C26 H18.04 Fe3 N24 O6 -","- C52 H36.08 Fe6 N48 O12 -","2","0.25","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","1.54178","CuKα","","0.0946","0.0749","","","0.1774","0.1906","","","","","","0.915","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505567","12.114","0.003","24.506","0.005","11.95","0.003","90","","110.264","0.006","90","","3328","1.4","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C46 H80 Fe3 N24 O17 -","- C26 H18.04 Fe3 N24 O6 -","- C52 H36.08 Fe6 N48 O12 -","2","0.25","","Liu, Wen-Ting; Li, Jin-Yan; Ni, Zhao-Ping; Bao, Xin; Ou, Yong-Cong; Leng, Ji-Dong; Liu, Jun-Liang; Tong, Ming-Liang","Incomplete Spin Crossover versus Antiferromagnetic Behavior Exhibited in Three-Dimensional Porous Fe(II)-Bis(tetrazolate) Frameworks","Crystal Growth & Design","2012","12","3","1482","","10.1021/cg201569m","","","0.71073","MoKα","","0.1407","0.0914","","","0.2305","0.2825","","","","","","0.901","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505568","20.962","0.003","20.962","0.003","32.498","0.005","90","","90","","120","","12367","3","293","2","293","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","hexakis(dimethylammonium) [dodekakis(mu-pyrazine-2,5-dicarboxylato) -k2N,O:kO')hexaindate(III)]","","- C84 H72 In6 N30 O48 -","- C84 H72 In6 N30 O48 -","- C252 H216 In18 N90 O144 -","3","0.166667","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.1136","0.0547","","","0.1194","0.1278","","","","","","0.853","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505569","31.4338","0.0009","31.4338","0.0009","31.4338","0.0009","90","","90","","90","","31059.2","1.5","100","2","100","2","","","","","","","synthesis as described","5","P a -3","-P 2ac 2ab 3","205","","hexakis(diethylammonium) [dodekakis(mu-pyrazine-2,5-dicarboxylato) -k2N,O:kO')hexaindate(III)]","","- C96 H96 In6 N30 O48 -","- C96 H96 In6 N30 O48 -","- C768 H768 In48 N240 O384 -","8","0.333333","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.0802","0.0598","","","0.1611","0.1695","","","","","","0.895","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505570","9.159","0.003","9.159","0.003","24.445","0.014","90","","90","","90","","2050.6","1.5","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-{[tetramethylammonium (mu-pyrazine-2,5-dicarboxylato)-k2N,O:k2N',O') indate(III)]dihydrate}","","- C16 H20 In N5 O10 -","- C16 H20 In N5 O10 -","- C64 H80 In4 N20 O40 -","4","0.25","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.048","0.0313","","","0.0698","0.0728","","","","","","0.943","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505571","10.828","0.001","17.088","0.001","11.467","0.001","90","","106.84","0.01","90","","2030.7","0.3","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","poly-{[diethylammonium (mu-pyrazine-2,5-dicarboxylato)-k2N,O:k2N',O') indate(III)]-water (1/2)}","","- C16 H4 In N5 O10 -","- C16 H4 In N5 O10 -","- C64 H16 In4 N20 O40 -","4","0.5","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.0644","0.0511","","","0.1239","0.1296","","","","","","1.008","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505572","15.38","0.001","15.38","0.001","52.911","0.001","90","","90","","120","","10839","1","100","2","100","2","","","","","","","synthesis as described","5","R -3 c :H","-R 3 2""c","167","","poly-[dimethylammonium (mu-pyridazine-3,6-dicarboxylato)-k2N,O:kO') indate(III)]","","- C14 H12 In N5 O8 -","- C13.3267 H4 In N4.66 O8 -","- C239.88 H72 In18 N83.88 O144 -","18","0.5","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.0496","0.0416","","","0.1296","0.1339","","","","","","1.114","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505573","12.928","0.002","10.806","0.002","12.262","0.003","90","","90","","90","","1713","0.6","100","2","100","2","","","","","","","synthesis as described","5","A b a 2","A 2 -2ab","41","","poly-[dimethylammonium (mu-pyridazine-3,6-dicarboxylato)-k2N,O:kO') indate(III)]","","- C14 H12 In N5 O8 -","- C14 H12 In N5 O8 -","- C56 H48 In4 N20 O32 -","4","","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","0.71073","MoKα","","0.0379","0.0306","","","0.0723","0.0739","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505574","21.2339","0.0001","28.3875","0.0001","28.7497","0.0002","90","","90","","90","","17329.7","0.16","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","tetrakis(dimethylammonium) [octaacuatetrakis(mu-pyridazine-3,6-dicarboxylato) -k2N,O:k2N',O')bis(mu-pyridazine-3,6-dicarboxylato)-k2N,O:k2O',O'') bis(mu-pyridazine-3,6-dicarboxylato)-k2N,O:kO') tetrakis(mu-pyridazine-3,6-dicarboxylato)-kO:kO')octaindate(III)octahydrate]","","- C80 H76 In8 N28 O68 -","- C80 H76 In8 N28 O68 -","- C320 H304 In32 N112 O272 -","4","0.5","","Cepeda, Javier; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Structure-Directing Effect of Organic Cations in the Assembly of Anionic In(III)/Diazinedicarboxylate Architectures","Crystal Growth & Design","2012","12","3","1501","","10.1021/cg201572y","","","1.5418","CuKα","","0.0347","0.0317","","","0.0873","0.0889","","","","","","1.079","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505575","13.1974","0.0003","6.9662","0.0002","26.2816","0.0008","90","","97.847","0.001","90","","2393.59","0.11","293","2","293","2","","","","","","","synthesis as described","4","P 1 c 1","P -2yc","7","","","","- C20 H24 N8 O8 -","- C20 H24 N8 O8 -","- C80 H96 N32 O32 -","4","2","","Leyssens, Tom; Springuel, Geraldine; Montis, Riccardo; Candoni, Nadine; Veesler, Stéphane","Importance of Solvent Selection for Stoichiometrically Diverse Cocrystal Systems: Caffeine/Maleic Acid 1:1 and 2:1 Cocrystals","Crystal Growth & Design","2012","12","3","1520","1530","10.1021/cg201581z","","x-ray","0.71073","MoKα","","0.2037","0.0973","","","0.2465","0.3191","","","","","","1.032","","","","has coordinates","211128","2020-10-21","18:00:00",""
"4505576","7.9765","0.0018","8.067","0.003","12.162","0.005","77.59","0.03","77.68","0.03","69.92","0.03","709.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N4 O6 -","- C12 H14 N4 O6 -","- C24 H28 N8 O12 -","2","1","","Leyssens, Tom; Springuel, Geraldine; Montis, Riccardo; Candoni, Nadine; Veesler, Stéphane","Importance of Solvent Selection for Stoichiometrically Diverse Cocrystal Systems: Caffeine/Maleic Acid 1:1 and 2:1 Cocrystals","Crystal Growth & Design","2012","12","3","1520","1530","10.1021/cg201581z","","","0.71073","MoKα","","0.0629","0.0591","","","0.1638","0.1688","","","","","","1.087","","","","has coordinates","211128","2020-10-21","18:00:00",""
"4505577","10.0216","0.0018","18.327","0.004","24.871","0.005","90","","90","","90","","4568","1.6","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Li4 N2 O10 S2 -","- C18 H18 Li4 N2 O10 S2 -","- C144 H144 Li32 N16 O80 S16 -","8","1","","El Osta, Racha; Frigoli, Michel; Marrot, Jérôme; Medina, Manuela E.; Walton, Richard I.; Millange, Franck","Synthesis, Structure, and Crystallization Study of a Layered Lithium Thiophene-Dicarboxylate","Crystal Growth & Design","2012","12","3","1531","","10.1021/cg201587u","","","0.71073","MoKα","","0.0559","0.0425","","","0.1193","0.1333","","","","","","1.057","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505578","13.5182","0.0016","13.5182","0.0016","54.861","0.009","90","","90","","120","","8682","2","291","2","291","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C30 H54 Cu3 N6 O33 -","- C30 H54 Cu3 N6 O33 -","- C180 H324 Cu18 N36 O198 -","6","0.166667","","Lu, Zhiyong; Xing, Hang; Sun, Ran; Bai, Junfeng; Zheng, Baishu; Li, Yizhi","Water Stable Metal‒Organic Framework Evolutionally Formed from a Flexible Multidentate Ligand with Acylamide Groups for Selective CO2Adsorption","Crystal Growth & Design","2012","12","3","1081","","10.1021/cg201594p","","","0.71073","MoKα","","0.0827","0.0501","","","0.104","0.1101","","","","","","1.099","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505579","7.5477","0.0015","15.324","0.003","18.438","0.004","90","","94.279","0.004","90","","2126.6","0.8","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 Cu3 N6 O28 -","- C30 H44 Cu3 N6 O28 -","- C60 H88 Cu6 N12 O56 -","2","0.5","","Lu, Zhiyong; Xing, Hang; Sun, Ran; Bai, Junfeng; Zheng, Baishu; Li, Yizhi","Water Stable Metal‒Organic Framework Evolutionally Formed from a Flexible Multidentate Ligand with Acylamide Groups for Selective CO2Adsorption","Crystal Growth & Design","2012","12","3","1081","","10.1021/cg201594p","","","0.71073","MoKα","","0.0723","0.0437","","","0.0853","0.0913","","","","","","1.009","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505580","22.5019","0.0012","13.5807","0.0007","21.7291","0.0012","90","","107.542","0.001","90","","6331.4","0.6","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 Cu2 N5 O12 -","- C25 H27 Cu2 N5 O12 -","- C200 H216 Cu16 N40 O96 -","8","1","","Lu, Zhiyong; Xing, Hang; Sun, Ran; Bai, Junfeng; Zheng, Baishu; Li, Yizhi","Water Stable Metal‒Organic Framework Evolutionally Formed from a Flexible Multidentate Ligand with Acylamide Groups for Selective CO2Adsorption","Crystal Growth & Design","2012","12","3","1081","","10.1021/cg201594p","","","0.71073","MoKα","","0.08","0.0526","","","0.0901","0.0941","","","","","","1.002","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505581","11.575","0.002","12.634","0.003","14.335","0.002","101.369","0.001","102.935","0.003","96.457","0.002","1976","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H39 Cu2 N5 O16 -","- C28 H39 Cu2 N5 O16 -","- C56 H78 Cu4 N10 O32 -","2","1","","Lu, Zhiyong; Xing, Hang; Sun, Ran; Bai, Junfeng; Zheng, Baishu; Li, Yizhi","Water Stable Metal‒Organic Framework Evolutionally Formed from a Flexible Multidentate Ligand with Acylamide Groups for Selective CO2Adsorption","Crystal Growth & Design","2012","12","3","1081","","10.1021/cg201594p","","","0.71073","MoKα","","0.0763","0.0558","","","0.1196","0.1236","","","","","","1.087","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505582","17.3959","0.0006","18.1202","0.0005","25.2906","0.0007","72.424","0.003","70.744","0.003","63.2","0.003","6605.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C123 H130 Gd0.33 O34.5 P4 S5 -","- C123 H101 Gd0.33 O34.49 P4 S5 -","- C246 H202 Gd0.66 O68.98 P8 S10 -","2","1","","Ling, Irene; Alias, Yatimah; Skelton, Brian W.; Raston, Colin L.","Conformationally Flexiblep-Sulfonated Calix[5]arene Binding with Large Bis-Phosphonium Cations","Crystal Growth & Design","2012","12","3","1564","","10.1021/cg201615u","","","0.71073","MoKα","","0.1715","0.1021","","","0.2962","0.3186","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4505583","10.659","0.003","14.708","0.005","16.638","0.005","83.681","0.005","71.443","0.002","87.964","0.005","2457.7","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 Co4 N4 O21 -","- C48 H46 Co4 N4 O21 -","- C96 H92 Co8 N8 O42 -","2","1","","Ahmad, Musheer; Sharma, Manish K.; Das, Raja; Poddar, Pankaj; Bharadwaj, Parimal K.","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Co(II) Using Flexible and Rigid Nitrogen-Based Ditopic Ligands as Spacers","Crystal Growth & Design","2012","12","3","1571","","10.1021/cg201619x","","","0.71069","MoKα","","0.1111","0.0805","","","0.2182","0.2499","","","","","","1.037","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505584","8.005","0.002","10.744","0.005","14.402","0.005","97.64","0.003","91.05","0.005","109.285","0.002","1156.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Co2 N O11 -","- C22 H21 Co2 N O11 -","- C44 H42 Co4 N2 O22 -","2","1","","Ahmad, Musheer; Sharma, Manish K.; Das, Raja; Poddar, Pankaj; Bharadwaj, Parimal K.","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Co(II) Using Flexible and Rigid Nitrogen-Based Ditopic Ligands as Spacers","Crystal Growth & Design","2012","12","3","1571","","10.1021/cg201619x","","","0.71069","MoKα","","0.0419","0.0364","","","0.0917","0.0974","","","","","","1.06","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505585","9.6603","0.0014","10.6821","0.0015","11.9029","0.0017","90","","110.087","0.002","90","","1153.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Cl4 Hg2 S2 -","- C16 H26 Cl4 Hg2 S2 -","- C32 H52 Cl8 Hg4 S4 -","2","0.5","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.0221","0.0195","","","0.041","0.0423","","","","","","1.058","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505586","12.615","0.003","13.098","0.004","12.906","0.003","90","","94.987","0.004","90","","2124.4","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Br2 Hg S2 -","- C16 H26 Br2 Hg S2 -","- C64 H104 Br8 Hg4 S8 -","4","0.5","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.0276","0.0241","","","0.0553","0.0567","","","","","","1.097","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505587","18.1348","0.0019","4.6393","0.0005","18.2534","0.0019","90","","95.91","0.002","90","","1527.5","0.3","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C10 H14 Hg I2 S2 -","- C10 H14 Hg I2 S2 -","- C40 H56 Hg4 I8 S8 -","4","1","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.033","0.0293","","","0.0684","0.0701","","","","","","1.086","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505588","6.112","0.0014","11.909","0.003","12.163","0.003","76.858","0.004","80.429","0.004","77.767","0.004","836","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H26 S2 -","- C16 H26 S2 -","- C32 H52 S4 -","2","1","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.0876","0.0587","","","0.1175","0.13","","","","","","1.049","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505589","9.6413","0.0009","14.9426","0.0013","18.6698","0.0017","78.188","0.002","79.913","0.002","76.601","0.002","2537.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.5 H45 Br6 Cl Hg3 S4 -","- C44 H44 Br6 Hg3 S4 -","- C88 H88 Br12 Hg6 S8 -","2","1","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.0372","0.0279","","","0.0701","0.0733","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505590","23.622","0.003","5.8468","0.0008","11.4433","0.0016","90","","91.535","0.002","90","","1579.9","0.4","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C26 H38 Cl4 Hg2 O4 S2 -","- C22 Cl4 Hg2 S2 -","- C44 Cl8 Hg4 S4 -","2","0.25","","Carnes, Matthew E.; Lindquist, Nathan R.; Zakharov, Lev N.; Johnson, Darren W.","Counterion and Steric Effects in Self-Assembled HgX2‒Thioether Coordination Polymers","Crystal Growth & Design","2012","12","3","1579","","10.1021/cg201625c","","","0.71073","MoKα","","0.0316","0.0276","","","0.0604","0.0615","","","","","","1.078","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505591","9.3022","0.0007","11.2733","0.0008","23.9813","0.0017","100.73","0.001","93.913","0.001","91.412","0.001","2463.3","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H78 Ce2 O16 -","- C38 H78 Ce2 O16 -","- C76 H156 Ce4 O32 -","2","1","","Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul","Linear, Zigzag, and Helical Cerium(III) Coordination Polymers","Crystal Growth & Design","2012","12","3","1593","","10.1021/cg2016337","","","0.71073","MoKα","","0.059","0.0529","","","0.1391","0.1425","","","","","","1.05","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505592","20.704","0.005","7.933","0.002","32.877","0.008","90","","106.526","0.003","90","","5177","2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 Ce3 N3 O21 -","- C42 H63 Ce3 N3 O21 -","- C168 H252 Ce12 N12 O84 -","4","1","","Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul","Linear, Zigzag, and Helical Cerium(III) Coordination Polymers","Crystal Growth & Design","2012","12","3","1593","","10.1021/cg2016337","","","0.71073","MoKα","","0.034","0.0258","","","0.053","0.0584","","","","","","1.067","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505593","14.6915","0.0011","18.5748","0.0014","15.3352","0.0012","90","","113.766","0.001","90","","3830","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H54 Ce2 O16 -","- C24 H48 Ce2 O15 -","- C96 H192 Ce8 O60 -","4","1","","Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul","Linear, Zigzag, and Helical Cerium(III) Coordination Polymers","Crystal Growth & Design","2012","12","3","1593","","10.1021/cg2016337","","","0.71073","MoKα","","0.0688","0.0562","","","0.141","0.1499","","","","","","0.938","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505594","24.6004","0.0013","12.4601","0.0007","21.0665","0.0012","90","","90","","90","","6457.4","0.6","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H95 Ce3 O22 -","- C48 H95 Ce3 O22 -","- C192 H380 Ce12 O88 -","4","1","","Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul","Linear, Zigzag, and Helical Cerium(III) Coordination Polymers","Crystal Growth & Design","2012","12","3","1593","","10.1021/cg2016337","","","0.71073","MoKα","","0.0304","0.0244","","","0.057","0.0604","","","","","","1.031","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505595","27.212","0.002","13.2769","0.0011","22.3004","0.0018","90","","120.3","0.001","90","","6956.3","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H99 Ce3 O28 -","- C52 H99 Ce3 O28 -","- C208 H396 Ce12 O112 -","4","0.5","","Malaestean, Iurie L.; Kutluca-Alıcı, Meliha; Ellern, Arkady; van Leusen, Jan; Schilder, Helmut; Speldrich, Manfred; Baca, Svetlana G.; Kögerler, Paul","Linear, Zigzag, and Helical Cerium(III) Coordination Polymers","Crystal Growth & Design","2012","12","3","1593","","10.1021/cg2016337","","","0.71073","MoKα","","0.0387","0.0308","","","0.0796","0.0848","","","","","","1.145","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505596","16.8","0.0014","11.522","0.003","20.36","0.002","90","","90","0.002","90","","3941.1","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C184 H8 Co8 N32 O32 -","- C184 H120 Co8 N32 O32 -","- C184 H120 Co8 N32 O32 -","1","0.125","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.1069","0.0737","","","0.1975","0.243","","","","","","0.976","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505597","8.151","0.001","9.852","0.0012","12.035","0.0015","81.615","0.002","89.711","0.002","83.209","0.002","949.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 N4 Ni O5 -","- C23 H17 N4 Ni O5 -","- C46 H34 N8 Ni2 O10 -","2","1","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.1069","0.0783","","","0.1883","0.2062","","","","","","0.984","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505598","17.4172","0.0017","14.4595","0.0014","16.5632","0.0016","90","","99.263","0.002","90","","4116.9","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Cu N4 O4 -","- C23 H15 Cu N4 O4 -","- C184 H120 Cu8 N32 O32 -","8","1","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.0729","0.0506","","","0.1281","0.1425","","","","","","0.858","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505599","17.286","0.004","11.384","0.002","19.414","0.004","90","","90","","90","","3820.4","1.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H15 N4 O4 Zn -","- C23 H15 N4 O4 Zn -","- C184 H120 N32 O32 Zn8 -","8","1","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.1061","0.0914","","","0.1959","0.2159","","","","","","1.315","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505600","7.669","0.0005","9.5867","0.0006","10.3567","0.0007","89.12","0.001","69.859","0.001","67.531","0.001","654.64","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Cd N2 O4 -","- C14 H8 Cd N2 O4 -","- C28 H16 Cd2 N4 O8 -","2","1","","Wen, Lili; Zhao, Jinbo; Lv, Kangle; Wu, Yuhui; Deng, Kejian; Leng, Xiaoke; Li, Dongfeng","Visible-Light-Driven Photocatalysts of Metal‒Organic Frameworks Derived from Multi-Carboxylic Acid and Imidazole-Based Spacer","Crystal Growth & Design","2012","12","3","1603","","10.1021/cg2016512","","","0.71073","MoKα","","0.0235","0.0225","","","0.0567","0.0572","","","","","","1.051","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505601","11.3737","0.0004","17.9058","0.0008","17.6013","0.0007","90","","99.234","0.004","90","","3538.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co2 N6 O8 -","- C36 H26 Co2 N6 O8 -","- C72 H52 Co4 N12 O16 -","2","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Xue, Wei","From Nonporous to Porous Doubly-Pillared-Layer Framework: Control over Interpenetration via Shape Alteration of Layer Apertures","Crystal Growth & Design","2012","12","3","1626","","10.1021/cg201657q","","","1.54178","CuKα","","0.1527","0.1193","","","0.3174","0.3438","","","","","","1.07","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505602","15.1305","0.0005","17.3114","0.0006","15.8534","0.0005","90","","114.182","0.002","90","","3788.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H74 La2 N26 O43 S2 -","- C50 H60 La2 N26 O43 S2 -","- C100 H120 La4 N52 O86 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0551","0.0385","","","0.1068","0.1129","","","","","","1.04","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505603","15.1318","0.0003","17.3172","0.0006","15.8969","0.0005","90","","114.284","0.002","90","","3797","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 Ce2 N26 O42 S2 -","- C50 H56 Ce2 N26 O42 S2 -","- C100 H112 Ce4 N52 O84 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0614","0.0412","","","0.1133","0.1203","","","","","","1.036","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505604","25.4539","0.0008","17.1496","0.0005","16.3153","0.0005","90","","94.102","0.002","90","","7103.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H73 N26 Nd2 O42.5 S2 -","- C50 H73 N26 Nd2 O42.5 S2 -","- C200 H292 N104 Nd8 O170 S8 -","4","1","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0478","0.0357","","","0.0926","0.0967","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505605","14.645","0.0003","17.4413","0.0006","15.4932","0.0005","90","","114.636","0.002","90","","3597.17","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H72 Eu2 N26 O42 S2 -","- C50 H60 Eu2 N26 O42 S2 -","- C100 H120 Eu4 N52 O84 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0572","0.0365","","","0.0925","0.0985","","","","","","1.018","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505606","14.6276","0.0002","17.4349","0.0003","15.443","0.0002","90","","114.646","0.0006","90","","3579.66","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H70 Dy2 N26 O41 S2 -","- C50 H60 Dy2 N26 O41 S2 -","- C100 H120 Dy4 N52 O82 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0337","0.0273","","","0.0741","0.0763","","","","","","1.036","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505607","14.6535","0.0005","17.4352","0.0006","15.3977","0.0003","90","","114.691","0.002","90","","3574.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H70 Er2 N26 O41 S2 -","- C50 H60 Er2 N26 O41 S2 -","- C100 H120 Er4 N52 O82 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0553","0.0385","","","0.0992","0.1049","","","","","","1.037","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505608","14.6399","0.0002","17.4055","0.0002","15.4042","0.0002","90","","114.66","0.002","90","","3567.24","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H70 N26 O41 S2 Yb2 -","- C50 H60 N26 O41 S2 Yb2 -","- C100 H120 N52 O82 S4 Yb4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0347","0.0268","","","0.073","0.0754","","","","","","1.052","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505609","13.5294","0.0004","19.5106","0.0006","15.6824","0.0006","90","","103.46","0.002","90","","4025.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H86 Lu2 N26 O49 S2 -","- C50 H76 Lu2 N26 O49 S2 -","- C100 H152 Lu4 N52 O98 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0597","0.0472","","","0.1319","0.1384","","","","","","1.047","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505610","15.1723","0.0004","17.3255","0.0005","15.1843","0.0003","90","","112.784","0.002","90","","3680.01","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H65 Er2 F6 N24 O38.5 S4 -","- C52 H64 Er2 F6 N24 O38.5 S4 -","- C104 H128 Er4 F12 N48 O77 S8 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0502","0.0363","","","0.0928","0.0973","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505611","13.7752","0.0003","19.3137","0.0005","15.5268","0.0003","90","","104.392","0.002","90","","4001.27","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H84 Cl2 Er2 N24 O42 S2 -","- C50 H76 Cl2 Er2 N24 O42 S2 -","- C100 H152 Cl4 Er4 N48 O84 S4 -","2","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0568","0.0424","","","0.1162","0.1219","","","","","","1.04","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505612","10.5886","0.0002","12.7178","0.0005","13.8515","0.0007","72.399","0.002","82.545","0.003","80.328","0.003","1746.5","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 Ce2 N28 O42 S2 -","- C50 H62 Ce2 N28 O42 S2 -","- C50 H62 Ce2 N28 O42 S2 -","1","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0495","0.0364","","","0.0845","0.0885","","","","","","1.051","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505613","10.5336","0.0003","12.7121","0.0004","13.855","0.0005","72.483","0.002","82.584","0.002","80.408","0.002","1738.32","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 N28 Nd2 O42 S2 -","- C50 H62 N28 Nd2 O42 S2 -","- C50 H62 N28 Nd2 O42 S2 -","1","0.5","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0304","0.0263","","","0.0706","0.0719","","","","","","1.041","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505614","15.7142","0.0009","16.0724","0.0007","19.3805","0.0008","96.914","0.003","110.422","0.003","106.722","0.004","4258.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H93.5 N25 Nd1.5 O51.5 S3 -","- C57 H54.5 N25 Nd1.5 O51.5 S3 -","- C114 H109 N50 Nd3 O103 S6 -","2","1","","Thuéry, Pierre","Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit[6]uril","Crystal Growth & Design","2012","12","3","1632","","10.1021/cg2016808","","","0.71073","MoKα","","0.0885","0.0782","","","0.2217","0.229","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505615","13.7298","0.0006","9.1144","0.0004","14.9435","0.0006","90","","110.863","0.002","90","","1747.4","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0678","0.0577","","","0.1762","0.1864","","","","","","0.993","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505616","8.7555","0.0008","10.3506","0.001","11.388","0.0012","79.478","0.007","70.873","0.006","79.682","0.006","950.73","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C42 H52 N4 O6 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0621","0.0518","","","0.1446","0.1568","","","","","","1.053","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505617","15.7164","0.001","9.2068","0.0005","16.0795","0.001","90","","90.744","0.004","90","","2326.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C96 H112 N8 O28 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0723","0.0505","","","0.1288","0.1441","","","","","","0.706","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505618","8.0009","0.0003","9.2227","0.0003","13.6691","0.0005","90.928","0.002","102.486","0.002","103.478","0.002","955.31","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C44 H48 N4 O8 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.049","0.042","","","0.1299","0.1389","","","","","","0.926","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505619","8.0566","0.0005","33.229","0.002","9.1803","0.0007","90","","101.13","0.005","90","","2411.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N2 O6 -","- C26 H32 N2 O6 -","- C104 H128 N8 O24 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0885","0.0526","","","0.1375","0.1557","","","","","","0.806","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505620","15.309","0.003","8.9162","0.0019","15.951","0.004","90","","110.878","0.013","90","","2034.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl N2 O6 -","- C20 H23 Cl N2 O6 -","- C80 H92 Cl4 N8 O24 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.1557","0.073","","","0.1798","0.2252","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505621","15.094","0.008","15.094","0.008","48.91","0.05","90","","90","","120","","9650","12","296","2","293","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C40 H46 N4 O8 S -","- C40 H46 N4 O8 S -","- C360 H414 N36 O72 S9 -","9","0.5","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0863","0.0741","","","0.206","0.2148","","","","","","1.055","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505622","8.0024","0.0006","10.0959","0.0008","13.638","0.001","81.435","0.004","77.635","0.004","70.938","0.004","1013.53","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N2 O6 S -","- C20 H24 N2 O6 S -","- C40 H48 N4 O12 S2 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0457","0.0373","","","0.0983","0.1042","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505623","8.1285","0.0005","10.9801","0.0007","11.9948","0.0007","96.789","0.004","95.608","0.004","99.124","0.004","1042.17","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H25 B F4 N2 O3 -","- C20 H25 B F4 N2 O3 -","- C40 H50 B2 F8 N4 O6 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.0895","0.0635","","","0.1667","0.1917","","","","","","0.928","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505624","8.0447","0.0012","26.422","0.005","11.2878","0.0018","90","","126.488","0.01","90","","1929","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","An Imidazole-Based Bisphenol 2-((2-Hydroxy-3,5-dimethylphenyl)(imidazol-4-yl)methyl)-4,6-dimethylphenol: A Versatile Host for Anions","Crystal Growth & Design","2012","12","3","1671","","10.1021/cg2017215","","","0.71073","MoKα","","0.1774","0.1063","","","0.2231","0.2578","","","","","","1.083","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505625","24.388","0.003","24.388","0.003","14.249","0.002","90","","90","","120","","7339.5","1.6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H30 Co3 N4 O16 -","- C26 H34 Co3 N4 O16 -","- C234 H306 Co27 N36 O144 -","9","0.5","","Wang, Chengjie; Wang, Tao; Zhang, Wan; Lu, Huijie; Li, Gang","Two Unprecedented Transition-Metal‒Organic Frameworks Showing One Dimensional-Hexagonal Channel Open Network and Two-Dimensional Sheet Structures","Crystal Growth & Design","2012","12","3","1091","","10.1021/cg300027h","","","0.71073","MoKα","","0.1204","0.0528","","","0.099","0.1176","","","","","","0.957","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505626","21.9033","0.0016","22.7086","0.0016","21.3286","0.0016","90","","90","","90","","10608.7","1.3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C114 H90 Mn5 N18 O21 -","- C114 H90 Mn5 N18 O21 -","- C456 H360 Mn20 N72 O84 -","4","0.5","","Wang, Chengjie; Wang, Tao; Zhang, Wan; Lu, Huijie; Li, Gang","Two Unprecedented Transition-Metal‒Organic Frameworks Showing One Dimensional-Hexagonal Channel Open Network and Two-Dimensional Sheet Structures","Crystal Growth & Design","2012","12","3","1091","","10.1021/cg300027h","","","0.71073","MoKα","","0.1016","0.0542","","","0.1422","0.1718","","","","","","1.019","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505863","16.255","0.001","10.255","0.001","9.281","0.001","90","","90.54","0.01","90","","1547","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C64 H64 N8 O16 S4 -","4","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.0891","0.051","","","0.1305","0.1907","","","","","","0.869","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505864","15.768","0.001","10.321","0.001","9.594","0.001","90","","90.53","0.01","90","","1561.3","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.0995","0.0485","","","0.1068","0.1309","","","","","","1.036","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505865","16.567","0.001","10.346","0.001","9.229","0.001","90","","90.36","0.01","90","","1581.8","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O4 Se -","- C16 H16 N2 O4 Se -","- C64 H64 N8 O16 Se4 -","4","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.1489","0.0962","","","0.2098","0.2357","","","","","","1.167","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505866","10.679","0.001","4.524","0.001","18.025","0.002","90","","116.099","0.009","90","","782","0.2","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.1043","0.0572","","","0.1537","0.1837","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505867","5.741","0.001","8.219","0.001","8.838","0.001","83.59","0.01","75.06","0.01","80.87","0.01","396.73","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","1","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.1251","0.0565","","","0.1184","0.1463","","","","","","1.045","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505868","6.405","0.001","9.197","0.0001","9.482","0.0001","67.88","0.01","74.09","0.01","75.85","0.01","491.33","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","1","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.228","0.0619","","","0.0942","0.1367","","","","","","0.933","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505869","3.829","0.001","9.128","0.001","10.841","0.001","107.16","0.01","99.61","0.01","95.86","0.01","352.32","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","1","0.5","","Tsaggeos, Kostas; Masiera, Natalia; Niwicka, Aleksandra; Dokorou, Vassiliki; Siskos, Michael G.; Skoulika, Stavroula; Michaelides, Adonis","Crystal Structure, Thermal Behavior, and Photochemical Reactivity of a Series of Co-Crystals oftrans-1,2-Bis(4-pyridyl) Ethylene with Dicarboxylic Acids","Crystal Growth & Design","2012","12","5","2187","","10.1021/cg200681s","","","0.71073","MoKα","","0.1022","0.0549","","","0.1191","0.1412","","","","","","1.005","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505870","15.1324","0.0002","10.2258","0.0001","8.42153","0.00008","90","","89.997","0.007","90","","1303.16","0.02","297","","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Al4 H2 K5.8652 O26 Si8 -","- Al4 H2 K5.869 O26 Si8 -","- Al8 H4 K11.738 O52 Si16 -","2","1","","Takako, Nagase; Takuji, Ikeda; Chie, Abe; Yasuhisa, Hasegawa; Yoshimichi, Kiyozumi; Takaaki, Hanaoka","Solvothermal Synthesis of −LIT-type Zeolite","Crystal Growth & Design","2012","12","4","1752","","10.1021/cg201138f","powder diffraction","","1.54059","CuKα~1~","","0.01157","","","","","","0.01157","0.0177","1.2982","","","","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505871","9.277","0.0006","13.6193","0.0009","14.7288","0.0011","90","","90.274","0.001","90","","1860.9","0.2","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O9 Pr -","- C19 H18 N O9 Pr -","- C76 H72 N4 O36 Pr4 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0504","0.04","","","0.0753","0.0787","","","","","","1.135","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505872","9.2307","0.0004","13.6222","0.0006","14.7072","0.0007","90","","90.271","0.001","90","","1849.3","0.14","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N Nd O9 -","- C19 H18 N Nd O9 -","- C76 H72 N4 Nd4 O36 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0404","0.0337","","","0.07","0.0727","","","","","","1.103","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505873","9.2161","0.0006","13.5618","0.0009","14.6623","0.0009","90","","90.209","0.001","90","","1832.6","0.2","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O9 Sm -","- C19 H18 N O9 Sm -","- C76 H72 N4 O36 Sm4 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0535","0.0405","","","0.078","0.0824","","","","","","1.106","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505874","9.239","0.0005","13.5278","0.0008","14.6379","0.0008","90","","90.354","0.001","90","","1829.46","0.18","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Eu N O9 -","- C19 H18 Eu N O9 -","- C76 H72 Eu4 N4 O36 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0498","0.0334","","","0.0676","0.0735","","","","","","1.026","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505875","9.2275","0.0005","13.5056","0.0008","14.6122","0.0008","90","","90.328","0.001","90","","1820.99","0.18","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Gd N O9 -","- C19 H18 Gd N O9 -","- C76 H72 Gd4 N4 O36 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0333","0.0273","","","0.0561","0.0585","","","","","","1.081","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505876","9.2141","0.0004","13.4695","0.0006","14.5918","0.0006","90","","90.356","0.001","90","","1810.94","0.14","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N O9 Tb -","- C19 H18 N O9 Tb -","- C76 H72 N4 O36 Tb4 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0257","0.0218","","","0.0464","0.0481","","","","","","1.059","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505877","9.2006","0.0004","13.4378","0.0006","14.5636","0.0006","90","","90.356","0.001","90","","1800.55","0.13","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Dy N O9 -","- C19 H18 Dy N O9 -","- C76 H72 Dy4 N4 O36 -","4","1","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0302","0.0251","","","0.0534","0.0557","","","","","","1.02","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505878","15.734","0.0005","10.6914","0.0004","23.326","0.0008","90","","90","","90","","3923.9","0.2","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H43 Er2 N3 O18 -","- C40 H36 Er2 N3 O18 -","- C160 H144 Er8 N12 O72 -","4","0.5","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0304","0.0232","","","0.0554","0.0587","","","","","","1.048","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4505879","15.6958","0.0005","10.6984","0.0003","23.2644","0.0007","90","","90","","90","","3906.6","0.2","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H43 N3 O18 Tm2 -","- C40 H36 N3 O18 Tm2 -","- C160 H144 N12 O72 Tm8 -","4","0.5","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0255","0.0207","","","0.0471","0.0491","","","","","","1.026","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505880","15.6733","0.0005","10.7028","0.0003","23.2631","0.0007","90","","90","","90","","3902.3","0.2","185","2","185","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H43 N3 O18 Yb2 -","- C40 H36 N3 O18 Yb2 -","- C160 H144 N12 O72 Yb8 -","4","0.5","","Su, Shengqun; Chen, Wan; Qin, Chao; Song, Shuyan; Guo, Zhiyong; Li, Guanghua; Song, Xuezhi; Zhu, Min; Wang, Song; Hao, Zhaomin; Zhang, Hongjie","Lanthanide Anionic Metal‒Organic Frameworks Containing Semirigid Tetracarboxylate Ligands: Structure, Photoluminescence, and Magnetism","Crystal Growth & Design","2012","12","4","1808","","10.1021/cg201283a","","","0.71073","MoKα","","0.0237","0.0192","","","0.0435","0.0453","","","","","","1.032","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4505881","19.967","0.003","19.967","0.003","5.4405","0.001","90","","90","","90","","2169","0.6","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Rajbongshi, Basanta Kumar; Nair, Nisanth N.; Nethaji, M.; Ramanathan, Gurunath","Segregation into Chiral Enantiomeric Conformations of an Achiral Molecule by Concomitant Polymorphism","Crystal Growth & Design","2012","12","4","1823","","10.1021/cg201313g","","","0.71073","MoKα","","0.1238","0.065","","","0.1443","0.1903","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505882","19.9715","0.0017","19.9715","0.0017","5.4372","0.0006","90","","90","","90","","2168.7","0.4","293","2","293","2","","","","","","","","4","P 41","P 4w","76","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","1","","Rajbongshi, Basanta Kumar; Nair, Nisanth N.; Nethaji, M.; Ramanathan, Gurunath","Segregation into Chiral Enantiomeric Conformations of an Achiral Molecule by Concomitant Polymorphism","Crystal Growth & Design","2012","12","4","1823","","10.1021/cg201313g","","","0.71073","MoKα","","0.0874","0.058","","","0.1202","0.1537","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505883","10.9338","0.001","12.3885","0.0012","9.6317","0.0009","90","","94.873","0.002","90","","1299.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O5 S Zn -","- C13 H9 N O5 S Zn -","- C52 H36 N4 O20 S4 Zn4 -","4","1","","Zang, Shuang-Quan; Cao, Li-Hui; Liang, Ran; Hou, Hong-Wei; Mak, Thomas C. W.","Divalent Zinc, Cobalt, and Cadmium Coordination Polymers of a New Flexible Trifunctional Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","4","1830","","10.1021/cg2013733","","","0.71073","MoKα","","0.0428","0.035","","","0.0863","0.0898","","","","","","1.035","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505884","16.5392","0.001","15.5258","0.0009","10.0965","0.0003","90","","91.596","0.004","90","","2591.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Co2 N2 O9 S2 -","- C26 H16 Co2 N2 O9 S2 -","- C104 H64 Co8 N8 O36 S8 -","4","1","","Zang, Shuang-Quan; Cao, Li-Hui; Liang, Ran; Hou, Hong-Wei; Mak, Thomas C. W.","Divalent Zinc, Cobalt, and Cadmium Coordination Polymers of a New Flexible Trifunctional Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","4","1830","","10.1021/cg2013733","","","0.71073","MoKα","","0.1102","0.0996","","","0.2833","0.2903","","","","","","1.073","","","","has coordinates,has disorder","179594","2020-10-21","18:00:00",""
"4505885","19.436","0.006","14.183","0.003","10.148","0.002","90","","110.1","0.03","90","","2627","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cd2 N2 O9 S2 -","- C26 H16 Cd2 N2 O9 S2 -","- C104 H64 Cd8 N8 O36 S8 -","4","0.5","","Zang, Shuang-Quan; Cao, Li-Hui; Liang, Ran; Hou, Hong-Wei; Mak, Thomas C. W.","Divalent Zinc, Cobalt, and Cadmium Coordination Polymers of a New Flexible Trifunctional Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","4","1830","","10.1021/cg2013733","","","0.71073","MoKα","","0.049","0.0425","","","0.1158","0.1218","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505886","9.8643","0.0002","9.1412","0.0002","18.1501","0.0004","90","","103.47","0.002","90","","1591.6","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Yan, Yan; Chen, Jia-Mei; Geng, Na; Lu, Tong-Bu","Improving the Solubility of Agomelatine via Cocrystals","Crystal Growth & Design","2012","12","5","2226","","10.1021/cg201423q","","","1.54178","CuKα","","0.0354","0.0304","","","0.0803","0.0852","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505887","13.3924","0.0004","7.1702","0.0002","18.008","0.0005","90","","111.24","0.003","90","","1611.77","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Yan, Yan; Chen, Jia-Mei; Geng, Na; Lu, Tong-Bu","Improving the Solubility of Agomelatine via Cocrystals","Crystal Growth & Design","2012","12","5","2226","","10.1021/cg201423q","","","1.54178","CuKα","","0.0508","0.0384","","","0.0974","0.1039","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505888","7.9754","0.0001","8.9243","0.0002","27.785","0.0004","90","","90","","90","","1977.59","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C84 H92 N12 O12 -","4","1","","Yan, Yan; Chen, Jia-Mei; Geng, Na; Lu, Tong-Bu","Improving the Solubility of Agomelatine via Cocrystals","Crystal Growth & Design","2012","12","5","2226","","10.1021/cg201423q","","","1.54178","CuKα","","0.056","0.045","","","0.1144","0.1427","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505889","9.4475","0.0013","11.1603","0.0017","11.2471","0.0016","94.415","0.012","103.739","0.012","109.702","0.013","1068.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C46 H50 N2 O10 -","2","1","","Yan, Yan; Chen, Jia-Mei; Geng, Na; Lu, Tong-Bu","Improving the Solubility of Agomelatine via Cocrystals","Crystal Growth & Design","2012","12","5","2226","","10.1021/cg201423q","","","1.54178","CuKα","","0.0827","0.0584","","","0.1643","0.1882","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505890","8.723","0.002","11.689","0.002","11.205","0.002","90","","106.56","0.02","90","","1095.1","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 N5 -","- C9 H17 N5 -","- C36 H68 N20 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.0595","0.041","","","0.093","0.1007","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505891","10.5732","0.0011","13.739","0.002","16.5878","0.0018","90","","90","","90","","2409.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N3 S -","- C10 H17 N3 S -","- C80 H136 N24 S8 -","8","2","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.1044","0.0671","","","0.1241","0.1368","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505892","7.1066","0.0015","20.285","0.003","9.274","0.002","90","","110.168","0.016","90","","1254.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.116","0.0569","","","0.1075","0.131","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505893","8.8562","0.0005","9.4412","0.0004","13.3806","0.0006","75.251","0.003","86.185","0.003","86.496","0.003","1078.4","0.09","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H17 Cl9 N2 Ti2 -","- C9 H17 Cl9 N2 Ti2 -","- C18 H34 Cl18 N4 Ti4 -","2","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71073","MoKα","","0.037","0.0288","","","0.061","0.0651","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4505894","10.071","0.005","15.568","0.005","17.737","0.005","90","","92.127","0.005","90","","2779","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Ce Cl6 N4 -","- C18 H34 Ce Cl6 N4 -","- C72 H136 Ce4 Cl24 N16 -","4","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.0839","0.056","","","0.0695","0.1419","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4505895","9.1026","0.0009","13.6901","0.0017","20.269","0.002","90","","90","","90","","2525.8","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H17 Cl Cu N3 -","- C10 H17 Cl Cu N3 -","- C80 H136 Cl8 Cu8 N24 -","8","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.0568","0.0419","","","0.096","0.1031","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505896","28.3294","0.0003","28.3294","0.0008","7.2009","0.0005","90","","90","","120","","5004.9","0.4","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9.33 H17 Cl0.67 N2.33 -","- C9.33 H17 Cl0.67 N2.33 -","- C167.94 H306 Cl12.06 N41.94 -","18","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71073","MoKα","","0.0724","0.0564","","","0.1467","0.1597","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505897","28.247","0.001","28.247","0.002","7.301","0.002","90","","90","","120","","5045","1.4","233","2","233","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C9 H17 Cl0.3 N4.1 -","- C9 H17 Cl0.3 N4.1 -","- C162 H306 Cl5.4 N73.8 -","18","1","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71073","MoKα","","0.085","0.0631","","","0.1567","0.174","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505898","8.5502","0.0002","20.0981","0.0004","12.8744","0.0003","90","","99.403","0.001","90","","2182.65","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O4 Zn -","- C24 H18 N2 O4 Zn -","- C96 H72 N8 O16 Zn4 -","4","1","","Sun, Qian; Wang, Yan-Qin; Cheng, Ai-Ling; Wang, Kun; Gao, En-Qing","Entangled Metal‒Organic Frameworks ofm-Phenylenediacrylate Modulated by Bis(pyridyl) Ligands","Crystal Growth & Design","2012","12","5","2234","","10.1021/cg201432w","","","0.71073","MoKα","","0.0473","0.0308","","","0.0743","0.0822","","","","","","1.006","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505899","8.605","0.011","11.526","0.014","12.862","0.016","113.698","0.017","99.844","0.017","101.204","0.017","1101","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N2 O4 Zn -","- C24 H20 N2 O4 Zn -","- C48 H40 N4 O8 Zn2 -","2","1","","Sun, Qian; Wang, Yan-Qin; Cheng, Ai-Ling; Wang, Kun; Gao, En-Qing","Entangled Metal‒Organic Frameworks ofm-Phenylenediacrylate Modulated by Bis(pyridyl) Ligands","Crystal Growth & Design","2012","12","5","2234","","10.1021/cg201432w","","","0.71073","MoKα","","0.0717","0.0513","","","0.1354","0.1517","","","","","","0.865","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505900","18.8968","0.0007","16.8266","0.0006","16.1483","0.0006","90","","108.349","0.001","90","","4873.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 N2 O6.5 Zn -","- C25 H27 N2 O6.5 Zn -","- C200 H216 N16 O52 Zn8 -","8","1","","Sun, Qian; Wang, Yan-Qin; Cheng, Ai-Ling; Wang, Kun; Gao, En-Qing","Entangled Metal‒Organic Frameworks ofm-Phenylenediacrylate Modulated by Bis(pyridyl) Ligands","Crystal Growth & Design","2012","12","5","2234","","10.1021/cg201432w","","","0.71073","MoKα","","0.0721","0.0565","","","0.1532","0.1681","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505901","5.9953","0.0005","7.2024","0.0006","44.908","0.004","90","","90","","90","","1939.2","0.3","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","1","","Nishiguchi, Noriaki; Kinuta, Takafumi; Sato, Tomohiro; Nakano, Yoko; Harada, Takunori; Tajima, Nobuo; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Novel Means of Controlling the Solid-State Circular Dichroism Property in a Supramolecular Organic Fluorophore Comprising 4-[2-(Methylphenyl)ethynyl]benzoic Acid by Varying the Position of the Methyl Substituent","Crystal Growth & Design","2012","12","4","1859","","10.1021/cg201496j","","","0.71073","MoKα","","0.0441","0.0418","","","0.098","0.0991","","","","","","1.116","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505902","7.2507","0.0017","6.0916","0.0015","22.013","0.005","90","","92.607","0.003","90","","971.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C48 H46 N2 O4 -","2","1","","Nishiguchi, Noriaki; Kinuta, Takafumi; Sato, Tomohiro; Nakano, Yoko; Harada, Takunori; Tajima, Nobuo; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Novel Means of Controlling the Solid-State Circular Dichroism Property in a Supramolecular Organic Fluorophore Comprising 4-[2-(Methylphenyl)ethynyl]benzoic Acid by Varying the Position of the Methyl Substituent","Crystal Growth & Design","2012","12","4","1859","","10.1021/cg201496j","","","0.71075","MoKα","","0.0413","0.0391","","","0.1064","0.108","","","","","","1.103","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505903","31.7204","0.001","31.7204","0.001","13.7906","0.0006","90","","90","","90","","13875.9","0.9","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","tris(2,2'-bipyridine-4,4'-diamine)cadmium(II) chloride hydrate","","- C30 H35.5 Cd Cl2 N12 O2.75 -","- C30 H30 Cd Cl2 N12 O2.75 -","- C480 H480 Cd16 Cl32 N192 O44 -","16","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.0742","0.0524","","","0.1372","0.1546","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505904","21.842","0.002","13.315","0.0015","36.123","0.004","90","","113.986","0.007","90","","9598.3","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[tris(2,2'-bipyridine-4,4'-diamine)nickel(II)] diphenyl-4-carboxylate-4'-carboxylic acid diphenyl-4,4'-dicarboxylate","","- C51 H43 N12 Ni O6 -","- C51 H43 N12 Ni O6 -","- C204 H172 N48 Ni4 O24 -","4","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.1401","0.0865","","","0.2048","0.2258","","","","","","0.887","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505905","23.127","0.003","12.6717","0.0018","23.131","0.003","90","","105.523","0.005","90","","6531.5","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[tris(2,2'-bipyridine-4,4'-diamine)nickel(II)] diphenyl-4,4'-dicarboxylate dimethylformamide clathrate","","- C50 H52 N14 Ni O6 -","- C50 H52 N14 Ni O6 -","- C200 H208 N56 Ni4 O24 -","4","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.1515","0.0963","","","0.218","0.2369","","","","","","1.297","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505906","15.6484","0.0014","12.5861","0.001","27.588","0.002","90","","93.584","0.003","90","","5422.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[tris(2,2'-bipyridine-4,4'-diamine)nickel(II)] benzene-1,3-dicarboxylate-5-carboxylic acid dimethylformamide clathrate","","- C51 H62 N16 Ni O10 -","- C51 H62 N16 Ni O10 -","- C204 H248 N64 Ni4 O40 -","4","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.1598","0.0757","","","0.1575","0.1945","","","","","","1.01","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505907","13.494","0.0011","14.8619","0.0012","19.7828","0.0016","90","","97.864","0.004","90","","3930.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[tetra(2,2'-bipyridine-4,4'-diamine)(terepthalate)dicopper(II)] nitrate dimethylformamide clathrate","","- C63 H79 Cu2 N23 O15 -","- C63 H79 Cu2 N23 O15 -","- C126 H158 Cu4 N46 O30 -","2","0.5","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.0996","0.0715","","","0.2243","0.2513","","","","","","1.053","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505908","15.1668","0.0008","15.4442","0.0008","17.4682","0.001","100.105","0.002","91.346","0.002","119.165","0.001","3489.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[tetra(2,2'-bipyridine-4,4'-diamine)(terepthalate)dicopper(II)] nitrate dimethylformamide clathrate hydrate","","- C61.5 H73.5 Cu2 N22.5 O15.5 -","- C61.5 H72 Cu2 N22.5 O15.5 -","- C123 H144 Cu4 N45 O31 -","2","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.0896","0.0541","","","0.1417","0.1545","","","","","","0.936","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505909","10.7038","0.0007","34.312","0.002","20.5328","0.0011","90","","103.605","0.003","90","","7329.5","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[tris(2,2'-bipyridine-4,4'-diamine)(nitrato)cobalt(II)] nitrate dimethylformamide clathrate","","- C53.5 H71.5 Co2 N24.5 O16.5 -","- C53.5 H71.5 Co2 N24.5 O16.5 -","- C214 H286 Co8 N98 O66 -","4","1","","Rigby, Nicola; Jacobs, Tia; Reddy, Jayarama Prakasha; Hardie, Michaele J.","Metal Complexes of 2,2′-Bipyridine-4,4′-diamine as Metallo-Tectons for Hydrogen Bonded Networks","Crystal Growth & Design","2012","12","4","1871","","10.1021/cg201512q","","","0.71073","MoKα","","0.1356","0.0987","","","0.2771","0.3102","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505910","11.0529","0.001","13.3248","0.001","13.3632","0.0008","100.674","0.006","94.942","0.006","99.9","0.007","1891","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H44 Ag3.52 Mo8 N14 Na0.48 O27 -","- C54 H42 Ag3.516 Mo8 N14 Na0.484 O27 -","- C54 H42 Ag3.516 Mo8 N14 Na0.484 O27 -","1","0.5","","Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","pH-Controlled Assembly of Two Unusual Entangled Motifs Based on a Tridentate Ligand and Octamolybdate Clusters: 1D + 1D →3D Poly-Pseudorotaxane and 2D →2D →3D Polycatenation","Crystal Growth & Design","2012","12","5","2272","","10.1021/cg201555f","","","1.54184","CuKα","","0.1131","0.0657","","","0.1549","0.1774","","","","","","0.905","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505911","13.0784","0.0003","15.6015","0.0006","18.7501","0.0007","69.258","0.003","85.174","0.002","73.439","0.002","3428.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H91 Ag6 Mo16 N28 O57 -","- C108 H88 Ag6 Mo16 N28 O57 -","- C108 H88 Ag6 Mo16 N28 O57 -","1","0.5","","Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","pH-Controlled Assembly of Two Unusual Entangled Motifs Based on a Tridentate Ligand and Octamolybdate Clusters: 1D + 1D →3D Poly-Pseudorotaxane and 2D →2D →3D Polycatenation","Crystal Growth & Design","2012","12","5","2272","","10.1021/cg201555f","","","0.71073","MoKα","","0.0852","0.0367","","","0.0562","0.0612","","","","","","0.832","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505912","7.746","0.007","12.245","0.011","11.243","0.01","90","","109.523","0.001","90","","1005.1","1.6","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","'2,2'-dihydroxybenzophenone","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.71073","MoKα","","0.0608","0.0578","","","","0.1585","","","","","","1.104","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505913","7.211","0.003","19.098","0.009","7.513","0.003","90","","92.835","0.007","90","","1033.4","0.8","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,4-dihydroxybenzophenone","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.71073","MoKα","","0.0464","0.0435","","","","0.1227","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505914","8.879","0.007","8.56","0.006","10.304","0.008","90","","109.644","0.011","90","","737.6","1","180","2","180","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","4,13-diaza-18-crown-6","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C24 H52 N4 O8 -","2","0.5","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.71073","MoKα","","0.0799","0.0717","","","","0.1995","","","","","","1.11","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505915","8.1924","0.0003","10.0165","0.0003","11.7164","0.0005","106.969","0.002","94.936","0.002","90.313","0.002","915.7","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","2,2'-dihydroxybenzophenone, 4,13-diaza-18-crown-6","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","1","0.5","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.7107","MoKα","","0.0818","0.0434","","","0.0986","0.113","","","","","","1.051","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505916","9.7905","0.0007","9.9569","0.0008","10.8028","0.0009","63.925","0.004","72.701","0.004","87.72","0.004","898.03","0.13","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","2,4-dihydroxybenzophenone, 4,13-diaza-18-crown-6","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","1","0.5","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.7107","MoKα","","0.0963","0.0501","","","0.1117","0.1325","","","","","","1.038","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505917","8.6935","0.0002","10.306","0.0002","15.8548","0.0002","90.4906","0.0011","104.433","0.0011","111.062","0.0009","1276.19","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","4,4'-dihydroxybenzophenone, 4,13-diaza-18-crown-6","","- C25 H36 N2 O7 -","- C25 H36 N2 O7 -","- C50 H72 N4 O14 -","2","1","","Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan","Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies","Crystal Growth & Design","2012","12","5","2277","","10.1021/cg201558h","","","0.7107","MoKα","","0.0548","0.0387","","","0.0908","0.0991","","","","","","1.031","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505918","10.769","0.005","31.913","0.005","17.493","0.005","90","0.005","90.805","0.005","90","0.005","6011","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H43 Ag7 N8 O22 -","- C63 H43 Ag7 N8 O22 -","- C252 H172 Ag28 N32 O88 -","4","1","","Kan, Wei-Qiu; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Highly Connected Metal‒Organic Frameworks Based on Triangular Ligands and d10Metals: Syntheses, Structures, Photoluminescence, and Photocatalysis","Crystal Growth & Design","2012","12","5","2288","","10.1021/cg2015644","","","0.71069","MoKα","","0.0448","0.0341","","","0.0679","0.0726","","","","","","1.058","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505919","9.978","0.005","15.705","0.005","16.4","0.005","91.537","0.005","100.822","0.005","106.832","0.005","2407.1","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H33 Cd3 N8 Na O16 -","- C47 H33 Cd3 N8 Na O16 -","- C94 H66 Cd6 N16 Na2 O32 -","2","1","","Kan, Wei-Qiu; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Highly Connected Metal‒Organic Frameworks Based on Triangular Ligands and d10Metals: Syntheses, Structures, Photoluminescence, and Photocatalysis","Crystal Growth & Design","2012","12","5","2288","","10.1021/cg2015644","","","0.71069","MoKα","","0.0996","0.0589","","","0.1032","0.1207","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505920","8.548","0.005","19.599","0.005","20.74","0.005","108.107","0.005","95.042","0.005","96.301","0.005","3255","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H53 Cd3 N16 O19.5 -","- C62 H53 Cd3 N16 O19.5 -","- C124 H106 Cd6 N32 O39 -","2","1","","Kan, Wei-Qiu; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Highly Connected Metal‒Organic Frameworks Based on Triangular Ligands and d10Metals: Syntheses, Structures, Photoluminescence, and Photocatalysis","Crystal Growth & Design","2012","12","5","2288","","10.1021/cg2015644","","","0.71069","MoKα","","0.089","0.0492","","","0.0852","0.1002","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505921","13.424","0.005","15.123","0.005","15.702","0.005","79.627","0.005","75.548","0.005","80.163","0.005","3009.7","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H47 Cd3 N16 O16.5 -","- C62 H47 Cd3 N16 O16.5 -","- C124 H94 Cd6 N32 O33 -","2","1","","Kan, Wei-Qiu; Liu, Bo; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Highly Connected Metal‒Organic Frameworks Based on Triangular Ligands and d10Metals: Syntheses, Structures, Photoluminescence, and Photocatalysis","Crystal Growth & Design","2012","12","5","2288","","10.1021/cg2015644","","","0.71069","MoKα","","0.0815","0.0469","","","0.072","0.0847","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505922","8.867","0.0018","10.512","0.002","11.51","0.002","81.57","0.03","81.38","0.03","66.73","0.03","969.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Co N6 O7 -","- C16 H20 Co N6 O7 -","- C32 H40 Co2 N12 O14 -","2","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0281","0.0254","","","0.0639","0.0651","","","","","","1.056","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505923","8.444","0.0017","10.685","0.002","11.195","0.002","85.47","0.03","81.33","0.03","67.78","0.03","924.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Co N5 O7 -","- C16 H19 Co N5 O7 -","- C32 H38 Co2 N10 O14 -","2","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0865","0.0646","","","0.1078","0.1148","","","","","","1.06","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505924","8.444","0.0017","10.685","0.002","11.195","0.002","85.47","0.03","81.33","0.03","67.78","0.03","924.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 N5 Ni O7 -","- C16 H19 N5 Ni O7 -","- C32 H38 N10 Ni2 O14 -","2","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0747","0.0536","","","0.0972","0.1038","","","","","","0.981","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505925","7.489","0.0015","7.923","0.0016","12.346","0.003","86.9","0.03","83.76","0.03","76.95","0.03","709.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cd N10 O6 -","- C28 H26 Cd N10 O6 -","- C28 H26 Cd N10 O6 -","1","0.5","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0413","0.0396","","","0.0974","0.0986","","","","","","0.988","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505926","20.193","0.004","13.758","0.003","7.21","0.0014","90","","90","","90","","2003","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H21 Co N5 O8 -","- C16 H21 Co N5 O8 -","- C64 H84 Co4 N20 O32 -","4","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0906","0.0745","","","0.1612","0.1684","","","","","","1.194","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505927","14.52","0.003","7.166","0.0014","15.901","0.003","90","","97.63","0.03","90","","1639.9","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H13 N5 O4 Zn -","- C16 H13 N5 O4 Zn -","- C64 H52 N20 O16 Zn4 -","4","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0506","0.0365","","","0.0807","0.0838","","","","","","0.994","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505928","12.599","0.003","7.68","0.0015","14.33","0.003","90","","94.19","0.03","90","","1382.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N5 O3 Zn -","- C14 H12 N5 O3 Zn -","- C56 H48 N20 O12 Zn4 -","4","1","","Huang, Fu-Ping; Zhang, Qian; Yu, Qing; Bian, He-Dong; Liang, Hong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination Assemblies of CoII/NiII/ ZnII/CdIIwith Succinic Acid and Bent Connectors: Structural Diversity and Spin-Canted Antiferromagnetism","Crystal Growth & Design","2012","12","4","1890","","10.1021/cg201577w","","","0.71073","MoKα","","0.0472","0.0395","","","0.0904","0.0941","","","","","","1.024","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505929","7.6017","0.0016","9.873","0.002","12.05","0.003","91.991","0.004","93.712","0.004","96.626","0.004","895.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Mn N6 O5 -","- C17 H12 Mn N6 O5 -","- C34 H24 Mn2 N12 O10 -","2","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71073","MoKα","","0.0502","0.046","","","0.1264","0.1292","","","","","","1.073","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505930","11.841","0.004","15.942","0.006","13.104","0.004","90","","102.542","0.007","90","","2414.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N6 O7 Zn2 -","- C23 H15 N6 O7 Zn2 -","- C92 H60 N24 O28 Zn8 -","4","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71073","MoKα","","0.0866","0.0615","","","0.1479","0.1575","","","","","","1.029","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505931","13.4051","0.0013","11.8197","0.0012","20.186","0.0015","90","","127.807","0.004","90","","2527","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C25 H26 Co N6 O7 -","- C25 H20 Co N6 O7 -","- C100 H80 Co4 N24 O28 -","4","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71073","MoKα","","0.0881","0.0605","","","0.1179","0.1282","","","","","","1.01","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505932","13.4","0.002","12.5628","0.0017","14.279","0.003","90","","107.719","0.007","90","","2289.7","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Ni(B)(1,4-PBA)]","","- C25 H20 N6 Ni O4 -","- C25 H20 N6 Ni O4 -","- C100 H80 N24 Ni4 O16 -","4","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71075","MoKα","","0.0421","0.0346","","","0.0816","0.084","","","","","","1.08","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505933","8.6962","0.001","9.3262","0.0011","15.8629","0.0019","74.271","0.002","75.232","0.002","80.071","0.002","1190","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Co N6 O6 -","- C25 H20 Co N6 O6 -","- C50 H40 Co2 N12 O12 -","2","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71073","MoKα","","0.0477","0.043","","","0.1256","0.1286","","","","","","1.089","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505934","8.4623","0.0009","21.721","0.002","29.534","0.003","90","","90","","90","","5428.6","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H23 Co2 N6 O6 -","- C30 H23 Co2 N6 O6 -","- C240 H184 Co16 N48 O48 -","8","1","","Chen, Shui-Sheng; Chen, Zhi-Hao; Fan, Jian; Okamura, Taka-aki; Bai, Zheng-Shuai; Lv, Mei-Fang; Sun, Wei-Yin","Synthesis and Characterization of Metal Complexes with Mixed 4-Imidazole-Containing Tripodal Ligand and Varied Dicarboxylic Acid","Crystal Growth & Design","2012","12","5","2315","","10.1021/cg2016275","","","0.71073","MoKα","","0.0487","0.0388","","","0.0947","0.0972","","","","","","1.023","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505935","16.083","0.005","9.929","0.003","19.757","0.006","90","","99.919","0.006","90","","3107.8","1.6","230","2","230","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","2","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.1933","0.07","","","0.1615","0.224","","","","","","0.84","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505936","9.1235","0.0009","15.5263","0.0016","17.465","0.002","90","","99.508","0.003","90","","2440","0.4","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cl6 N10 O2 Pd3 -","- C38 H50 Cl6 N10 O2 Pd3 -","- C76 H100 Cl12 N20 O4 Pd6 -","2","0.5","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0368","0.0282","","","0.0812","0.0986","","","","","","1.194","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505937","11.949","0.003","26.138","0.006","16.17","0.003","90","","102.883","0.012","90","","4923.1","1.9","230","2","230","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H43 B3 F12 N10 Pd3 -","- C36 H43 B3 F12 N10 Pd3 -","- C144 H172 B12 F48 N40 Pd12 -","4","1","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0984","0.0595","","","0.1556","0.1778","","","","","","0.927","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505938","10.0566","0.0004","14.3393","0.0005","20.4904","0.0005","79.761","0.002","89.847","0.002","73.098","0.002","2778.38","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H66 B3 F12 N10 O1.5 Pd3 -","- C47 H66 B3 F12 N10 O1.5 Pd3 -","- C94 H132 B6 F24 N20 O3 Pd6 -","2","1","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0455","0.0331","","","0.0683","0.0739","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505939","12.143","0.0005","12.948","0.0005","21.062","0.0008","88.99","0.002","81.93","0.002","81.516","0.002","3242.8","0.2","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H57 Cl6 Co3 N15 O5 -","- C39 H57 Cl6 Co3 N15 O5 -","- C78 H114 Cl12 Co6 N30 O10 -","2","1","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0683","0.0487","","","0.1408","0.1551","","","","","","0.831","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505940","21.9957","0.0013","12.939","0.0006","25.1838","0.0015","90","","113.445","0.003","90","","6575.6","0.6","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H78 N22 Ni2 O20 -","- C48 H78 N22 Ni2 O20 -","- C192 H312 N88 Ni8 O80 -","4","1","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.1611","0.0664","","","0.1556","0.2037","","","","","","0.932","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505941","10.1334","0.0012","13.8385","0.0006","13.9286","0.0006","115.96","0.004","95.722","0.005","103.508","0.005","1661.4","0.2","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H73 N19 Ni2 O17 -","- C47 H73 N19 Ni2 O17 -","- C47 H73 N19 Ni2 O17 -","1","0.5","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0926","0.0689","","","0.2109","0.2351","","","","","","1.101","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505942","11.8548","0.0006","22.3888","0.001","19.324","0.0009","90","","103.487","0.003","90","","4987.4","0.4","230","2","230","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 N16 O14 Zn2 -","- C30 H36 N16 O14 Zn2 -","- C120 H144 N64 O56 Zn8 -","4","0.5","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0615","0.0436","","","0.1098","0.1185","","","","","","0.96","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505943","24.4659","0.0019","10.4265","0.0007","17.4828","0.001","90","","91.497","0.005","90","","4458.2","0.5","230","2","230","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Ag2 F4 N10 O4.5 P2 -","- C26 H26 Ag2 F4 N10 O4.5 P2 -","- C104 H104 Ag8 F16 N40 O18 P8 -","4","0.5","","Carrión, M. Carmen; Durá, Gema; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","Polynuclear Complexes Containing Ditopic Bispyrazolylmethane Ligands. Influence of Metal Geometry and Supramolecular Interactions","Crystal Growth & Design","2012","12","4","1952","","10.1021/cg201677s","","","0.71073","MoKα","","0.0883","0.0644","","","0.2005","0.2173","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505944","25.9645","0.0005","22.234","0.0004","18.8042","0.0003","90","","92.098","0.001","90","","10848.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H102 Cd7 N16 O34 -","- C90 H88 Cd7 N16 O34 -","- C360 H352 Cd28 N64 O136 -","4","1","","Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Liu, Hui-Jin; Zhong, Jin-Lian; Wang, Ke-Jun; Lu, Tong-Bu","Two Cadmium-Cluster-Based Metal‒Organic Frameworks with Mixed Ligands of 1,2,3-Benzenetriazole (HBTA) and 1,4-Benzenedicarboxylic acid (H2BDC)","Crystal Growth & Design","2012","12","4","1992","","10.1021/cg2016963","","","0.71073","MoKα","","0.0647","0.045","","","0.1551","0.1817","","","","","","1.061","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505945","24.1035","0.0006","24.512","0.0007","16.857","0.0005","90","","124.65","0.001","90","","8193.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H80 Cd5 N24 O17 -","- C70 H74 Cd5 N24 O17 -","- C280 H296 Cd20 N96 O68 -","4","0.5","","Zhong, Di-Chang; Deng, Ji-Hua; Luo, Xu-Zhong; Liu, Hui-Jin; Zhong, Jin-Lian; Wang, Ke-Jun; Lu, Tong-Bu","Two Cadmium-Cluster-Based Metal‒Organic Frameworks with Mixed Ligands of 1,2,3-Benzenetriazole (HBTA) and 1,4-Benzenedicarboxylic acid (H2BDC)","Crystal Growth & Design","2012","12","4","1992","","10.1021/cg2016963","","","0.71073","MoKα","","0.0383","0.0345","","","0.0854","0.0941","","","","","","1.101","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505946","9.9436","0.0003","21.1136","0.0005","7.2741","0.0003","90","","106.716","0.003","90","","1462.63","0.09","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 Cu O9 P2 -","- C8 Cu O9 P2 -","- C32 Cu4 O36 P8 -","4","1","","Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo; Sangregorio, Claudio; Sorace, Lorenzo; Castelli, Lisa","Influence of π‒π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study","Crystal Growth & Design","2012","12","5","2327","","10.1021/cg201706p","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.09453","","4.04","","","","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505947","7.7249","0.00034","7.93093","0.00025","17.7798","0.0004","100.146","0.0033","91.0311","0.0027","106.192","0.0028","1027.12","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 Cu N2 O8 P2 -","- C18 Cu N2 O8 P2 -","- C36 Cu2 N4 O16 P4 -","2","1","","Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo; Sangregorio, Claudio; Sorace, Lorenzo; Castelli, Lisa","Influence of π‒π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study","Crystal Growth & Design","2012","12","5","2327","","10.1021/cg201706p","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.1346","","4.97","","","","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505948","8.5677","0.0005","8.8858","0.0007","13.8837","0.0006","87.271","0.006","79.774","0.004","65.615","0.004","947.01","0.11","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C18 Cu N2 O6 P2 -","- C18 Cu N2 O6 P2 -","- C36 Cu2 N4 O12 P4 -","2","1","","Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo; Sangregorio, Claudio; Sorace, Lorenzo; Castelli, Lisa","Influence of π‒π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study","Crystal Growth & Design","2012","12","5","2327","","10.1021/cg201706p","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.08313","","4.54","","","","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505949","16.6996","0.0003","11.1387","0.0002","11.4147","0.0001","90","","96.071","0.002","90","","2111.36","0.06","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 Cu N2 O8 P2 -","- C18 Cu N2 O8 P2 -","- C72 Cu4 N8 O32 P8 -","4","1","","Taddei, Marco; Costantino, Ferdinando; Vivani, Riccardo; Sangregorio, Claudio; Sorace, Lorenzo; Castelli, Lisa","Influence of π‒π Stacking Interactions on the Assembly of Layered Copper Phosphonate Coordination Polymers: Combined Powder Diffraction and Electron Paramagnetic Resonance Study","Crystal Growth & Design","2012","12","5","2327","","10.1021/cg201706p","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.05496","","2.5","","","","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505950","11.316","0.0003","17.8157","0.0005","7.1635","0.0002","90","","118.972","0.001","90","","1263.45","0.06","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C9 H15 Gd O12 -","- C9 H15 Gd O12 -","- C36 H60 Gd4 O48 -","4","1","","Davies, Kate; Bourne, Susan A.; Oliver, Clive L.","Solvent- and Vapor-Mediated Solid-State Transformations in 1,3,5-Benzenetricarboxylate Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","4","1999","","10.1021/cg201707e","","","0.71073","MoKα","","0.0263","0.0243","","","0.0544","0.0558","","","","","","1.076","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505951","9.4732","0.0019","16.447","0.003","12.033","0.003","90","","95.48","0.004","90","","1866.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cd N3 O6 -","- C18 H19 Cd N3 O6 -","- C72 H76 Cd4 N12 O24 -","4","1","","Liu, Fu-Jing; Hao, Hong-Jun; Sun, Cheng-Jie; Lin, Xiao-Hang; Chen, Hao-Peng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, Structures, and Photoluminescences of Four Cd(II) Coordination Architectures Based on 1-(4-Pyridylmethyl)-2-methylimidazole and Aromatic Carboxylates: From One-Dimensional Chain to Three-Dimensional Coordination Architecture","Crystal Growth & Design","2012","12","4","2004","","10.1021/cg201708x","","","0.71073","MoKα","","0.0415","0.035","","","0.0838","0.0878","","","","","","0.869","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505952","12.395","0.003","12.876","0.003","16.525","0.004","74.44","0.004","74.126","0.006","88.73","0.006","2440.1","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cd Cl2 N3 O4 -","- C24 H19 Cd Cl2 N3 O4 -","- C96 H76 Cd4 Cl8 N12 O16 -","4","2","","Liu, Fu-Jing; Hao, Hong-Jun; Sun, Cheng-Jie; Lin, Xiao-Hang; Chen, Hao-Peng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, Structures, and Photoluminescences of Four Cd(II) Coordination Architectures Based on 1-(4-Pyridylmethyl)-2-methylimidazole and Aromatic Carboxylates: From One-Dimensional Chain to Three-Dimensional Coordination Architecture","Crystal Growth & Design","2012","12","4","2004","","10.1021/cg201708x","","","0.71073","MoKα","","0.0942","0.0798","","","0.1978","0.2081","","","","","","1.11","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505953","19.301","0.003","12.677","0.002","19.591","0.003","90","","115.071","0.003","90","","4341.9","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H100 Cd3 N6 O12 -","- C86 H100 Cd3 N6 O12 -","- C172 H200 Cd6 N12 O24 -","2","0.5","","Liu, Fu-Jing; Hao, Hong-Jun; Sun, Cheng-Jie; Lin, Xiao-Hang; Chen, Hao-Peng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, Structures, and Photoluminescences of Four Cd(II) Coordination Architectures Based on 1-(4-Pyridylmethyl)-2-methylimidazole and Aromatic Carboxylates: From One-Dimensional Chain to Three-Dimensional Coordination Architecture","Crystal Growth & Design","2012","12","4","2004","","10.1021/cg201708x","","","0.71073","MoKα","","0.0644","0.0555","","","0.1334","0.138","","","","","","1.236","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505954","11.443","0.004","9.828","0.003","19.074","0.007","90","","107.249","0.006","90","","2048.6","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cd N3 O10 -","- C15 H24 Cd N3 O10 -","- C60 H96 Cd4 N12 O40 -","4","1","","Liu, Fu-Jing; Hao, Hong-Jun; Sun, Cheng-Jie; Lin, Xiao-Hang; Chen, Hao-Peng; Huang, Rong-Bin; Zheng, Lan-Sun","Syntheses, Structures, and Photoluminescences of Four Cd(II) Coordination Architectures Based on 1-(4-Pyridylmethyl)-2-methylimidazole and Aromatic Carboxylates: From One-Dimensional Chain to Three-Dimensional Coordination Architecture","Crystal Growth & Design","2012","12","4","2004","","10.1021/cg201708x","","","0.71073","MoKα","","0.087","0.0674","","","0.1526","0.1617","","","","","","1.249","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505955","15.7365","0.0003","21.1555","0.0004","27.1871","0.0005","90","","91.863","0.0007","90","","9046.2","0.3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 Cu6 N48 O8 W4 -","- C64 H32 Cu6 N48 O8 W4 -","- C256 H128 Cu24 N192 O32 W16 -","4","1","","Yamada, Ryo; Tokoro, Hiroko; Ozaki, Noriaki; Ohkoshi, Shin-ichi","Magnetic Dimensional Crossover from Two- to Three-Dimensional Heisenberg Magnetism in a Cu‒W Cyano-Bridged Bimetal Assembly","Crystal Growth & Design","2012","12","4","2013","","10.1021/cg201710s","","","0.71075","MoKα","","","0.045","","","","0.0965","","","","","","1.032","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505956","18.4785","0.0009","8.6316","0.0004","20.99","0.001","90","","105.892","0.002","90","","3219.9","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-iodoacetatylamphotercin B","","","- C61 H100 I N O22 -","- C61 H100 I N O22 -","- C122 H200 I2 N2 O44 -","2","1","","Jarzembska, Katarzyna N.; Kamiński, Daniel; Hoser, Anna A.; Malińska, Maura; Senczyna, Bogusław; Woźniak, Krzysztof; Gagoś, Mariusz","Controlled Crystallization, Structure, and Molecular Properties of Iodoacetylamphotericin B","Crystal Growth & Design","2012","12","5","2336","","10.1021/cg2017227","","","0.71073","MoKα","","0.0707","0.0616","","","0.1771","0.1857","","","","","","1.047","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505957","7.418","0.0006","8.2144","0.0006","28.77","0.002","90","","97.099","0.007","90","","1739.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl2 N2 O2 -","- C19 H15 Cl2 N2 O2 -","- C76 H60 Cl8 N8 O8 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1231","0.0892","","","0.1922","0.2088","","","","","","1.127","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505958","7.9109","0.0003","11.1289","0.0004","18.118","0.0007","81.943","0.003","80.424","0.004","88.809","0.003","1557.34","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cl4 N4 O4 -","- C32 H32 Cl4 N4 O4 -","- C64 H64 Cl8 N8 O8 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.117","0.0687","","","0.155","0.1767","","","","","","1.03","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505959","14.675","0.004","7.1318","0.0015","18.605","0.006","90","","110.73","0.03","90","","1821.1","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl2 N3 O2 -","- C19 H17 Cl2 N3 O2 -","- C76 H68 Cl8 N12 O8 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.091","0.0459","","","0.111","0.1228","","","","","","0.919","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505960","16.227","0.004","8.477","0.0015","15.686","0.004","90","","116.18","0.03","90","","1936.4","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl2 N3 O3 -","- C19 H19 Cl2 N3 O3 -","- C76 H76 Cl8 N12 O12 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.0897","0.0609","","","0.1494","0.1606","","","","","","1.043","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505961","8.5209","0.0011","8.8775","0.0011","9.1986","0.0012","104.265","0.002","103.337","0.002","91.569","0.002","653.56","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl2 N O2 -","- C14 H10 Cl2 N O2 -","- C28 H20 Cl4 N2 O4 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1165","0.1106","","","0.2171","0.2193","","","","","","1.209","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505962","7.5327","0.0013","31.313","0.005","9.601","0.003","90","","121.439","0.016","90","","1932.1","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N3 O3 -","- C20 H17 Cl2 N3 O3 -","- C80 H68 Cl8 N12 O12 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1287","0.0567","","","0.1339","0.1547","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505963","16.137","0.004","8.4889","0.0015","15.596","0.003","90","","114.94","0.03","90","","1937.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cl2 N3 O3 -","- C18 H23 Cl2 N3 O3 -","- C72 H92 Cl8 N12 O12 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1368","0.0868","","","0.214","0.254","","","","","","1.046","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505964","16.3805","0.0013","8.3717","0.0005","14.4609","0.0011","90","","102.347","0.008","90","","1937.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cl2 N3 O2 -","- C18 H21 Cl2 N3 O2 -","- C72 H84 Cl8 N12 O8 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1676","0.0641","","","0.1547","0.1851","","","","","","0.933","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505965","7.929","0.003","8.168","0.003","28.381","0.015","90","","90","","90","","1838.1","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl2 N3 O2 -","- C18 H21 Cl2 N3 O2 -","- C72 H84 Cl8 N12 O8 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1536","0.0597","","","0.0543","0.0663","","","","","","0.865","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505966","8.566","0.003","8.968","0.003","9.378","0.003","103.09","0.006","103.194","0.006","92.538","0.006","679.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl2 N O2 -","- C14 H10 Cl2 N O2 -","- C28 H20 Cl4 N2 O4 -","2","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1035","0.0833","","","0.1809","0.191","","","","","","1.122","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505967","9.6661","0.0006","13.7006","0.0008","14.1184","0.0009","61.028","0.003","79.631","0.004","81.904","0.004","1605.89","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gunn, Erica; Guzei, Ilia A.; Cai, Ting; Yu, Lian","Polymorphism of Nifedipine: Crystal Structure and Reversible Transition of the Metastable β Polymorph","Crystal Growth & Design","2012","12","4","2037","","10.1021/cg3000075","","","0.71073","MoKα","","0.0763","0.0439","","","0.0951","0.1085","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505968","9.84","0.003","13.807","0.004","14.206","0.004","61.39","0.019","79.76","0.02","81.99","0.02","1664.1","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","2","","Gunn, Erica; Guzei, Ilia A.; Cai, Ting; Yu, Lian","Polymorphism of Nifedipine: Crystal Structure and Reversible Transition of the Metastable β Polymorph","Crystal Growth & Design","2012","12","4","2037","","10.1021/cg3000075","","","0.71073","MoKα","","0.1358","0.0547","","","0.1263","0.1602","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505969","13.7487","0.0015","14.0692","0.0015","25.898","0.003","91.285","0.005","97.785","0.005","101.207","0.005","4862.6","0.9","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H48 Al26 Na2 O167 S16 -","- C80 H48 Al26 Na2 O167 S16 -","- C80 H48 Al26 Na2 O167 S16 -","1","0.5","","Abeysinghe, Samangi; Unruh, Daniel K.; Forbes, Tori Z.","Crystallization of Keggin-Type Polyaluminum Species by Supramolecular Interactions with Disulfonate Anions","Crystal Growth & Design","2012","12","4","2044","","10.1021/cg3000087","","","0.71073","MoKα","","0.2258","0.0917","","","0.2131","0.2996","","","","","","1.047","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505970","15.6751","0.0017","17.9295","0.0019","19.711","0.002","111.216","0.005","112.494","0.005","93.962","0.005","4630.7","0.9","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Al26 O114 S12 -","- C60 H36 Al26 O113.94 S12 -","- C60 H36 Al26 O113.94 S12 -","1","0.5","","Abeysinghe, Samangi; Unruh, Daniel K.; Forbes, Tori Z.","Crystallization of Keggin-Type Polyaluminum Species by Supramolecular Interactions with Disulfonate Anions","Crystal Growth & Design","2012","12","4","2044","","10.1021/cg3000087","","","0.71073","MoKα","","0.234","0.1027","","","0.2619","0.293","","","","","","0.958","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505971","18.5018","0.0012","18.5823","0.0012","19.7363","0.0011","63.414","0.002","63.64","0.002","61.977","0.002","5116.4","0.6","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H42 Al30 Cl2 O172 S16 -","- C80 H42 Al30 Cl2 O171.98 S16 -","- C80 H42 Al30 Cl2 O171.98 S16 -","1","0.5","","Abeysinghe, Samangi; Unruh, Daniel K.; Forbes, Tori Z.","Crystallization of Keggin-Type Polyaluminum Species by Supramolecular Interactions with Disulfonate Anions","Crystal Growth & Design","2012","12","4","2044","","10.1021/cg3000087","","","0.71073","MoKα","","0.1375","0.0954","","","0.2513","0.2881","","","","","","1.051","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505972","9.9647","0.0002","11.1184","0.0003","31.762","0.0008","90","","103.568","0.001","90","","3420.75","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl3 N7 O4 S3 -","- C27 H38 Cl3 N7 O4 S3 -","- C108 H152 Cl12 N28 O16 S12 -","4","1","","Hoque, Md. Najbul; Basu, Arghya; Das, Gopal","Cyclic Pentameric Puckered Hybrid Chloride‒Water Cluster [Cl3(H2O)4]3‒in the Hydrophobic Architecture","Crystal Growth & Design","2012","12","5","2153","","10.1021/cg3000119","","","0.71073","MoKα","","0.0452","0.0339","","","0.0497","0.0508","","","","","","0.921","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505973","6.6833","0.0015","8.6783","0.0019","17.82","0.004","90","","90","","90","","1033.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Mn N3 O5 -","- C10 H7 Mn N3 O5 -","- C40 H28 Mn4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0938","0.0516","","","0.0756","0.0923","","","","","","0.982","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505974","6.69","0.003","8.682","0.004","17.825","0.008","90","","90","","90","","1035.3","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Mn N3 O5 -","- C10 H7 Mn N3 O5 -","- C40 H28 Mn4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0919","0.0511","","","0.0668","0.0788","","","","","","1.008","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505975","6.7085","0.0007","8.6142","0.0009","22.1516","0.0019","90","","102.106","0.003","90","","1251.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cd3 N6 O13 -","- C20 H18 Cd3 N6 O13 -","- C40 H36 Cd6 N12 O26 -","2","0.5","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0422","0.0303","","","0.0608","0.0676","","","","","","1.045","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505976","6.7642","0.001","9.543","0.0014","16.524","0.002","90","","90","","90","","1066.6","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Ca N3 O5 -","- C10 H7 Ca N3 O5 -","- C40 H28 Ca4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0377","0.0336","","","0.0787","0.0813","","","","","","1.048","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505977","6.7491","0.0014","9.538","0.0019","16.526","0.003","90","","90","","90","","1063.8","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Ca N3 O5 -","- C10 H7 Ca N3 O5 -","- C40 H28 Ca4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0285","0.0264","","","0.0653","0.0666","","","","","","1.048","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505978","5.6549","0.0001","22.9356","0.0003","15.8278","0.0003","90","","94.422","0.001","90","","2046.73","0.06","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H21 Cd N2 O6 P -","- C19 H21 Cd N2 O6 P -","- C76 H84 Cd4 N8 O24 P4 -","4","1","","Dong, Li-Jie; Zhao, Cui-Cui; Xu, Xiang; Du, Zi-Yi; Xie, Yong-Rong; Zhang, Jian","Temperature-Dependent Crystal Self-Assembly, Disassembly, and Reassembly Among Three Cadmium(II) Carboxylate-Phosphinates","Crystal Growth & Design","2012","12","4","2052","","10.1021/cg300029d","","","0.71073","MoKα","","0.0302","0.028","","","0.0605","0.0614","","","","","","1.023","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505979","16.2587","0.0003","8.5835","0.0001","13.2797","0.0002","90","","99.025","0.001","90","","1830.33","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cd N2 O4 P -","- C19 H17 Cd N2 O4 P -","- C76 H68 Cd4 N8 O16 P4 -","4","1","","Dong, Li-Jie; Zhao, Cui-Cui; Xu, Xiang; Du, Zi-Yi; Xie, Yong-Rong; Zhang, Jian","Temperature-Dependent Crystal Self-Assembly, Disassembly, and Reassembly Among Three Cadmium(II) Carboxylate-Phosphinates","Crystal Growth & Design","2012","12","4","2052","","10.1021/cg300029d","","","0.71073","MoKα","","0.0345","0.0265","","","0.0592","0.0625","","","","","","1.041","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505980","26.5549","0.0005","8.6685","0.0001","15.4282","0.0003","90","","120.51","0.001","90","","3059.71","0.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cd2 N2 O9 P2 -","- C28 H26 Cd2 N2 O9 P2 -","- C112 H104 Cd8 N8 O36 P8 -","4","0.5","","Dong, Li-Jie; Zhao, Cui-Cui; Xu, Xiang; Du, Zi-Yi; Xie, Yong-Rong; Zhang, Jian","Temperature-Dependent Crystal Self-Assembly, Disassembly, and Reassembly Among Three Cadmium(II) Carboxylate-Phosphinates","Crystal Growth & Design","2012","12","4","2052","","10.1021/cg300029d","","","0.71073","MoKα","","0.027","0.024","","","0.0604","0.0628","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4505981","18.795","0.012","18.795","0.012","9.1","0.008","90","","90","","90","","3215","4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H14 Cd N4 O5 -","- C14 H14 Cd N4 O5 -","- C112 H112 Cd8 N32 O40 -","8","1","","Li, Dong-Sheng; Zhang, Peng; Zhao, Jun; Fang, Zi-Fan; Du, Miao; Zou, Kun; Mu, Yi-Qiang","Two Unique Entangling CdII-Coordination Frameworks Constructed by Square Cd4-Building Blocks and Auxiliary N,N′-Donor Ligands","Crystal Growth & Design","2012","12","4","1697","","10.1021/cg300036y","","","0.71073","MoKα","","0.0344","0.0332","","","0.0814","0.0827","","","","","","1.048","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505982","9.7939","0.0007","21.688","0.0017","27.677","0.002","90","","90","","90","","5878.9","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Cd2 N6 O9 -","- C26 H22 Cd2 N6 O9 -","- C208 H176 Cd16 N48 O72 -","8","1","","Li, Dong-Sheng; Zhang, Peng; Zhao, Jun; Fang, Zi-Fan; Du, Miao; Zou, Kun; Mu, Yi-Qiang","Two Unique Entangling CdII-Coordination Frameworks Constructed by Square Cd4-Building Blocks and Auxiliary N,N′-Donor Ligands","Crystal Growth & Design","2012","12","4","1697","","10.1021/cg300036y","","","0.71073","MoKα","","0.0502","0.0424","","","0.0963","0.1007","","","","","","1.017","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505983","7.3783","0.0017","13.0129","0.0019","14.9959","0.0018","107.94","0.012","103.901","0.015","93.989","0.015","1313.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 Cd2 N12 O24 -","- C48 H48 Cd2 N12 O24 -","- C48 H48 Cd2 N12 O24 -","1","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.0456","0.036","","","0.0934","0.0968","","","","","","1.067","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505984","12.7105","0.0002","15.6823","0.0002","19.4729","0.0003","90","","101.276","0.002","90","","3806.6","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H86 Cd2 F12 N14 O20 Si2 -","- C62 H86 Cd2 F12 N14 O20 Si2 -","- C124 H172 Cd4 F24 N28 O40 Si4 -","2","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","1.54178","CuKα","","0.0432","0.0364","","","0.0908","0.0989","","","","","","1.03","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505985","8.9845","0.0003","12.576","0.0006","14.3161","0.0006","67.106","0.004","80.345","0.003","71.35","0.004","1410.15","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Cd Cl2 N8 O20 -","- C44 H36 Cd Cl2 N8 O20 -","- C44 H36 Cd Cl2 N8 O20 -","1","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.0932","0.0761","","","0.2347","0.2453","","","","","","1.031","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505986","9.5972","0.0004","11.831","0.0006","13.0406","0.0004","102.587","0.003","95.215","0.003","107.603","0.004","1357.73","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H48 Cd F6 N8 O16 S2 -","- C54 H48 Cd F6 N8 O16 S2 -","- C54 H48 Cd F6 N8 O16 S2 -","1","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.063","0.046","","","0.1197","0.125","","","","","","1.004","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505987","6.8091","0.0004","10.9815","0.0007","15.5769","0.001","98.267","0.005","102.055","0.005","96.478","0.005","1114.88","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Cd N10 O10 S2 -","- C46 H36 Cd N10 O10 S2 -","- C46 H36 Cd N10 O10 S2 -","1","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","1.54178","CuKα","","0.0328","0.0303","","","0.0785","0.0794","","","","","","1.026","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505988","18.0816","0.001","9.8335","0.0005","25.7919","0.0006","90","","105.674","0.005","90","","4415.4","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 Cd N6 O12 S2 -","- C42 H44 Cd N6 O12 S2 -","- C168 H176 Cd4 N24 O48 S8 -","4","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.0755","0.0519","","","0.1459","0.1561","","","","","","1.008","","","","has coordinates,has disorder","179595","2020-10-21","18:00:00",""
"4505989","9.7329","0.0005","12.0003","0.0006","25.0949","0.0013","77.713","0.004","83.216","0.004","72.719","0.004","2729.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 Cd N8 O14 S2 -","- C58 H46 Cd N8 O14 S2 -","- C116 H92 Cd2 N16 O28 S4 -","2","1","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.1327","0.0566","","","0.1047","0.1137","","","","","","1.009","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505990","25.5812","0.0006","13.7824","0.0003","13.6089","0.0004","90","","97.767","0.001","90","","4754.1","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 Cd3 Cl6 N8 O11 -","- C44 H32 Cd3 Cl6 N8 O11 -","- C176 H128 Cd12 Cl24 N32 O44 -","4","0.5","","Yu, Zhi-Quan; Pan, Mei; Jiang, Ji-Jun; Liu, Zhi-Min; Su, Cheng-Yong","Anion Modulated Structural Diversification in the Assembly of Cd(II) Complexes Based on a Balance-like Dipodal Ligand","Crystal Growth & Design","2012","12","5","2389","","10.1021/cg300051w","","","0.71073","MoKα","","0.0298","0.0258","","","0.102","0.1284","","","","","","1.033","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505991","12.701","0.005","7.34","0.005","39.243","0.005","90","","90","","90","","3658","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cd O6 -","- C21 H16 Cd O6 -","- C168 H128 Cd8 O48 -","8","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71069","MoKα","","0.0676","0.0416","","","0.0665","0.0731","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505992","6.5428","0.0006","13.4439","0.0013","22.2129","0.0016","101.771","0.007","92.372","0.007","100.63","0.008","1873.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Cd Na2 O11 -","- C42 H28 Cd Na2 O11 -","- C84 H56 Cd2 Na4 O22 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0801","0.0379","","","0.0686","0.0733","","","","","","0.778","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505993","10.1491","0.0007","11.2091","0.0007","12.6834","0.0007","103.803","0.005","105.73","0.006","95.165","0.006","1330.15","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Cd N2 O5 -","- C33 H22 Cd N2 O5 -","- C66 H44 Cd2 N4 O10 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0572","0.0305","","","0.0361","0.0381","","","","","","0.641","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505994","9.9307","0.001","11.8889","0.001","12.7078","0.0013","79.514","0.008","75.083","0.009","79.507","0.008","1411.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 Cd N2 O7 -","- C33 H22 Cd N2 O7 -","- C66 H44 Cd2 N4 O14 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0639","0.0475","","","0.1054","0.1085","","","","","","0.899","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505995","10.426","0.005","14.228","0.005","15.195","0.005","101.07","0.005","100.043","0.005","92.132","0.005","2172.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 Cd2 N4 O10.5 -","- C50 H38 Cd2 N4 O10.5 -","- C100 H76 Cd4 N8 O21 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71069","MoKα","","0.0762","0.0435","","","0.0647","0.0772","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4505996","9.282","0.005","13.083","0.005","13.145","0.005","78.899","0.005","76.087","0.005","74.571","0.005","1479.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 Cd N4 O7 -","- C31 H30 Cd N4 O7 -","- C62 H60 Cd2 N8 O14 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71069","MoKα","","0.0541","0.0412","","","0.0812","0.0882","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505997","9.2554","0.0008","12.368","0.0011","13.2738","0.0011","75.178","0.008","85.892","0.007","75.422","0.008","1421.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 Co N4 O6 -","- C31 H30 Co N4 O6 -","- C62 H60 Co2 N8 O12 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.1045","0.0606","","","0.1287","0.149","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505998","13.655","0.005","8.902","0.005","21.908","0.005","90","","92.364","0.005","90","","2660.8","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cd N6 O5 -","- C28 H24 Cd N6 O5 -","- C112 H96 Cd4 N24 O20 -","4","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71069","MoKα","","0.0657","0.0412","","","0.0767","0.087","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505999","22.0506","0.0008","13.8182","0.0005","7.1851","0.0003","90","","90.829","0.003","90","","2189.07","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cd N3 O5 -","- C25 H20 Cd N3 O5 -","- C100 H80 Cd4 N12 O20 -","4","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0836","0.0504","","","0.0832","0.095","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506000","9.467","0.005","10.099","0.005","13.961","0.005","77.044","0.005","72.448","0.005","85.341","0.005","1240.1","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 Cd0.5 N3 O7 -","- C26 H23 Cd0.5 N3 O7 -","- C52 H46 Cd N6 O14 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71069","MoKα","","0.0425","0.0382","","","0.0959","0.0994","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506001","9.4457","0.0005","9.863","0.0004","14.2574","0.0006","71.897","0.004","73.467","0.004","85.931","0.004","1210.09","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Co0.5 N3 O7 -","- C25 H24 Co0.5 N3 O7 -","- C50 H48 Co N6 O14 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0655","0.0526","","","0.1385","0.1502","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506002","10.344","0.0004","14.983","0.0006","15.682","0.0005","85.423","0.003","71.03","0.003","89.647","0.003","2290.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 Cd N9 O9 -","- C48 H44 Cd N9 O9 -","- C96 H88 Cd2 N18 O18 -","2","1","","Niu, Dan; Yang, Jin; Guo, Jiao; Kan, Wei-Qiu; Song, Shu-Yan; Du, Peng; Ma, Jian-Fang","Syntheses, Structures, and Photoluminescent Properties of 12 New Metal‒Organic Frameworks Constructed by a Flexible Dicarboxylate and Various N-Donor Ligands","Crystal Growth & Design","2012","12","5","2397","","10.1021/cg3000526","","","0.71073","MoKα","","0.0556","0.0398","","","0.0773","0.0848","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506003","4.4886","0.0008","15.7","0.003","18.55","0.003","82.203","0.002","85.751","0.002","83.013","0.002","1283.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N6 Pt S4 -","- C21 H15 N6 Pt S4 -","- C42 H30 N12 Pt2 S8 -","2","1","","Pei, Wen-Bo; Wu, Jian-Sheng; Ning, Wei-Hua; Ren, Xiao-Ming; Tian, Zheng-Fang; Sui, Yun-Xia","Crystalline Phase Selections in a [Pt(mnt)2]−Ion-Pair Compound Using Solvents","Crystal Growth & Design","2012","12","5","2419","","10.1021/cg300064e","","","0.71073","MoKα","","0.0538","0.0374","","","0.0946","0.1018","","","","","","1.001","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506004","4.7256","0.0017","14.583","0.005","18.334","0.007","99.796","0.004","93.307","0.004","97.576","0.004","1230","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N6 Pt S4 -","- C21 H15 N6 Pt S4 -","- C42 H30 N12 Pt2 S8 -","2","1","","Pei, Wen-Bo; Wu, Jian-Sheng; Ning, Wei-Hua; Ren, Xiao-Ming; Tian, Zheng-Fang; Sui, Yun-Xia","Crystalline Phase Selections in a [Pt(mnt)2]−Ion-Pair Compound Using Solvents","Crystal Growth & Design","2012","12","5","2419","","10.1021/cg300064e","","","0.71073","MoKα","","0.1255","0.0635","","","0.1245","0.1445","","","","","","1","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506005","7.3513","0.0015","26.591","0.005","12.663","0.003","90","","105.04","0.002","90","","2390.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N6 Pt S4 -","- C21 H15 N6 Pt S4 -","- C84 H60 N24 Pt4 S16 -","4","1","","Pei, Wen-Bo; Wu, Jian-Sheng; Ning, Wei-Hua; Ren, Xiao-Ming; Tian, Zheng-Fang; Sui, Yun-Xia","Crystalline Phase Selections in a [Pt(mnt)2]−Ion-Pair Compound Using Solvents","Crystal Growth & Design","2012","12","5","2419","","10.1021/cg300064e","","","0.71073","MoKα","","0.0821","0.0529","","","0.1322","0.1454","","","","","","1.001","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506006","17.217","0.003","9.803","0.002","21.927","0.008","90","","123.42","0.02","90","","3088.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H76 Cd2 N18 O11 -","- C60 H70 Cd2 N18 O11 -","- C120 H140 Cd4 N36 O22 -","2","0.5","","Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting","Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","5","2435","","10.1021/cg3000729","","","0.71073","MoKα","","0.0653","0.053","","","0.149","0.1623","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506007","12.698","0.003","19.929","0.004","22.287","0.005","75.48","0.03","79.54","0.03","73.22","0.03","5191","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H114 Cd5 N18 O26 -","- C96 H102 Cd5 N18 O24 -","- C192 H204 Cd10 N36 O48 -","2","1","","Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting","Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","5","2435","","10.1021/cg3000729","","","0.71073","MoKα","","0.0618","0.0513","","","0.1334","0.1444","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506008","12.873","0.003","16.984","0.003","17.868","0.004","101.37","0.03","110.85","0.03","106.33","0.03","3305.5","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H122 Cd6 Cl0 N36 O31 -","- C120 H108 Cd6 N36 O31 -","- C120 H108 Cd6 N36 O31 -","1","0.5","","Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting","Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","5","2435","","10.1021/cg3000729","","","0.71073","MoKα","","0.0616","0.0502","","","0.1116","0.1191","","","","","","1.108","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506009","9.6398","0.0019","13.065","0.003","21.054","0.004","102.46","0.03","102.39","0.03","99.52","0.03","2465.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H51 Cd2 Cl N18 O9 -","- C45 H45 Cd2 Cl N18 O9 -","- C90 H90 Cd4 Cl2 N36 O18 -","2","1","","Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting","Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","5","2435","","10.1021/cg3000729","","","0.71073","MoKα","","0.0611","0.0495","","","0.1268","0.1363","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506010","13.996","0.003","11.34","0.002","34.124","0.01","90","","106.94","0.03","90","","5181","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 Cd2 N18 O12 -","- C46 H48 Cd2 N18 O12 -","- C184 H192 Cd8 N72 O48 -","4","1","","Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting","Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","5","2435","","10.1021/cg3000729","","","0.71073","MoKα","","0.1021","0.079","","","0.2464","0.2733","","","","","","0.979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506011","11.8293","0.0003","11.8293","0.0003","15.2015","0.0005","90","","90","","90","","2127.18","0.1","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 Co N4 O4 -","- C24 H18 Co N4 O4 -","- C96 H72 Co4 N16 O16 -","4","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0248","0.024","","","0.0675","0.0681","","","","","","1.065","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506012","16.1944","0.0012","13.3483","0.0006","10.8362","0.0007","90","","110.588","0.005","90","","2192.8","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H19 Co N4 O5.5 -","- C24 H18 Co N4 O5.5 -","- C96 H72 Co4 N16 O22 -","4","1","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0283","0.0263","","","0.0664","0.0676","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506013","11.775","0.0018","11.775","0.0018","15.111","0.003","90","","90","","90","","2095.1","0.6","123","2","123","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C24 H18 N4 O4 Zn -","- C24 H18 N4 O4 Zn -","- C96 H72 N16 O16 Zn4 -","4","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0229","0.0219","","","0.0577","0.0583","","","","","","1.069","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506014","13.345","0.004","14.624","0.004","10.661","0.003","90","","90","","90","","2080.6","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 N4 O5 Zn -","- C24 H18 N4 O5 Zn -","- C96 H72 N16 O20 Zn4 -","4","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0352","0.0319","","","0.0776","0.0795","","","","","","1.122","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506015","16.185","0.007","13.588","0.005","11.01","0.004","90","","110.91","0.006","90","","2261.9","1.5","113","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H19 Mn N4 O5.5 -","- C24 H16 Mn N4 O5.5 -","- C96 H64 Mn4 N16 O22 -","4","1","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0557","0.042","","","0.0886","0.0953","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506016","9.928","0.005","13.554","0.007","17.063","0.009","85.114","0.011","84.884","0.011","80.51","0.013","2250","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H38 Mn2 N8 O10 -","- C49 H35 Mn2 N8 O9.99 -","- C98 H70 Mn4 N16 O19.98 -","2","1","","Gai, Yan-Li; Jiang, Fei-Long; Xiong, Ke-Cai; Chen, Lian; Yuan, Da-Qiang; Zhang, Lin-Jie; Zhou, Kang; Hong, Mao-Chun","Temperature-Dependent in Situ Reduction of 4,4′-Azobispyridine via Solvothermal Reaction","Crystal Growth & Design","2012","12","4","2079","","10.1021/cg3000813","","","0.71073","MoKα","","0.0999","0.0672","","","0.1547","0.1758","","","","","","1.062","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506017","17.7443","0.001","9.094","0.0005","22.8204","0.0016","90","","110.655","0.007","90","","3445.7","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H19 Ca4 N5 O17 -","- C31 H19 Ca4 N5 O17 -","- C124 H76 Ca16 N20 O68 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","","","0.0721","0.0429","","","0.0769","0.0821","","","","","","0.821","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506018","11.355","0.005","7.443","0.003","18.452","0.009","90","","90","","90","","1559.5","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Ca N O5 -","- C7 H5 Ca N O5 -","- C56 H40 Ca8 N8 O40 -","8","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0379","0.0303","","","0.0863","0.0908","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506019","6.4463","0.0003","10.9728","0.0005","16.0996","0.0008","90","","99.775","0.005","90","","1122.26","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ca N2 O5 -","- C10 H10 Ca N2 O5 -","- C40 H40 Ca4 N8 O20 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","","","0.0783","0.0546","","","0.1421","0.1607","","","","","","1.111","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506020","6.211","0.001","6.9005","0.0009","18.285","0.003","90","","90","","90","","783.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 Ca N O5 -","- C7 H5 Ca N O5 -","- C28 H20 Ca4 N4 O20 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","","","0.0689","0.0365","","","0.0514","0.0556","","","","","","0.81","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506021","6.4275","0.0004","16.387","0.0012","10.9764","0.0009","90","","99.182","0.006","90","","1141.3","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ca N2 O5 -","- C10 H10 Ca N2 O5 -","- C40 H40 Ca4 N8 O20 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","","","0.0537","0.0436","","","0.1117","0.122","","","","","","1.077","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506022","18.5021","0.0005","18.5021","0.0005","11.901","0.0004","90","","90","","120","","3528.22","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C7 H3 Ca N O4 -","- C7 H3 Ca N O4 -","- C126 H54 Ca18 N18 O72 -","18","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0286","0.0239","","","0.063","0.0659","","","","","","1.038","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506023","11.347","0.007","9.914","0.004","7.907","0.004","90","","104.489","0.006","90","","861.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Ca N O5 -","- C7 H5 Ca N O5 -","- C28 H20 Ca4 N4 O20 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0414","0.0375","","","0.0977","0.1013","","","","","","1.084","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506024","12.0501","0.0003","13.9638","0.0003","14.7073","0.0003","98.257","0.002","111.863","0.002","107.785","0.002","2092.18","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 Ca3 N7 O16 -","- C33 H37 Ca3 N7 O16 -","- C66 H74 Ca6 N14 O32 -","2","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0499","0.0437","","","0.1294","0.1357","","","","","","1.048","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506025","10.2526","0.0003","12.6758","0.0003","7.5294","0.0003","90","","106.324","0.004","90","","939.07","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C7 H7 Ca N O6 -","- C7 H7 Ca N O6 -","- C28 H28 Ca4 N4 O24 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","MoKα","","0.0495","0.0451","","","0.1162","0.1228","","","","","","1.081","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506026","10.1612","0.0002","7.4778","0.0001","13.2585","0.0003","90","","90.426","0.002","90","","1007.4","0.03","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cu2 N2 O6 -","- C20 H26 Cu2 N2 O6 -","- C40 H52 Cu4 N4 O12 -","2","0.5","","Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu","Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups","Crystal Growth & Design","2012","12","4","2089","","10.1021/cg300096n","","","1.54184","CuKα","","0.0248","0.0239","","","0.056","0.0564","","","","","","1.007","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506027","23.0126","0.0009","10.0692","0.0003","22.7967","0.0008","90","","112.358","0.004","90","","4885.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H67 Cu4 N4 O15 -","- C48 H67 Cu4 N4 O15 -","- C192 H268 Cu16 N16 O60 -","4","0.5","","Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu","Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups","Crystal Growth & Design","2012","12","4","2089","","10.1021/cg300096n","","","0.71073","MoKα","","0.0461","0.0302","","","0.0814","0.0843","","","","","","0.939","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506028","20.148","0.002","15.227","0.0016","57.72","0.005","90","","98.443","0.001","90","","17516","3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C321.4 H385.4 N25.4 Na8 O84 S10.6 Zn20 -","- C321.4 H385.4 N25.4 Na8 O84 S10.6 Zn20 -","- C642.8 H770.8 N50.8 Na16 O168 S21.2 Zn40 -","2","0.25","","Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu","Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups","Crystal Growth & Design","2012","12","4","2089","","10.1021/cg300096n","","","0.71073","MoKα","","0.1446","0.1159","","","0.2065","0.2582","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506029","11.44","0.0011","12.1709","0.0013","13.8131","0.0015","85.546","0.002","79.749","0.001","65.731","0.001","1725.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N2 Ni2 O10 -","- C38 H38 N2 Ni2 O10 -","- C76 H76 N4 Ni4 O20 -","2","1","","Ding, Caixia; Zeng, Fanhua; Ni, Jia; Wang, Bingwu; Xie, Yongshu","Polynuclear Complexes of Ligands Containing in Situ Formed Oxazinane and Oxazolidine Rings with Appended Alkoxyl and Phenol Groups","Crystal Growth & Design","2012","12","4","2089","","10.1021/cg300096n","","","0.71073","MoKα","","0.0967","0.0643","","","0.1526","0.1674","","","","","","1.029","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506030","12.479","0.004","12.888","0.004","15.116","0.005","93.634","0.007","94.092","0.007","105.305","0.007","2330.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H35 F12 N6 O12 -","- C41 H35 F12 N6 O12 -","- C82 H70 F24 N12 O24 -","2","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.1125","0.0879","","","0.2708","0.3046","","","","","","1.028","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506031","43.7719","0.0013","43.7719","0.0013","12.7427","0.0008","90","","90","","120","","21143.8","1.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H38 Cl4 N6 O18 -","- C33 H33 Cl4 N6 O18 -","- C594 H594 Cl72 N108 O324 -","18","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0839","0.0702","","","0.181","0.1909","","","","","","1.064","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506032","19.68","0.001","19.68","0.001","21.61","0.002","90","","90","","120","","7248.3","0.8","120","2","120","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C99 H100 N12 O31 -","- C99 H100 N12 O31 -","- C297 H300 N36 O93 -","3","0.5","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.1041","0.0904","","","0.2417","0.256","","","","","","1.064","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506033","9.4606","0.0007","10.5273","0.0008","17.5009","0.0012","79.28","0.002","76.871","0.002","63.893","0.002","1516.85","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N9 O10 -","- C30 H27 N9 O10 -","- C60 H54 N18 O20 -","2","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0683","0.0508","","","0.1302","0.1422","","","","","","1.062","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506034","9.3543","0.0006","22.1377","0.0015","16.6022","0.0011","90","","104.228","0.001","90","","3332.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 I2 N7 O2 -","- C33 H33 I2 N7 O2 -","- C132 H132 I8 N28 O8 -","4","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0298","0.0253","","","0.0576","0.0595","","","","","","1.049","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506035","9.4032","0.0014","22.782","0.003","16.298","0.003","90","","103.4","0.003","90","","3396.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl2 N7 O9 -","- C33 H33 Cl2 N7 O9 -","- C132 H132 Cl8 N28 O36 -","4","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0472","0.0406","","","0.113","0.1187","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506036","20.4226","0.0015","18.5996","0.0014","20.1705","0.0015","90","","117.501","0.002","90","","6796","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H73 Cl5 N10 O27 -","- C58 H65 Cl5 N10 O27 -","- C232 H260 Cl20 N40 O108 -","4","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0791","0.0584","","","0.1479","0.1652","","","","","","1.03","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506037","20.5849","0.0012","18.4162","0.001","19.9691","0.0011","90","","117.953","0.001","90","","6687","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H71 B5 F20 N10 O6 -","- C58 H59 B5 F20 N10 O6 -","- C232 H236 B20 F80 N40 O24 -","4","1","","Arunachalam, M.; Chakraborty, Sourav; Marivel, S.; Ghosh, Pradyut","Anion-Assisted Formation of Discrete Homodimeric and Heterotetrameric Assemblies by Benzene Based Protonated Heteroaryl Receptors","Crystal Growth & Design","2012","12","4","2097","","10.1021/cg300099m","","","0.71073","MoKα","","0.0768","0.0637","","","0.1853","0.1957","","","","","","1.067","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506038","9.471","0.0011","17.3579","0.0017","19.6831","0.0019","76.227","0.003","83.232","0.003","88.407","0.003","3120.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H68 N6 O14 Zn3 -","- C98 H68 N6 O14 Zn3 -","- C98 H68 N6 O14 Zn3 -","1","0.5","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Jian","Microporous Metal‒Organic Framework Based on Mixing Nanosized Tris((4-carboxyl)-phenylduryl)amine and 4,4′-Bipyridine Ligands for Gas Storage and Separation","Crystal Growth & Design","2012","12","5","2468","","10.1021/cg3001009","","","0.71073","MoKα","","0.0618","0.0564","","","0.2069","0.2158","","","","","","1.063","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506039","25.828","0.003","14.5799","0.0014","7.3586","0.0007","90","","95.687","0.002","90","","2757.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H3.75 N3 O1.5 S6 -","- C10.5 H4.5 N3 O1.5 S6 -","- C84 H36 N24 O12 S48 -","8","1","","Yu, Xin; Mailman, Aaron; Lekin, Kristina; Assoud, Abdeljalil; Dube, Paul A.; Oakley, Richard T.","A Bimodal Oxobenzene-bridged Bisdithiazolyl Radical Conductor","Crystal Growth & Design","2012","12","5","2485","","10.1021/cg300107t","","","0.71073","MoKα","","0.1213","0.0582","","","0.0774","0.096","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506040","5.452","0.0004","6.3891","0.0004","45.711","0.003","90","","91.796","0.003","90","","1591.49","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Mn N2 O12 -","- C32 H40 Mn N2 O12 -","- C64 H80 Mn2 N4 O24 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0566","0.0543","","","0.1266","0.1362","","","","","","1.382","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506041","30.798","0.002","5.634","0.0004","24.491","0.002","90","","114.536","0.006","90","","3865.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 Cu N4 O9 -","- C42 H44 Cu N4 O9 -","- C168 H176 Cu4 N16 O36 -","4","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0388","0.0331","","","0.0918","0.0945","","","","","","1.054","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506042","5.4784","0.0001","13.0745","0.0004","15.1085","0.0006","112.077","0.002","94.582","0.002","100.659","0.001","972.18","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N4 O10 Zn -","- C42 H46 N4 O10 Zn -","- C42 H46 N4 O10 Zn -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0335","0.0304","","","0.0813","0.0831","","","","","","1.078","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506043","5.5386","0.0002","13.1183","0.0004","15.2664","0.0005","112.863","0.002","94.311","0.002","100.602","0.002","991.36","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 Cd N4 O10 -","- C42 H46 Cd N4 O10 -","- C42 H46 Cd N4 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0296","0.0293","","","0.0762","0.0766","","","","","","1.111","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506044","19.0706","0.0019","5.3626","0.0005","25.392","0.003","90","","104.218","0.007","90","","2517.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H40 Co N5 O10 -","- C55 H40 Co N5 O10 -","- C110 H80 Co2 N10 O20 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0514","0.0402","","","0.1048","0.1197","","","","","","1.075","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506045","15.0683","0.0007","19.544","0.001","9.2955","0.0005","90","","103.023","0.003","90","","2667.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cu N6 O10 -","- C60 H60 Cu N6 O10 -","- C120 H120 Cu2 N12 O20 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.1098","0.0584","","","0.1094","0.1298","","","","","","1.019","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506046","5.5409","0.0002","13.2051","0.0004","17.7936","0.0006","75.104","0.002","81.318","0.002","78.586","0.002","1226.39","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H54 Cd N5 O10 -","- C55 H54 Cd N5 O10 -","- C55 H54 Cd N5 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Metal(II) Complexes Derived from Conformation Flexible Cyclic Imide Tethered Carboxylic Acids: Syntheses, Supramolecular Structures, and Molecular Properties","Crystal Growth & Design","2012","12","4","2109","","10.1021/cg300113f","","","0.71073","MoKα","","0.0403","0.039","","","0.0908","0.0917","","","","","","1.027","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506047","4.2484","0.0003","5.9704","0.0003","10.566","0.0006","105.734","0.005","94.894","0.005","91.898","0.005","256.58","0.03","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H4 N2 O S -","- C4 H4 N2 O S -","- C8 H8 N4 O2 S2 -","2","1","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","Mo-Kα","","0.012","0.012","","","0.0185","0.0185","","","","","","1.312","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506048","4.2588","0.0012","12.419","0.004","9.844","0.003","90","","91.289","0.009","90","","520.5","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O S -","- C4 H4 N2 O S -","- C16 H16 N8 O4 S4 -","4","1","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","Mo-Kα","","0.028","0.028","","","0.0277","0.0277","","","","","","1.156","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506049","8.6224","0.0004","9.1703","0.0005","12.5769","0.0008","99.34","0.005","100.163","0.004","90.303","0.004","965.29","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H3 F N2 O2 -","- C4 H3 F N2 O2 -","- C32 H24 F8 N16 O16 -","8","4","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","Mo-Kα","","0.0296","0.0296","","","0.0341","0.0341","","","","","","0.986","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506050","4.3405","0.0001","14.458","0.0005","9.5743","0.0003","90","","90.758","0.003","90","","600.78","0.03","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N2 O S -","- C5 H6 N2 O S -","- C20 H24 N8 O4 S4 -","4","1","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","MoKα","","0.0241","0.0264","","","0.1164","0.1164","","","","","","0.97","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506051","7.1769","0.0005","12.1325","0.0007","7.5571","0.0006","90","","91.743","0.007","90","","657.72","0.08","100","2","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C24 H32 N8 O8 -","4","1","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","Mo-Kα","","0.0281","0.0281","","","0.0308","0.0308","","","","","","1.389","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506052","4.1926","0.0004","14.5355","0.0011","9.786","0.0009","90","","99.772","0.005","90","","587.72","0.09","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 S2 -","- C4 H4 N2 S2 -","- C16 H16 N8 S8 -","4","1","","Jarzembska, Katarzyna N.; Kubsik, Marcin; Kamiński, Radosław; Woźniak, Krzysztof; Dominiak, Paulina M.","From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives","Crystal Growth & Design","2012","12","5","2508","","10.1021/cg300129z","","","0.71073","MoKα","","0.0228","0.0228","","","0.0247","0.0247","","","","","","1.214","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506053","7.424","0.007","7.628","0.007","25.7","0.02","88.959","0.007","87.126","0.008","66.359","0.008","1332","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C52 H52 N12 O20 -","4","2","","Adalder, Tapas Kumar; Sankolli, Ravish; Dastidar, Parthasarathi","Homo- or Heterosynthon? A Crystallographic Study on a Series of New Cocrystals Derived from Pyrazinecarboxamide and Various Carboxylic Acids Equipped with Additional Hydrogen Bonding Sites","Crystal Growth & Design","2012","12","5","2533","","10.1021/cg300140w","","","0.71073","MoKα","","0.058","0.0395","","","0.1121","0.1283","","","","","","0.971","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506054","7.2384","0.0003","27.1544","0.0007","7.5412","0.0003","90","","115.909","0.005","90","","1333.27","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O7 -","- C12 H11 N3 O7 -","- C48 H44 N12 O28 -","4","1","","Adalder, Tapas Kumar; Sankolli, Ravish; Dastidar, Parthasarathi","Homo- or Heterosynthon? A Crystallographic Study on a Series of New Cocrystals Derived from Pyrazinecarboxamide and Various Carboxylic Acids Equipped with Additional Hydrogen Bonding Sites","Crystal Growth & Design","2012","12","5","2533","","10.1021/cg300140w","","","0.71073","MoKα","","0.0727","0.0432","","","0.1066","0.1167","","","","","","0.935","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506055","14.389","0.002","6.5565","0.0009","15.523","0.002","90","","94.289","0.004","90","","1460.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O4 -","- C16 H13 N3 O4 -","- C64 H52 N12 O16 -","4","1","","Adalder, Tapas Kumar; Sankolli, Ravish; Dastidar, Parthasarathi","Homo- or Heterosynthon? A Crystallographic Study on a Series of New Cocrystals Derived from Pyrazinecarboxamide and Various Carboxylic Acids Equipped with Additional Hydrogen Bonding Sites","Crystal Growth & Design","2012","12","5","2533","","10.1021/cg300140w","","","0.71073","MoKα","","0.069","0.046","","","0.1212","0.1353","","","","","","1.044","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506056","5.5331","0.0003","29.5175","0.001","8.3142","0.0004","90","","108.789","0.005","90","","1285.54","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C56 H48 N16 O12 -","4","1","","Adalder, Tapas Kumar; Sankolli, Ravish; Dastidar, Parthasarathi","Homo- or Heterosynthon? A Crystallographic Study on a Series of New Cocrystals Derived from Pyrazinecarboxamide and Various Carboxylic Acids Equipped with Additional Hydrogen Bonding Sites","Crystal Growth & Design","2012","12","5","2533","","10.1021/cg300140w","","","0.71073","MoKα","","0.0782","0.0474","","","0.1171","0.1265","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506057","14.14","0.0007","8.1804","0.0004","22.1356","0.0012","90","","105.415","0.003","90","","2468.3","0.2","95","","95","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl N7 O2 S -","- C22 H26 Cl N7 O2 S -","- C88 H104 Cl4 N28 O8 S4 -","4","1","","Roy, Saikat; Quiñones, Rosalynn; Matzger, Adam J.","Structural and Physicochemical Aspects of Dasatinib Hydrate and Anhydrate phases.","Crystal growth & design","2012","12","4","2122","2126","10.1021/cg300152p","","","1.54178","CuKα","","","0.0846","","","","0.2413","","","","","","1.116","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506058","13.8657","0.0003","9.2077","0.0002","37.9347","0.0008","90","","90","","90","","4843.17","0.18","95","","95","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 Cl N7 O3 S -","- C22 H28 Cl N7 O3 S -","- C176 H224 Cl8 N56 O24 S8 -","8","1","","Roy, Saikat; Quiñones, Rosalynn; Matzger, Adam J.","Structural and Physicochemical Aspects of Dasatinib Hydrate and Anhydrate phases.","Crystal growth & design","2012","12","4","2122","2126","10.1021/cg300152p","","","1.54187","CuKα","","","0.0905","","","","0.237","","","","","","1.047","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506059","10.6054","0.0002","11.3456","0.0002","52.5014","0.0005","90","","90","","90","","6317.21","0.17","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glycyrrhizic acid 4.26 propionic acid 3.94 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic acid water/propionic acid solvate","","- C54.78 H95.44 O28.1 -","- C54.577 H89.842 O28.106 -","- C218.308 H359.368 O112.424 -","4","1","","Tykarska, Ewa; Sobiak, Stanisław; Gdaniec, Maria","Supramolecular Organization of Neutral and Ionic Forms of Pharmaceutically Relevant Glycyrrhizic Acid—Amphiphile Self-Assembly and Inclusion of Small Drug Molecules","Crystal Growth & Design","2012","12","4","2133","","10.1021/cg300160c","","","1.54184","CuKα","","0.0721","0.0716","","","0.1984","0.199","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506060","10.3718","0.0002","11.2995","0.0002","50.3536","0.0006","90","","90","","90","","5901.25","0.17","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium beta-glycyrrhizate 3.53 methanol 1.82 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt water/methanol solvate","","- C48.25 H94.09 N O24.3 -","- C48.253 H90.012 N O24.294 -","- C193.012 H360.048 N4 O97.176 -","4","1","","Tykarska, Ewa; Sobiak, Stanisław; Gdaniec, Maria","Supramolecular Organization of Neutral and Ionic Forms of Pharmaceutically Relevant Glycyrrhizic Acid—Amphiphile Self-Assembly and Inclusion of Small Drug Molecules","Crystal Growth & Design","2012","12","4","2133","","10.1021/cg300160c","","","1.54184","CuKα","","0.0656","0.0654","","","0.1855","0.186","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506061","10.4464","0.0002","11.2468","0.0002","51.0762","0.0005","90","","90","","90","","6000.87","0.17","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium beta-glycyrrhizate complex with p-aminobenzoic acid 3.53 methanol 1.82 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt complex with p-aminobenzoic acid water/methanol solvate","","- C52.53 H89.76 N2 O23.35 -","- C52.524 H87.222 N2 O23.35 -","- C210.096 H348.888 N8 O93.4 -","4","1","","Tykarska, Ewa; Sobiak, Stanisław; Gdaniec, Maria","Supramolecular Organization of Neutral and Ionic Forms of Pharmaceutically Relevant Glycyrrhizic Acid—Amphiphile Self-Assembly and Inclusion of Small Drug Molecules","Crystal Growth & Design","2012","12","4","2133","","10.1021/cg300160c","","","1.54184","CuKα","","0.0712","0.0701","","","0.1905","0.1913","","","","","","1.103","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506062","10.2608","0.0004","10.7516","0.0004","16.5684","0.0006","90","","90","","90","","1827.83","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H10 O23 S4 Y4 -","- O23 S4 Y4 -","- O92 S16 Y16 -","4","1","","Wang, Wen-Hua; Tian, Han-Rui; Zhou, Zhi-Chao; Feng, Yun-Long; Cheng, Jian-Wen","Two Unusual Chiral Lanthanide‒Sulfate Frameworks with Helical Tubes and Channels Constructed from Interweaving Two Double-Helical Chains","Crystal Growth & Design","2012","12","5","2567","","10.1021/cg3001703","","","0.71073","MoKα","","0.0546","0.0468","","","0.1113","0.1152","","","","","","1.092","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506063","10.234","0.0001","10.7014","0.0002","16.5476","0.0003","90","","90","","90","","1812.26","0.05","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Er4 H10 O23 S4 -","- Er4 O23 S4 -","- Er16 O92 S16 -","4","1","","Wang, Wen-Hua; Tian, Han-Rui; Zhou, Zhi-Chao; Feng, Yun-Long; Cheng, Jian-Wen","Two Unusual Chiral Lanthanide‒Sulfate Frameworks with Helical Tubes and Channels Constructed from Interweaving Two Double-Helical Chains","Crystal Growth & Design","2012","12","5","2567","","10.1021/cg3001703","","","0.71073","MoKα","","0.0279","0.0275","","","0.0615","0.0616","","","","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506064","5.1663","0.0006","9.9211","0.001","15.8829","0.0017","75.339","0.003","82.551","0.003","78.82","0.003","769.84","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-4N-GA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)3-COOH","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C32 H34 N6 O10 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0627","0.047","","","0.13","0.1416","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506065","7.5855","0.0012","21.675","0.003","11.1031","0.0016","90","","96.05","0.009","90","","1815.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SVP-4N-PA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)5-COOH","","- C18 H21 N3 O5 -","- C18 H21 N3 O5 -","- C72 H84 N12 O20 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.154","0.0558","","","0.1367","0.185","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506066","11.0319","0.0011","9.95","0.0009","18.7354","0.0018","90","","90.323","0.004","90","","2056.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SVP-4N-SeA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)8-COOH","","- C21 H27 N3 O5 -","- C21 H27 N3 O5 -","- C84 H108 N12 O20 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0662","0.0452","","","0.113","0.124","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506067","11.9508","0.0011","19.8752","0.0019","7.3996","0.0008","90","","105.384","0.004","90","","1694.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","SVP-4N-AA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)4-COOH","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0931","0.0511","","","0.1364","0.1626","","","","","","1.016","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506068","11.4438","0.0007","10.1874","0.0005","16.5671","0.0009","90","","95.023","0.003","90","","1924.02","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","SVP 4N-SeA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)6-COOH","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0712","0.0488","","","0.1336","0.1507","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506069","5.6707","0.0003","10.8221","0.0006","17.0848","0.001","104.161","0.002","94.599","0.002","104.84","0.002","971.23","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-4n-AzA (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)7-COOH","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C40 H50 N6 O10 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0663","0.0486","","","0.1391","0.1509","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506070","11.2578","0.0007","19.6623","0.0011","19.813","0.0012","93.236","0.003","91.236","0.003","90.298","0.003","4377.6","0.5","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-4N-SUC (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)2-COOH","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C180 H180 N36 O60 -","12","6","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.1427","0.0646","","","0.1496","0.185","","","","","","1.024","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506071","8.9361","0.0008","9.8031","0.0009","9.827","0.0009","83.13","0.002","74.507","0.003","79.462","0.002","813.31","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-3N-AA (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)4-COOH","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C34 H38 N6 O10 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0569","0.0465","","","0.1317","0.1432","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506072","7.5703","0.0008","9.6882","0.001","13.9977","0.0014","85.455","0.004","81.21","0.004","79.358","0.004","995.74","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-3N-SeA (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)8-COOH","","- C21 H27 N3 O5 -","- C21 H27 N3 O5 -","- C42 H54 N6 O10 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0701","0.0519","","","0.1387","0.1508","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506073","31.2168","0.0018","4.794","0.0003","22.7743","0.0013","90","","128.375","0.002","90","","2671.9","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","SVP-3N-MA (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)-COOH","","- C14 H13 N3 O5 -","- C14 H13 N3 O5 -","- C112 H104 N24 O40 -","8","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0615","0.0433","","","0.1129","0.1241","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506074","4.8289","0.0005","11.1223","0.0011","14.3787","0.0014","67.856","0.004","89.55","0.004","87.878","0.004","714.79","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-3N-SA (4-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)2-COOH","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C30 H30 N6 O10 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.0892","0.0576","","","0.1718","0.1907","","","","","","1.125","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506075","7.5711","0.0005","11.982","0.0008","20.1758","0.0013","82.56","0.004","80.081","0.004","85.195","0.004","1784.2","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","SVP-3N-PA (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)5-COOH","","- C18 H21 N3 O5 -","- C18 H21 N3 O5 -","- C72 H84 N12 O20 -","4","2","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.1336","0.0622","","","0.1435","0.1777","","","","","","0.985","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506076","13.5588","0.0013","9.466","0.001","15.8384","0.0015","90","","105.946","0.004","90","","1954.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2) 3N/AZA BD (3-pyridyl)-CONH-(2-pyridyl), HOOC-(CH2)7-COOH","","- C20 H25 N3 O5 -","- C20 H25 N3 O5 -","- C80 H100 N12 O20 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu V.; DeHaven, Baillie; Desper, John","Establishing Supramolecular Control over Solid-State Architectures: A Simple Mix and Match Strategy","Crystal Growth & Design","2012","12","5","2579","","10.1021/cg300180b","","","0.71073","MoKα","","0.099","0.0604","","","0.1541","0.1813","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506077","12.7949","0.0004","8.2582","0.0002","18.2006","0.0005","90","","107.778","0.003","90","","1831.29","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Co3 N2 O22 -","- C30 H32 Co3 N2 O22 -","- C60 H64 Co6 N4 O44 -","2","0.5","","Li, Huan-Huan; Shi, Wei; Xu, Na; Zhang, Zhen-Jie; Niu, Zheng; Han, Tian; Cheng, Peng","Structural Diversity of Four Metal‒Organic Frameworks Based on Linear Homo/Heterotrinuclear Nodes with Furan-2,5-dicarboxylic Acid: Crystal Structures and Luminescent and Magnetic Properties","Crystal Growth & Design","2012","12","5","2602","","10.1021/cg300196w","","","0.7107","MoKα","","0.0602","0.0334","","","0.063","0.0662","","","","","","0.874","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506078","9.2915","0.0004","15.0734","0.0007","17.8179","0.0007","90","","97.323","0.004","90","","2475.12","0.19","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Co3 N4 O22 -","- C34 H38 Co3 N4 O22 -","- C68 H76 Co6 N8 O44 -","2","0.5","","Li, Huan-Huan; Shi, Wei; Xu, Na; Zhang, Zhen-Jie; Niu, Zheng; Han, Tian; Cheng, Peng","Structural Diversity of Four Metal‒Organic Frameworks Based on Linear Homo/Heterotrinuclear Nodes with Furan-2,5-dicarboxylic Acid: Crystal Structures and Luminescent and Magnetic Properties","Crystal Growth & Design","2012","12","5","2602","","10.1021/cg300196w","","","0.7107","MoKα","","0.1092","0.0863","","","0.2219","0.2407","","","","","","1.052","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506079","10.7608","0.0003","20.6327","0.0006","16.8538","0.0007","90","","100.938","0.003","90","","3674","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Co Gd2 O26 -","- C24 H20 Co Gd2 O26 -","- C96 H80 Co4 Gd8 O104 -","4","0.5","","Li, Huan-Huan; Shi, Wei; Xu, Na; Zhang, Zhen-Jie; Niu, Zheng; Han, Tian; Cheng, Peng","Structural Diversity of Four Metal‒Organic Frameworks Based on Linear Homo/Heterotrinuclear Nodes with Furan-2,5-dicarboxylic Acid: Crystal Structures and Luminescent and Magnetic Properties","Crystal Growth & Design","2012","12","5","2602","","10.1021/cg300196w","","","0.7107","MoKα","","0.061","0.0445","","","0.1294","0.1385","","","","","","1.176","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506080","9.2134","0.0015","10.178","0.0008","11.5556","0.0008","74.073","0.007","79.441","0.01","83.594","0.01","1022.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Co Dy2 O26 -","- C28 H24 Co Dy2 O26 -","- C28 H24 Co Dy2 O26 -","1","0.5","","Li, Huan-Huan; Shi, Wei; Xu, Na; Zhang, Zhen-Jie; Niu, Zheng; Han, Tian; Cheng, Peng","Structural Diversity of Four Metal‒Organic Frameworks Based on Linear Homo/Heterotrinuclear Nodes with Furan-2,5-dicarboxylic Acid: Crystal Structures and Luminescent and Magnetic Properties","Crystal Growth & Design","2012","12","5","2602","","10.1021/cg300196w","","","0.7107","MoKα","","0.0574","0.0461","","","0.1283","0.1325","","","","","","1.077","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506081","17.647","0.002","5.2995","0.0007","13.968","0.0018","90","","90","","90","","1306.3","0.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C13 H11 N4 O4 Zn -","- C13 H9 N4 O4 Zn -","- C52 H36 N16 O16 Zn4 -","4","0.5","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.045","0.0385","","","0.1128","0.1155","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506082","20.742","0.003","19.431","0.003","12.3964","0.0017","90","","107.989","0.007","90","","4752","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N4 O5 Zn -","- C24 H17 N4 O5 Zn -","- C192 H136 N32 O40 Zn8 -","8","1","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.053","0.0464","","","0.137","0.142","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506083","26.6249","0.001","6.7018","0.0003","23.2725","0.0009","90","","105.098","0.001","90","","4009.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 Cd N4 O4 -","- C24 H17 Cd N4 O4 -","- C192 H136 Cd8 N32 O32 -","8","1","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.03","0.0279","","","0.0763","0.0779","","","","","","1.063","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506084","10.997","0.003","30.043","0.008","14.553","0.004","90","","109.807","0.004","90","","4524","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cd N4 O5 -","- C22 H17 Cd N4 O5 -","- C176 H136 Cd8 N32 O40 -","8","1","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.0974","0.0848","","","0.236","0.2584","","","","","","1.084","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506085","42.542","0.005","13.6415","0.0015","15.2419","0.0016","90","","99.301","0.002","90","","8729.1","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Cd2 N8 O12 -","- C44 H34 Cd2 N8 O12 -","- C352 H272 Cd16 N64 O96 -","8","1","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.0793","0.0607","","","0.1787","0.2066","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506086","6.761","0.005","16.856","0.005","18.782","0.005","90","0.005","95.091","0.005","90","0.005","2132","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N4 O6 Zn -","- C22 H17 N4 O6 Zn -","- C88 H68 N16 O24 Zn4 -","4","1","","Luo, Li; Wang, Peng; Xu, Guan-Cheng; Liu, Qing; Chen, Kai; Lu, Yi; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with Rigid 3,3′,5,5′-Tetra(1H-imidazol-1-yl)-1,1′-biphenyl and Varied Carboxylate Ligands","Crystal Growth & Design","2012","12","5","2634","","10.1021/cg300220q","","","0.71073","MoKα","","0.0409","0.0364","","","0.1067","0.1089","","","","","","1.035","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506087","9.7208","0.0014","9.1128","0.0013","7.5178","0.0011","90","","96.727","0.002","90","","661.37","0.17","90","1","90","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","4-fluoro benzoyl chloride","","- C7 H4 Cl F O -","- C7 H4 Cl F O -","- C28 H16 Cl4 F4 O4 -","4","1","","Dikundwar, Amol G.; Row, Tayur N. Guru","Evidence for the “Amphoteric” Nature of Fluorine in Halogen Bonds: An Instance of Cl···F Contact","Crystal Growth & Design","2012","12","4","1713","","10.1021/cg3002477","","x-ray","0.71073","MoKα","","0.0361","0.0347","","","0.0898","0.091","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506088","6.8606","0.0012","7.1974","0.0012","8.0394","0.0014","94.604","0.003","104.285","0.002","115.92","0.002","337.84","0.1","90","1","90","1","","","","","","","see text","5","P -1","-P 1","2","","2,3-difluoro benzoyl chloride","","- C7 H3 Cl F2 O -","- C7 H3 Cl F2 O -","- C14 H6 Cl2 F4 O2 -","2","1","","Dikundwar, Amol G.; Row, Tayur N. Guru","Evidence for the “Amphoteric” Nature of Fluorine in Halogen Bonds: An Instance of Cl···F Contact","Crystal Growth & Design","2012","12","4","1713","","10.1021/cg3002477","","x-ray","0.71073","MoKα","","0.0344","0.032","","","0.0846","0.0862","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506089","13.6046","0.0002","13.6046","0.0002","18.3638","0.0006","90","","90","","120","","2943.5","0.11","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Cd4 Gd2 N12 O14 -","- C120 H91.98 Cd4 Gd2 N12 O13.98 -","- C120 H91.98 Cd4 Gd2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0836","0.0565","","","0.1529","0.168","","","","","","1.057","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506090","13.3921","0.0002","13.3921","0.0002","18.379","0.0005","90","","90","","120","","2854.63","0.1","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Co4 Dy2 N12 O14 -","- C120 H85.98 Co4 Dy2 N12 O13.98 -","- C120 H85.98 Co4 Dy2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0457","0.0398","","","0.1048","0.109","","","","","","1.105","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506091","13.3242","0.0004","13.3242","0.0004","18.4954","0.0011","90","","90","","120","","2843.7","0.2","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Dy2 Fe4 N12 O14 -","- C120 H90 Dy2 Fe4 N12 O13.98 -","- C120 H90 Dy2 Fe4 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1307","0.1191","","","0.2301","0.2344","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506092","13.3193","0.0019","13.3193","0.0019","18.649","0.005","90","","90","","120","","2865.2","1","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Eu2 N12 O14 Zn4 -","- C120 H91.98 Eu2 N12 O13.98 Zn4 -","- C120 H91.98 Eu2 N12 O13.98 Zn4 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.2148","0.1493","","","0.3995","0.4369","","","","","","1.388","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506093","13.6227","0.0003","13.6227","0.0003","18.3213","0.0009","90","","90","","120","","2944.51","0.17","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Cd4 Eu2 N12 O14 -","- C120 H85.98 Cd4 Eu2 N12 O13.98 -","- C120 H85.98 Cd4 Eu2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0378","0.0339","","","0.0883","0.0919","","","","","","1.049","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506094","13.4072","0.0002","13.4072","0.0002","18.3357","0.0007","90","","90","","120","","2854.33","0.12","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Co4 Eu2 N12 O14 -","- C120 H91.98 Co4 Eu2 N12 O13.98 -","- C120 H91.98 Co4 Eu2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1001","0.0813","","","0.1523","0.1612","","","","","","1.087","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506095","13.3574","0.0003","13.3574","0.0003","18.3706","0.0012","90","","90","","120","","2838.6","0.2","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Eu2 N12 Ni4 O14 -","- C120 H91.98 Eu2 N12 Ni4 O13.98 -","- C120 H91.98 Eu2 N12 Ni4 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1818","0.1666","","","0.3452","0.3531","","","","","","1.131","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506096","13.4432","0.0002","13.4432","0.0002","18.3107","0.0004","90","","90","","120","","2865.77","0.09","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 N12 O14 Tb2 Zn4 -","- C120 H85.98 N12 O13.98 Tb2 Zn4 -","- C120 H85.98 N12 O13.98 Tb2 Zn4 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0726","0.048","","","0.1154","0.1252","","","","","","1.064","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506097","13.3911","0.0007","13.3911","0.0007","18.4749","0.0018","90","","90","","120","","2869.1","0.4","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Co4 N12 O14 Tb2 -","- C120 H85.98 Co4 N12 O13.98 Tb2 -","- C120 H85.98 Co4 N12 O13.98 Tb2 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0714","0.0516","","","0.1316","0.1434","","","","","","1.089","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506098","13.3357","0.0002","13.3357","0.0002","18.5394","0.0004","90","","90","","120","","2855.34","0.09","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 N12 Ni4 O14 Tb2 -","- C120 H85.98 N12 Ni4 O13.98 Tb2 -","- C120 H85.98 N12 Ni4 O13.98 Tb2 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0894","0.0779","","","0.1647","0.1717","","","","","","1.085","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506099","13.4647","0.0002","13.4647","0.0002","18.3963","0.0006","90","","90","","120","","2888.38","0.11","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H84 Cd4 Dy2 N12 O14 -","- C120 H84 Cd4 Dy2 N12 O13.98 -","- C120 H84 Cd4 Dy2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1056","0.0925","","","0.3132","0.3294","","","","","","1.397","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506100","13.4049","0.0001","13.4049","0.0001","18.4479","0.0002","90","","90","","120","","2870.81","0.04","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Co4 Gd2 N12 O14 -","- C120 H85.98 Co4 Gd2 N12 O13.98 -","- C120 H85.98 Co4 Gd2 N12 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0482","0.0411","","","0.0996","0.1046","","","","","","1.097","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506101","13.377","0.0003","13.377","0.0003","18.6505","0.001","90","","90","","120","","2890.27","0.18","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 Gd2 N12 Ni4 O14 -","- C120 H91.98 Gd2 N12 Ni4 O13.98 -","- C120 H91.98 Gd2 N12 Ni4 O13.98 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1298","0.1101","","","0.2949","0.311","","","","","","1.064","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506102","13.436","0.0013","13.436","0.0013","18.334","0.003","90","","90","","120","","2866.3","0.6","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 N12 O14 Sm2 Zn4 -","- C120 H85.98 N12 O13.98 Sm2 Zn4 -","- C120 H85.98 N12 O13.98 Sm2 Zn4 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.0951","0.0545","","","0.1307","0.1484","","","","","","1.041","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506103","13.3608","0.0004","13.3608","0.0004","18.6145","0.0015","90","","90","","120","","2877.7","0.3","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H84 Co4 N12 O14 Sm2 -","- C120 H90 Co4 N12 O13.98 Sm2 -","- C120 H90 Co4 N12 O13.98 Sm2 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.2134","0.1598","","","0.4232","0.4535","","","","","","1.569","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506104","13.3759","0.0002","13.3759","0.0002","18.6826","0.0004","90","","90","","120","","2894.77","0.09","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H86 N12 Ni4 O14 Sm2 -","- C120 H91.98 N12 Ni4 O13.98 Sm2 -","- C120 H91.98 N12 Ni4 O13.98 Sm2 -","1","0.0833333","","Zhu, Yan; Luo, Feng; Song, Yu-mei; Feng, Xue-feng; Luo, Ming-biao; Liao, Zhen-wei; Sun, Gong-ming; Tian, Xiao-zhao; Yuan, Zi-Jun","The First One-Pot Synthesis of Multinuclear 3d-4f Metal‒Organic Compounds Involving a Polytopic N,O-Donor Ligand Formed in Situ","Crystal Growth & Design","2012","12","5","2158","","10.1021/cg3002509","","","0.71073","MoKα","","0.1719","0.1521","","","0.4802","0.4954","","","","","","2.053","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506105","11.8214","0.0003","5.5673","0.00013","22.7603","0.0005","90","","100.356","0.002","90","","1473.53","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca O7 S -","- C14 H8 Ca O7 S -","- C56 H32 Ca4 O28 S4 -","4","1","","Banerjee, Debasis; Zhang, Zhijuan; Plonka, Anna M.; Li, Jing; Parise, John B.","A Calcium Coordination Framework Having Permanent Porosity and High CO2/N2Selectivity","Crystal Growth & Design","2012","12","5","2162","","10.1021/cg300274n","","","0.7107","MoKα","","0.0363","0.0321","","","0.096","0.0994","","","","","","1.239","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506106","11.8783","0.0005","5.5485","0.0002","22.7982","0.0008","90","","101.535","0.004","90","","1472.21","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca O6 S -","- C14 H8 Ca O6 S -","- C56 H32 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Zhang, Zhijuan; Plonka, Anna M.; Li, Jing; Parise, John B.","A Calcium Coordination Framework Having Permanent Porosity and High CO2/N2Selectivity","Crystal Growth & Design","2012","12","5","2162","","10.1021/cg300274n","","","0.7107","MoKα","","0.0517","0.0441","","","0.1132","0.1208","","","","","","1.082","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506107","10.1969","0.001","11.0817","0.0011","13.9784","0.0015","95.445","0.002","105.167","0.002","113.937","0.002","1356.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Fe N4 O14.5 -","- C26 H23 Fe N4 O14.5 -","- C52 H46 Fe2 N8 O29 -","2","1","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.0581","0.0377","","","0.0838","0.093","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506108","9.9383","0.0015","11.9425","0.0018","13.675","0.002","101.756","0.003","101.914","0.003","101.952","0.003","1501.3","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.89 H27 Fe N4 O13.77 -","- C29.8862 H23 Fe N4 O13.7724 -","- C59.7724 H46 Fe2 N8 O27.5448 -","2","1","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.0669","0.0535","","","0.1299","0.1388","","","","","","1.056","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506109","10.1267","0.0003","41.4321","0.0012","24.9603","0.0007","90","","92.417","0.001","90","","10463.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46.6 H44 Ba Fe2 N4 O31.4 -","- C46.6 H36 Ba Fe2 N4 O31.4 -","- C372.8 H288 Ba8 Fe16 N32 O251.2 -","8","2","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.0677","0.0475","","","0.1235","0.1369","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506110","10.1158","0.0012","20.723","0.003","25.027","0.003","90","","92.667","0.002","90","","5240.7","1.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H44 Ba Fe2 N4 O29 -","- C48 H40 Ba Fe2 N4 O29 -","- C192 H160 Ba4 Fe8 N16 O116 -","4","0.5","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.074","0.0525","","","0.1204","0.1314","","","","","","1.048","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506111","25.8392","0.0018","10.6613","0.0007","20.8311","0.0014","90","","112.231","0.002","90","","5312","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Ba Fe2 N4 O32 -","- C46 H38 Ba Fe2 N4 O32 -","- C184 H152 Ba4 Fe8 N16 O128 -","4","1","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.0533","0.0348","","","0.0885","0.1006","","","","","","1.084","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506112","9.8454","0.0017","32.64","0.006","11.319","0.002","90","","111.469","0.004","90","","3385","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31.75 H31 Fe N3 O16.75 -","- C31.75 H28 Fe N3 O16.75 -","- C127 H112 Fe4 N12 O67 -","4","2","","Prakash, M. Jaya; Oliver, Allen G.; Sevov, Slavi C.","Guest‒Host Frameworks of the Anionic Metal Complex [Fe(ox)3]3-and Cationic Bipyridinium-Based Linkers Bonded by Charge-Assisted Hydrogen Bonds","Crystal Growth & Design","2012","12","5","2684","","10.1021/cg300293j","","","0.71073","MoKα","","0.1862","0.0801","","","0.1704","0.2219","","","","","","0.971","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506113","10.3774","0.0013","13.9064","0.0017","13.7479","0.0016","90","","110.139","0.004","90","","1862.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Co N5 O6 S -","- C15 H17 Co N5 O6 S -","- C60 H68 Co4 N20 O24 S4 -","4","1","","Park, Ji Hye; Lee, Woo Ram; Ryu, Dae Won; Lim, Kwang Soo; Jeong, Eun A.; Phang, Won Ju; Koh, Eui Kwan; Hong, Chang Seop","Sulfate-Incorporated Co(II) Coordination Frameworks with Bis-imidazole Bridging Ligands Constructed by Covalent and Noncovalent Interactions","Crystal Growth & Design","2012","12","5","2691","","10.1021/cg300302n","","","0.71073","MoKα","","0.0917","0.0479","","","0.1141","0.1333","","","","","","1.016","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506114","28.835","0.003","7.3637","0.0007","14.1679","0.0013","90","","109.161","0.005","90","","2841.6","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Co N4 O5 S -","- C12 H10 Co N4 O5 S -","- C96 H80 Co8 N32 O40 S8 -","8","1","","Park, Ji Hye; Lee, Woo Ram; Ryu, Dae Won; Lim, Kwang Soo; Jeong, Eun A.; Phang, Won Ju; Koh, Eui Kwan; Hong, Chang Seop","Sulfate-Incorporated Co(II) Coordination Frameworks with Bis-imidazole Bridging Ligands Constructed by Covalent and Noncovalent Interactions","Crystal Growth & Design","2012","12","5","2691","","10.1021/cg300302n","","","0.71073","MoKα","","0.0709","0.046","","","0.1191","0.1404","","","","","","1.099","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506115","14.352","0.0003","14.352","0.0003","6.2985","0.0003","90","","90","","90","","1297.36","0.07","296","2","296","2","","","","","","","","6","P -4","P -4","81","","","","- C24 H24 Co N8 O6 S -","- C24 H20 Co N8 O6 S -","- C48 H40 Co2 N16 O12 S2 -","2","0.5","","Park, Ji Hye; Lee, Woo Ram; Ryu, Dae Won; Lim, Kwang Soo; Jeong, Eun A.; Phang, Won Ju; Koh, Eui Kwan; Hong, Chang Seop","Sulfate-Incorporated Co(II) Coordination Frameworks with Bis-imidazole Bridging Ligands Constructed by Covalent and Noncovalent Interactions","Crystal Growth & Design","2012","12","5","2691","","10.1021/cg300302n","","","0.71073","MoKα","","0.0517","0.0444","","","0.1204","0.1246","","","","","","1.075","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506116","20.244","0.012","18.179","0.009","13.766","0.007","90","","99.48","0.02","90","","4997","5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H22 Cl2 F24 N8 Pd2 -","- C44 H22 Cl2 F24 N8 Pd2 -","- C176 H88 Cl8 F96 N32 Pd8 -","4","1","","Mastropietro, Teresa F.; Aprea, Alessia; La Deda, Massimo; Aiello, Iolinda; Ghedini, Mauro; Crispini, Alessandra","Role of Fluorine Interactions in the Solid State Structure and Photophysical Properties of 3,5-Disubstituted-2-(2′-pyridyl)pyrrole Pd(II) Complexes","Crystal Growth & Design","2012","12","5","2173","","10.1021/cg300369w","","","0.71073","MoKα","","0.0583","0.0365","","","0.087","0.1005","","","","","","0.982","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506117","8.8491","0.0005","9.8091","0.0005","23.6058","0.0013","90","","90","","90","","2049.02","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl N4 Pd -","- C22 H23 Cl N4 Pd -","- C88 H92 Cl4 N16 Pd4 -","4","1","","Mastropietro, Teresa F.; Aprea, Alessia; La Deda, Massimo; Aiello, Iolinda; Ghedini, Mauro; Crispini, Alessandra","Role of Fluorine Interactions in the Solid State Structure and Photophysical Properties of 3,5-Disubstituted-2-(2′-pyridyl)pyrrole Pd(II) Complexes","Crystal Growth & Design","2012","12","5","2173","","10.1021/cg300369w","","","0.71073","MoKα","","0.0293","0.0238","","","0.0578","0.0607","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506127","20.595","0.001","12.2615","0.0008","26.1223","0.0018","90","","92.572","0.003","90","","6589.9","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 I5 K N2 O6 -","- C20 H36 I5 K N2 O6 -","- C160 H288 I40 K8 N16 O48 -","8","1","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0626","0.0448","","","0.1045","0.1146","","","","","","1.162","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506128","20.573","0.003","12.2683","0.0014","26.225","0.003","90","","92.017","0.003","90","","6615","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 I5 N2 O6 Rb -","- C20 H36 I5 N2 O6 Rb -","- C160 H288 I40 N16 O48 Rb8 -","8","1","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.1174","0.0686","","","0.161","0.1806","","","","","","1.123","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506129","11.818","0.002","11.818","0.002","44.264","0.009","90","","90","","120","","5353.9","1.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H36 I7 N2 Na O6 -","- C21 H36 I7 N2 Na O6 -","- C126 H216 I42 N12 Na6 O36 -","6","0.333333","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0819","0.0786","","","0.1815","0.1836","","","","","","1.187","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506130","12.045","0.0017","12.045","0.0017","43.88","0.009","90","","90","","120","","5513.3","1.6","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H72 I14 K2 N4 O12 -","- C42 H72 I14 K2 N4 O12 -","- C126 H216 I42 K6 N12 O36 -","3","0.166667","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0657","0.0494","","","0.1325","0.1394","","","","","","1.045","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4506131","12.205","0.0005","12.205","0.0005","43.361","0.002","90","","90","","120","","5593.8","0.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H72 I14 N4 O12 Rb2 -","- C42 H72 I14 N4 O12 Rb2 -","- C126 H216 I42 N12 O36 Rb6 -","3","0.166667","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.07","0.063","","","0.1508","0.1551","","","","","","1.08","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4506132","14.491","0.001","14.491","0.001","8.9118","0.0005","90","","90","","120","","1620.66","0.18","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C27 H52 I7 Na O14 -","- C3 I7 -","- C6 I14 -","2","0.0833333","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.136","0.1357","","","0.2961","0.2962","","","","","","1.121","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506133","14.643","0.005","14.643","0.005","8.933","0.003","90","","90","","120","","1658.8","1","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C27 H52 I7 K O14 -","- C3 I7 K0.625 O1.5 -","- C6 I14 K1.25 O3 -","2","0.0833333","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.1175","0.1175","","","0.2548","0.2548","","","","","","1.049","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506134","14.66","0.002","14.66","0.002","8.95","0.0018","90","","90","","120","","1665.8","0.5","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C27 H52 I7 O14 Rb -","- C3 I7 Rb0.5 -","- C6 I14 Rb -","2","0.0833333","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.2294","0.2294","","","0.4117","0.4117","","","","","","1.191","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506135","9.7118","0.0014","14.9503","0.0019","25.8","0.003","90","","90","","90","","3746","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 I7 K N2 O6 -","- C20 H36 I7 K N2 O6 -","- C80 H144 I28 K4 N8 O24 -","4","1","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0809","0.075","","","0.1807","0.189","","","","","","1.1","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506136","9.7339","0.001","14.9557","0.0004","25.7708","0.0007","90","","90","","90","","3751.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 I7 N2 O6 Rb -","- C20 H36 I7 N2 O6 Rb -","- C80 H144 I28 N8 O24 Rb4 -","4","1","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0932","0.0871","","","0.1582","0.1612","","","","","","1.173","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506137","10.4063","0.0012","9.3137","0.0011","23.889","0.003","90","","91.603","0.002","90","","2314.4","0.5","273","2","273","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H38 Co2 N4 O17 -","- C41 H38 Co2 N4 O17 -","- C82 H76 Co4 N8 O34 -","2","0.5","","Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2012","12","7","3426","","10.1021/cg201362x","","","0.71073","MoKα","","0.0668","0.0578","","","0.1557","0.1608","","","","","","1.082","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506138","10.7263","0.0016","9.0056","0.0013","12.9899","0.0019","90","","104.047","0.003","90","","1217.3","0.3","293","2","293","2","","","","","","","","5","P 1 2 1","P 2y","3","","","","- C41 H30 N4 O14 Zn2 -","- C41 H30 N4 O14 Zn2 -","- C41 H30 N4 O14 Zn2 -","1","0.5","","Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2012","12","7","3426","","10.1021/cg201362x","","","0.71073","MoKα","","0.0491","0.0419","","","0.0858","0.088","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506139","9.5307","0.0014","14.028","0.002","36.112","0.005","90","","95.256","0.003","90","","4807.8","1.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 Co3 N4 O17 -","- C43 H30 Co3 N4 O17 -","- C172 H120 Co12 N16 O68 -","4","1","","Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2012","12","7","3426","","10.1021/cg201362x","","","0.71073","MoKα","","0.0661","0.0538","","","0.128","0.1337","","","","","","1.045","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506140","16.1936","0.0009","16.1936","0.0009","29.884","0.003","90","","90","","90","","7836.6","1","291","2","291","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C45 H32 N4 O20 Zn2 -","- C45 H32 N4 O20 Zn2 -","- C360 H256 N32 O160 Zn16 -","8","0.25","","Hu, Jin-Song; Yao, Xiao-Qiang; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen; Xue, Zi-Ling","Syntheses, Structures, and Characteristics of Four New Metal‒Organic Frameworks Based on Flexible Tetrapyridines and Aromatic Polycarboxylate Acids","Crystal Growth & Design","2012","12","7","3426","","10.1021/cg201362x","","","0.71073","MoKα","","0.0573","0.0419","","","0.1105","0.1147","","","","","","1.06","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506141","10.698","0.0004","11.0555","0.0006","11.2465","0.0006","90","","109.137","0.004","90","","1256.64","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","","- C28 H32 B2 O4 -","- C28 H32 B2 O4 -","- C56 H64 B4 O8 -","2","0.5","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.0518","0.0409","","","0.1144","0.1213","","","","","","1.055","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506142","6.4525","0.0001","11.0823","0.0002","16.9139","0.0003","90","","93.286","0.009","90","","1207.5","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","","- C28 H32 B2 O4 -","- C28 H32 B2 O4 -","- C56 H64 B4 O8 -","2","0.5","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","1.54184","CuKα","","0.0485","0.04","","","0.1022","0.1096","","","","","","1.045","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506143","7.2546","0.0005","9.8024","0.0006","11.9441","0.0008","107.848","0.015","100.289","0.014","101.533","0.015","765.52","0.14","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane), toluene solvate","","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","1","0.5","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.0917","0.067","","","0.1772","0.2007","","","","","","1.013","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506144","6.605","0.0004","19.8267","0.0012","11.729","0.0007","90","","91.997","0.01","90","","1535.04","0.16","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane), toluene solvate","","- C35 H40 B2 O4 -","- C35 H40 B2 O4 -","- C70 H80 B4 O8 -","2","0.5","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.1034","0.0546","","","0.1458","0.1682","","","","","","1.032","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506145","6.9162","0.0003","11.7567","0.0005","11.8539","0.0005","76.707","0.006","80.15","0.006","81.976","0.007","919.14","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) : hexafluorobenzene, 1:2 complex","","- C40 H32 B2 F12 O4 -","- C40 H32 B2 F12 O4 -","- C40 H32 B2 F12 O4 -","1","0.5","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.0504","0.0408","","","0.1124","0.1213","","","","","","1.03","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506146","25.4025","0.0014","7.3852","0.0004","30.8651","0.0015","90","","113.387","0.01","90","","5314.7","0.6","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pyrene-2-Bpin","4,4,5,5-Tetramethyl-2-pyrene-2-yl-[1,3,2]dioxaborolane","","- C22 H21 B O2 -","- C22 H21 B O2 -","- C264 H252 B12 O24 -","12","3","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.0508","0.036","","","0.0855","0.0964","","","","","","1.014","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506147","6.9518","0.0004","19.7285","0.0012","20.8481","0.0012","70.167","0.002","82.018","0.002","87.411","0.002","2663.6","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4,4,5,5-Tetramethyl-2-pyrene-2-yl-[1,3,2]dioxaborolane","","- C22 H21 B O2 -","- C22 H21 B O2 -","- C132 H126 B6 O12 -","6","3","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.0832","0.0423","","","0.083","0.0937","","","","","","0.857","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506148","26.5783","0.0019","26.5783","0.0019","6.7405","0.001","90","","90","","90","","4761.5","0.9","120","2","120","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","4,4,5,5-Tetramethyl-2-pyren-2-yl-[1,3,2]dioxaborolane : hexafluorobenzene molecular complex (1:1)","","- C28 H21 B F6 O2 -","- C28 H21 B F6 O2 -","- C224 H168 B8 F48 O16 -","8","1","","Batsanov, Andrei S.; Howard, Judith A. K.; Albesa-Jové, David; Collings, Jonathan C.; Liu, Zhiqiang; Mkhalid, Ibraheem A. I.; Thibault, Marie-Hélène; Marder, Todd B.","Structural Versatility of Pyrene-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane) and Pyrene-2,7-bis(4,4,5,5-tetramethyl-[1,3,2]dioxaborolane)","Crystal Growth & Design","2012","12","6","2794","","10.1021/cg201554t","","","0.71073","MoKα","","0.1459","0.0802","","","0.1054","0.1216","","","","","","1.128","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506149","6.7367","0.0003","11.1967","0.0004","6.7849","0.0003","90","","109.688","0.005","90","","481.86","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H17 Br N2 -","- C8 H17 Br N2 -","- C16 H34 Br2 N4 -","2","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.0567","0.0316","","","0.0424","0.0443","","","","","","0.759","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506150","8.8376","0.0002","12.9393","0.0003","14.6165","0.0003","90","","90","","90","","1671.43","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 F6 N3 O4 S2 -","- C10 H17 F6 N3 O4 S2 -","- C40 H68 F24 N12 O16 S8 -","4","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.0516","0.0317","","","0.0562","0.0598","","","","","","0.903","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506151","8.915","0.0003","12.9922","0.0005","14.7871","0.0004","90","","90","","90","","1712.72","0.1","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 F6 N3 O4 S2 -","- C10 H17 F6 N3 O4 S2 -","- C40 H68 F24 N12 O16 S8 -","4","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.081","0.0478","","","0.0914","0.0998","","","","","","0.935","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506152","8.9626","0.0002","13.0484","0.0003","14.9163","0.0003","90","","90","","90","","1744.43","0.07","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 F6 N3 O4 S2 -","- C10 H17 F6 N3 O4 S2 -","- C40 H68 F24 N12 O16 S8 -","4","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.1085","0.0605","","","0.1168","0.1342","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506153","15.313","0.003","7.7984","0.0016","14.329","0.003","90","","117.31","0.03","90","","1520.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 Cu N2 -","- C12 H12 Cl4 Cu N2 -","- C48 H48 Cl16 Cu4 N8 -","4","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-Directed Assembly of Azide-Bridged Tetranuclear, One-Dimensional and Two-Dimensional Cu(II) Complexes: Synthesis, Crystal Structure and Magnetic Properties","Crystal Growth & Design","2012","12","7","3436","","10.1021/cg201605w","","","0.71073","MoKα","","0.0467","0.0307","","","0.0722","0.1047","","","","","","1.073","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506154","19.966","0.004","9.322","0.0019","23.931","0.005","90","","91.34","0.03","90","","4452.9","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Cl7 Cu4 N19 O2 -","- C26 H32 Cl7 Cu4 N19 O2 -","- C104 H128 Cl28 Cu16 N76 O8 -","4","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-Directed Assembly of Azide-Bridged Tetranuclear, One-Dimensional and Two-Dimensional Cu(II) Complexes: Synthesis, Crystal Structure and Magnetic Properties","Crystal Growth & Design","2012","12","7","3436","","10.1021/cg201605w","","","0.71073","MoKα","","0.0442","0.032","","","0.0864","0.0928","","","","","","1.054","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506155","5.5877","0.0002","11.4773","0.0005","12.0637","0.0006","90","","99.071","0.001","90","","763.99","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Cl2 Cu2 N14 -","- C4 H12 Cl2 Cu2 N14 -","- C8 H24 Cl4 Cu4 N28 -","2","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-Directed Assembly of Azide-Bridged Tetranuclear, One-Dimensional and Two-Dimensional Cu(II) Complexes: Synthesis, Crystal Structure and Magnetic Properties","Crystal Growth & Design","2012","12","7","3436","","10.1021/cg201605w","","","0.71073","MoKα","","0.0329","0.0255","","","0.0602","0.0691","","","","","","1.098","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506156","12.279","0.003","11.242","0.002","12.789","0.003","90","","111.26","0.03","90","","1645.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 Cu5 N32 -","- C12 H12 Cl2 Cu5 N32 -","- C24 H24 Cl4 Cu10 N64 -","2","0.5","","Shi, Wen-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-Directed Assembly of Azide-Bridged Tetranuclear, One-Dimensional and Two-Dimensional Cu(II) Complexes: Synthesis, Crystal Structure and Magnetic Properties","Crystal Growth & Design","2012","12","7","3436","","10.1021/cg201605w","","","0.71073","MoKα","","0.1521","0.0588","","","0.1122","0.154","","","","","","0.961","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506157","11.6733","0.001","7.8997","0.0008","16.1755","0.0015","90","","98.79","0.001","90","","1474.1","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N6 -","- C36 H24 N6 -","- C72 H48 N12 -","2","0.5","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.1168","0.0464","","","0.061","0.0701","","","","","","0.965","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506158","8.8313","0.0005","9.821","0.0006","20.9307","0.0013","78.332","0.001","81.613","0.001","67.086","0.001","1633.02","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H31 N7 O -","- C39 H31 N7 O -","- C78 H62 N14 O2 -","2","1","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.069","0.053","","","0.1524","0.1677","","","","","","1.041","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506159","12.68","0.0012","12.7101","0.0013","15.9598","0.0015","74.42","0.001","80.029","0.002","81.581","0.002","2426.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H14 N3 O3.5 Zn -","- C19.5 H14 N3 O3.5 Zn -","- C78 H56 N12 O14 Zn4 -","4","2","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.2443","0.1198","","","0.2332","0.2423","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506160","19.6356","0.0009","16.0764","0.0008","30.783","0.003","90","","101.453","0.006","90","","9523.8","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H16 Br2 Cl3 Hg N3 O0.5 -","- C19.5 H16 Br2 Cl3 Hg N3 O0.5 -","- C312 H256 Br32 Cl48 Hg16 N48 O8 -","16","2","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.1153","0.0866","","","0.2539","0.2762","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506161","20.613","0.002","12.798","0.0011","18.8901","0.0017","90","","104.45","0.001","90","","4825.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H75 Cd2 Cl4 N15 O6 -","- C81 H75 Cd2 Cl4 N15 O6 -","- C162 H150 Cd4 Cl8 N30 O12 -","2","0.5","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.1661","0.0761","","","0.2096","0.2387","","","","","","1.035","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506162","8.4628","0.0012","10.664","0.0015","11.8808","0.0019","80.511","0.001","70.403","0.001","86.894","0.002","996.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H25 Cl Cu2 I2 N6 -","- C36.5 H25 Cl Cu2 I2 N6 -","- C36.5 H25 Cl Cu2 I2 N6 -","1","0.5","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.124","0.0651","","","0.1425","0.1597","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506163","7.7348","0.0007","10.3163","0.0011","24.542","0.002","90","","90.353","0.001","90","","1958.3","0.3","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C36 H24 Br2 Cd N6 -","- C36 H24 Br2 Cd N6 -","- C72 H48 Br4 Cd2 N12 -","2","0.5","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.1725","0.0731","","","0.1454","0.1635","","","","","","1.045","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506164","13.0282","0.0013","9.5994","0.0008","17.9846","0.0017","90","","90.216","0.001","90","","2249.2","0.4","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Ag N4 O5 -","- C18 H16 Ag N4 O5 -","- C72 H64 Ag4 N16 O20 -","4","1","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.1297","0.0776","","","0.2027","0.2344","","","","","","0.883","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506165","10.1093","0.0012","13.057","0.0013","24.359","0.0019","85.542","0.002","85.314","0.002","80.749","0.001","3156.1","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H84 Cd6 N22 O24 S6 -","- C116 H84 Cd6 N22 O24 S6 -","- C116 H84 Cd6 N22 O24 S6 -","1","0.5","","Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu","Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers","Crystal Growth & Design","2012","12","7","3465","","10.1021/cg201655n","","","0.71073","MoKα","","0.0926","0.0525","","","0.1157","0.1279","","","","","","1.041","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506166","8.8882","0.0004","8.9048","0.0004","12.3155","0.0006","73.268","0.001","85.146","0.001","81.301","0.001","921.87","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","1","1","","Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.","Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions","Crystal Growth & Design","2012","12","6","2719","","10.1021/cg300044v","","","0.71073","MoKα","","0.0511","0.0505","","","0.1349","0.1357","","","","","","1.015","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506167","8.891","0.0006","8.9127","0.0007","12.3096","0.0008","73.314","0.003","85.193","0.004","81.33","0.004","922.85","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","1","1","","Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.","Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions","Crystal Growth & Design","2012","12","6","2719","","10.1021/cg300044v","","","0.71073","MoKα","","0.0643","0.0611","","","0.1559","0.1597","","","","","","1.028","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506168","11.6774","0.0006","13.3074","0.0006","23.8176","0.0012","90","","98.373","0.003","90","","3661.7","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H54 Cu N4 O6 -","- C38 H54 Cu N4 O6 -","- C152 H216 Cu4 N16 O24 -","4","1","","Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.","Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions","Crystal Growth & Design","2012","12","6","2719","","10.1021/cg300044v","","","0.71073","MoKα","","0.0695","0.0475","","","0.1075","0.1174","","","","","","0.987","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506169","30.212","0.008","14.544","0.003","19.125","0.004","90","","117.215","0.008","90","","7473","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C60 H64 Cu2 N4 O8 -","- C60 H64 Cu2 N4 O8 -","- C240 H256 Cu8 N16 O32 -","4","1","","Degenbeck, H.; Felten, A.-S.; Etxebarria, J.; Escudero-Adán, E. C.; Benet-Buchholz, J.; Vidal-Ferran, A.","Crystallization-Induced Dynamic Resolution of Stereolabile Biaryl Derivatives Involving Supramolecular Interactions","Crystal Growth & Design","2012","12","6","2719","","10.1021/cg300044v","","","0.71073","MoKα","","0.1215","0.0809","","","0.2005","0.2231","","","","","","0.937","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506170","3.781","0.0007","17.026","0.0015","10.941","0.004","90","","97.51","0.003","90","","698.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","H(3PCO)","3-Pyridyl-cyanoxime","","- C7 H5 N3 O -","- C7 H5 N3 O -","- C28 H20 N12 O4 -","4","1","","Marcano, Daniela; Gerasimchuk, Nikolay; Nemykin, Victor; Silchenko, Svitlana","Synthesis, Characterization, and Studies of Coordination-Polymeres With Isomeric Pyridylcyanoximes: Route to Metal Ribbons With Very Short Tl···Tl Separations","Crystal Growth & Design","2012","12","6","2877","","10.1021/cg3000763","","","0.71069","MoKα","","0.2488","0.0777","","","0.1513","0.1921","","","","","","0.797","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506171","3.728","0.003","13.938","0.009","13.008","0.009","90","","90.474","0.009","90","","675.9","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","H(4PCO)","Oximino-(cyano)-4-pyridine","","- C7 H5 N3 O -","- C7 H5 N3 O -","- C28 H20 N12 O4 -","4","1","","Marcano, Daniela; Gerasimchuk, Nikolay; Nemykin, Victor; Silchenko, Svitlana","Synthesis, Characterization, and Studies of Coordination-Polymeres With Isomeric Pyridylcyanoximes: Route to Metal Ribbons With Very Short Tl···Tl Separations","Crystal Growth & Design","2012","12","6","2877","","10.1021/cg3000763","","","0.71073","MoKα","","0.1373","0.0792","","","0.1757","0.2067","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506172","3.7364","0.0008","9.365","0.002","12.156","0.003","68.14","0.002","86.965","0.003","79.763","0.003","388.45","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Tl(3PCO)","Thallium(I) 3-pyridylcyanoximate","","- C7 H4 N3 O Tl -","- C7 H4 N3 O Tl -","- C14 H8 N6 O2 Tl2 -","2","1","","Marcano, Daniela; Gerasimchuk, Nikolay; Nemykin, Victor; Silchenko, Svitlana","Synthesis, Characterization, and Studies of Coordination-Polymeres With Isomeric Pyridylcyanoximes: Route to Metal Ribbons With Very Short Tl···Tl Separations","Crystal Growth & Design","2012","12","6","2877","","10.1021/cg3000763","","","0.71073","MoKα","","0.0293","0.0262","","","0.06","0.0614","","","","","","1.092","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506173","3.899","0.0004","12.38","0.0013","16.7563","0.0017","90","","93.536","0.002","90","","807.28","0.14","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tl(4PCO)","Thallium(I) 4-pyridylcyanoximate","","- C7 H4 N3 O Tl -","- C7 H4 N3 O Tl -","- C28 H16 N12 O4 Tl4 -","4","1","","Marcano, Daniela; Gerasimchuk, Nikolay; Nemykin, Victor; Silchenko, Svitlana","Synthesis, Characterization, and Studies of Coordination-Polymeres With Isomeric Pyridylcyanoximes: Route to Metal Ribbons With Very Short Tl···Tl Separations","Crystal Growth & Design","2012","12","6","2877","","10.1021/cg3000763","","","0.71073","MoKα","","0.0822","0.0589","","","0.1401","0.1533","","","","","","1.045","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506174","16.33","0.003","23.484","0.004","14.805","0.002","90","","90","","90","","5677.6","1.6","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H49.5 Cu6 N16 O12 -","- C44.92 H42.24 Cu6 N16 O11.8 -","- C179.68 H168.96 Cu24 N64 O47.2 -","4","0.5","","Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Guedes da Silva, M. Fátima C.; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Pombeiro, Armando J. L.","New Coordination Polymers and Porous Supramolecular Metal Organic Network Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bypiridine. 1°","Crystal Growth & Design","2012","12","6","2890","","10.1021/cg300080a","","","0.71073","MoKα","","0.0982","0.0661","","","0.111","0.1228","","","","","","1.128","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506175","12.58","0.002","24.563","0.005","33.566","0.007","90","","90","","90","","10372","3","298","2","298","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C21 H16 Ag2 N4 O2 -","- C21 H16 Ag2 N4 O2 -","- C336 H256 Ag32 N64 O32 -","16","0.5","","Sun, Di; Yan, Zhi-Hao; Liu, Meijiao; Xie, Hanyi; Yuan, Shuai; Lu, Haifeng; Feng, Shengyu; Sun, Daofeng","Three- and Eight-Fold Interpenetrated ThSi2Metal‒Organic Frameworks Fine-Tuned by the Length of Ligand","Crystal Growth & Design","2012","12","6","2902","","10.1021/cg300085f","","","0.71073","","","0.0631","0.0566","","","0.1545","0.1638","","","","","","1.093","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506176","26.397","0.002","8.3246","0.0007","18.7008","0.0015","90","","90","","90","","4109.4","0.6","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C17 H12 Ag N2 O2 -","- C17 H12 Ag N2 O2 -","- C136 H96 Ag8 N16 O16 -","8","1","","Sun, Di; Yan, Zhi-Hao; Liu, Meijiao; Xie, Hanyi; Yuan, Shuai; Lu, Haifeng; Feng, Shengyu; Sun, Daofeng","Three- and Eight-Fold Interpenetrated ThSi2Metal‒Organic Frameworks Fine-Tuned by the Length of Ligand","Crystal Growth & Design","2012","12","6","2902","","10.1021/cg300085f","","","0.71073","MoKα","","0.0415","0.0318","","","0.0828","0.0866","","","","","","1.037","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506177","9.376","0.003","12.139","0.004","13.585","0.004","90","","90.636","0.005","90","","1546.1","0.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0369","0.0326","","","0.085","0.088","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506178","9.4455","0.0019","12.131","0.002","13.454","0.003","90","","90.798","0.002","90","","1541.5","0.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C72 H56 F4 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0396","0.034","","","0.0859","0.0903","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506179","8.196","0.003","9.587","0.003","11.427","0.004","101.227","0.003","108.692","0.003","103.611","0.004","790.3","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C36 H28 F2 N2 O6 S2 -","2","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0402","0.0352","","","0.0883","0.0916","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506180","9.489","0.0019","12.364","0.003","13.425","0.003","90","","91.139","0.002","90","","1574.7","0.6","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C72 H56 F4 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0395","0.0332","","","0.0835","0.0875","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506181","8.664","0.008","16.092","0.015","12.122","0.011","90","","101.455","0.011","90","","1656","3","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C72 H56 F4 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.1002","0.0613","","","0.1853","0.2305","","","","","","0.965","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506182","8.25","0.003","9.528","0.003","11.468","0.004","102.597","0.004","107.235","0.004","104.579","0.003","790.4","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C36 H28 F2 N2 O6 S2 -","2","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0837","0.0542","","","0.1275","0.1433","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506183","9.667","0.002","5.5354","0.0012","28.746","0.006","90","","97.79","0.002","90","","1524","0.6","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F N O3 S -","- C18 H14 F N O3 S -","- C72 H56 F4 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.06","0.0408","","","0.0969","0.1052","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506184","8.865","0.003","19.508","0.006","9.849","0.003","90","","98.662","0.003","90","","1683.8","0.9","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 F5 N O3 S -","- C18 H10 F5 N O3 S -","- C72 H40 F20 N4 O12 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0364","0.0323","","","0.0829","0.085","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506185","7.887","0.003","5.8359","0.0019","17.557","0.006","90","","93.745","0.004","90","","806.4","0.5","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H10 F5 N O3 S -","- C18 H10 F5 N O3 S -","- C36 H20 F10 N2 O6 S2 -","2","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0384","0.033","","","0.0756","0.0782","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506186","9.363","0.003","24.015","0.008","9.747","0.003","90","","101.286","0.004","90","","2149.3","1.2","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F5 N O4 S -","- C22 H18 F5 N O4 S -","- C88 H72 F20 N4 O16 S4 -","4","1","","Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Polymorphism of Aromatic Sulfonamides with Fluorine Groups","Crystal Growth & Design","2012","12","6","2908","","10.1021/cg300098q","","","0.71073","MoKα","","0.0846","0.0795","","","0.1864","0.19","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506187","32.308","0.006","12.271","0.002","20.7","0.004","90","","90","","90","","8207","3","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C84 H100 Dy4 O36 S8 -","- C84 H100 Dy4 O36 S8 -","- C168 H200 Dy8 O72 S16 -","2","0.25","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Syntheses, Crystal Structures, and Magnetic Properties of Twop-tert-Butylsulfonylcalix[4]arene Supported Cluster Complexes with a Totally Disordered Ln4(OH)4Cubane Core","Crystal Growth & Design","2012","12","6","2948","","10.1021/cg300173t","","","0.71073","MoKα","","0.0823","0.0658","","","0.1811","0.1899","","","","","","1.011","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506188","32.268","0.006","12.356","0.002","20.79","0.004","90","","90","","90","","8289","3","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C84 H100 Ho4 O36 S8 -","- C84 H100 Ho4 O36 S8 -","- C168 H200 Ho8 O72 S16 -","2","0.25","","Liu, Cai-Ming; Zhang, De-Qing; Hao, Xiang; Zhu, Dao-Ben","Syntheses, Crystal Structures, and Magnetic Properties of Twop-tert-Butylsulfonylcalix[4]arene Supported Cluster Complexes with a Totally Disordered Ln4(OH)4Cubane Core","Crystal Growth & Design","2012","12","6","2948","","10.1021/cg300173t","","","0.71073","MoKα","","0.0688","0.0594","","","0.1718","0.1779","","","","","","1.059","","","","has coordinates,has disorder","179597","2020-10-21","18:00:00",""
"4506189","10.4668","0.0004","23.066","0.0009","6.9667","0.0002","90","","90","","90","","1681.95","0.1","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","Pridopidine hydrochloride form I","","","- C15 H24 Cl N O2 S -","- C15 H24 Cl N O2 S -","- C60 H96 Cl4 N4 O8 S4 -","4","1","","Zimmermann, Anne; Frøstrup, Brian; Bond, Andrew D.","Polymorphs of Pridopidine Hydrochloride","Crystal Growth & Design","2012","12","6","2961","","10.1021/cg300185n","","","0.71073","MoKα","","0.0384","0.0295","","","0.0674","0.0701","","","","","","1.038","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506190","12.2441","0.0004","13.4701","0.0004","10.2207","0.0003","90","","91.117","0.001","90","","1685.37","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pridopidine hydrochloride form II","","","- C15 H24 Cl N O2 S -","- C15 H24 Cl N O2 S -","- C60 H96 Cl4 N4 O8 S4 -","4","1","","Zimmermann, Anne; Frøstrup, Brian; Bond, Andrew D.","Polymorphs of Pridopidine Hydrochloride","Crystal Growth & Design","2012","12","6","2961","","10.1021/cg300185n","","","0.71073","MoKα","","0.0526","0.0377","","","0.0989","0.1064","","","","","","1.067","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506191","5.6947","0.001","8.1334","0.0013","25.063","0.005","90","","90","","90","","1160.8","0.4","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O S -","- C13 H12 O S -","- C52 H48 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0542","0.0386","","","0.0952","0.1029","","","","","","1.064","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506192","16.011","0.003","32.093","0.006","4.0823","0.0008","90","","90","","90","","2097.7","0.7","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C12 H8 O S2 -","- C12 H8 O S2 -","- C96 H64 O8 S16 -","8","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0336","0.0296","","","0.0662","0.0685","","","","","","1.125","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506193","5.505","0.0005","9.1593","0.0009","13.5985","0.0013","83.769","0.002","86.622","0.002","84.422","0.002","677.57","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 O S -","- C16 H18 O S -","- C32 H36 O2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0315","0.0297","","","0.0798","0.0816","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506194","10.2726","0.0019","10.3038","0.0019","11.177","0.002","113.093","0.004","108.007","0.005","100.815","0.005","968.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 F4 I2 O S -","- C18 H10 F4 I2 O S -","- C36 H20 F8 I4 O2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0446","0.0286","","","0.0547","0.0617","","","","","","1.045","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506195","9.5808","0.0006","22.0739","0.0015","9.5433","0.0006","90","","91.15","0.001","90","","2017.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F4 I2 O S -","- C19 H12 F4 I2 O S -","- C76 H48 F16 I8 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0594","0.0388","","","0.0902","0.1025","","","","","","1.025","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506196","14.198","0.004","5.8227","0.0017","24.354","0.005","90","","90.205","0.005","90","","2013.3","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F4 I2 O S -","- C19 H12 F4 I2 O S -","- C76 H48 F16 I8 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0596","0.033","","","0.0632","0.0731","","","","","","1.028","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506197","8.1472","0.0017","8.474","0.002","15.551","0.004","99.47","0.004","98.137","0.008","94.507","0.004","1042.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H12 F4 I2 O2 S -","- C19 H12 F4 I2 O2 S -","- C38 H24 F8 I4 O4 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0466","0.0365","","","0.0873","0.0942","","","","","","1.032","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506198","4.1227","0.0007","27.533","0.004","13.44","0.002","90","","97.344","0.003","90","","1513.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 F2 I O S2 -","- C15 H8 F2 I O S2 -","- C60 H32 F8 I4 O4 S8 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0661","0.0572","","","0.1451","0.1492","","","","","","1.198","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506199","5.5999","0.0011","12.995","0.003","13.328","0.003","100.059","0.007","95.123","0.007","95.356","0.007","945.3","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 F2 I O S -","- C19 H18 F2 I O S -","- C38 H36 F4 I2 O2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.057","0.0353","","","0.0775","0.0851","","","","","","1.023","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506200","17.031","0.005","17.031","0.005","13.922","0.004","90","","90","","120","","3497.1","1.8","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Co2 N12 O6 -","- C63 H39 Cl Co2 N12 O6 -","- C126 H78 Cl2 Co4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Aijaz, Arshad; Ahmad, Musheer; Sañudo, E. Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Two New Coordination Polymers with Co(II) and Mn(II): Selective Gas Adsorption and Magnetic Studies","Crystal Growth & Design","2012","12","6","2999","","10.1021/cg300217v","","","0.71073","MoKα","","0.1043","0.073","","","0.1817","0.1957","","","","","","0.949","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506201","13.611","0.005","14.58","0.006","15.041","0.004","71.922","0.003","65.006","0.004","80.586","0.006","2570","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H78 Mn3 N24 O12 -","- C126 H78 Mn3 N24 O12 -","- C126 H78 Mn3 N24 O12 -","1","0.5","","Agarwal, Rashmi A.; Aijaz, Arshad; Ahmad, Musheer; Sañudo, E. Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Two New Coordination Polymers with Co(II) and Mn(II): Selective Gas Adsorption and Magnetic Studies","Crystal Growth & Design","2012","12","6","2999","","10.1021/cg300217v","","","0.71073","MoKα","","0.178","0.0974","","","0.2423","0.3579","","","","","","1.039","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506202","9.7156","0.0019","10.047","0.002","11.134","0.002","67.25","0.03","77.74","0.03","66.87","0.03","919.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N O8 Zn2 -","- C20 H12 N O8 Zn2 -","- C40 H24 N2 O16 Zn4 -","2","1","","He, Kun-Huan; Li, Yun-Wu; Chen, Yong-Qiang; Song, Wei-Chao; Bu, Xian-He","Employing Zinc Clusters as SBUs To Construct (3,8) and (3,14)-Connected Coordination Networks: Structures, Topologies, and Luminescence","Crystal Growth & Design","2012","12","6","2730","","10.1021/cg300218z","","","0.71073","MoKα","","0.066","0.0444","","","0.0727","0.0773","","","","","","1.072","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506203","11.419","0.002","12.719","0.003","13.441","0.003","96.63","0.03","111.56","0.03","90.8","0.03","1800.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H58 N4 O37 Zn7 -","- C74 H40 N4 O37 Zn7 -","- C74 H40 N4 O37 Zn7 -","1","0.5","","He, Kun-Huan; Li, Yun-Wu; Chen, Yong-Qiang; Song, Wei-Chao; Bu, Xian-He","Employing Zinc Clusters as SBUs To Construct (3,8) and (3,14)-Connected Coordination Networks: Structures, Topologies, and Luminescence","Crystal Growth & Design","2012","12","6","2730","","10.1021/cg300218z","","","0.71073","MoKα","","0.0778","0.0586","","","0.1406","0.1509","","","","","","1.025","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506204","7.2331","0.001","7.9989","0.0011","13.7505","0.0018","79.317","0.002","78.741","0.002","71.096","0.001","731.74","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Ag2 N12 O8 -","- C26 H26 Ag2 N12 O8 -","- C26 H26 Ag2 N12 O8 -","1","0.5","","Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures ofN6-Methoxyadenine Imino Tautomer‒Silver Complexes","Crystal Growth & Design","2012","12","6","3025","","10.1021/cg300231r","","","0.71073","MoKα","","0.0749","0.0484","","","0.1037","0.1725","","","","","","1.26","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506205","22.321","0.004","12.638","0.003","31.194","0.004","90","","95.07","0.04","90","","8765","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H84 Ag4 N34 O22 -","- C78 H84 Ag4 N34 O22 -","- C312 H336 Ag16 N136 O88 -","4","1","","Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures ofN6-Methoxyadenine Imino Tautomer‒Silver Complexes","Crystal Growth & Design","2012","12","6","3025","","10.1021/cg300231r","","","0.71073","MoKα","","0.0935","0.0589","","","0.1293","0.151","","","","","","1.022","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506206","9.915","0.002","9.942","0.002","16.461","0.003","101.292","0.005","98.813","0.004","93.59","0.003","1565.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Ag2 Cl2 N10 O10 -","- C26 H26 Ag2 Cl2 N10 O10 -","- C52 H52 Ag4 Cl4 N20 O20 -","2","1","","Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures ofN6-Methoxyadenine Imino Tautomer‒Silver Complexes","Crystal Growth & Design","2012","12","6","3025","","10.1021/cg300231r","","","0.71073","MoKα","","0.1096","0.0667","","","0.1594","0.242","","","","","","1.116","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506207","30.163","0.005","30.163","0.005","6.574","0.005","90","","90","","90","","5981","5","100","2","100","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C26 H28 Ag F6 N10 O3 P -","- C26 H28 Ag F6 N10 O3 P -","- C208 H224 Ag8 F48 N80 O24 P8 -","8","1","","Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures ofN6-Methoxyadenine Imino Tautomer‒Silver Complexes","Crystal Growth & Design","2012","12","6","3025","","10.1021/cg300231r","","","0.71073","MoKα","","0.1161","0.0704","","","0.1735","0.2075","","","","","","1.033","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506208","11.14","0.002","17.579","0.004","7.8365","0.0016","90","","106.23","0.03","90","","1473.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Mn3 N2 O14 -","- C28 H20 Mn3 N2 O14 -","- C56 H40 Mn6 N4 O28 -","2","0.5","","Liu, Yanyan; Li, Huijun; Han, Yi; Lv, Xiaofeng; Hou, Hongwei; Fan, Yaoting","Template-Assisted Synthesis of Co,Mn-MOFs with Magnetic Properties Based on Pyridinedicarboxylic Acid","Crystal Growth & Design","2012","12","7","3505","","10.1021/cg300237e","","","0.71073","MoKα","","0.0707","0.0545","","","0.1407","0.1527","","","","","","1.094","","","","has coordinates","288539","2023-12-24","00:56:28",""
"4506209","7.2133","0.0014","10.076","0.002","10.213","0.002","113.83","0.03","99.51","0.03","104.3","0.03","627.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 Co N O6 -","- C13 H11 Co N O6 -","- C26 H22 Co2 N2 O12 -","2","1","","Liu, Yanyan; Li, Huijun; Han, Yi; Lv, Xiaofeng; Hou, Hongwei; Fan, Yaoting","Template-Assisted Synthesis of Co,Mn-MOFs with Magnetic Properties Based on Pyridinedicarboxylic Acid","Crystal Growth & Design","2012","12","7","3505","","10.1021/cg300237e","","","0.71073","MoKα","","0.0898","0.0613","","","0.1916","0.2859","","","","","","1.066","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506210","11.023","0.002","11.495","0.002","13.324","0.003","104.17","0.03","96.75","0.03","108.01","0.03","1522.1","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Mn2 N2 O17 -","- C26 H32 Mn2 N2 O17 -","- C52 H64 Mn4 N4 O34 -","2","1","","Liu, Yanyan; Li, Huijun; Han, Yi; Lv, Xiaofeng; Hou, Hongwei; Fan, Yaoting","Template-Assisted Synthesis of Co,Mn-MOFs with Magnetic Properties Based on Pyridinedicarboxylic Acid","Crystal Growth & Design","2012","12","7","3505","","10.1021/cg300237e","","","0.71073","MoKα","","0.0914","0.0763","","","0.1792","0.1904","","","","","","1.135","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506211","10.096","0.002","10.992","0.002","15.649","0.003","86.29","0.03","73.19","0.03","65.78","0.03","1513.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Co N O6 -","- C15 H15 Co N O6 -","- C60 H60 Co4 N4 O24 -","4","2","","Liu, Yanyan; Li, Huijun; Han, Yi; Lv, Xiaofeng; Hou, Hongwei; Fan, Yaoting","Template-Assisted Synthesis of Co,Mn-MOFs with Magnetic Properties Based on Pyridinedicarboxylic Acid","Crystal Growth & Design","2012","12","7","3505","","10.1021/cg300237e","","","0.71073","MoKα","","0.0797","0.0653","","","0.1529","0.1634","","","","","","1.107","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506212","11.8853","0.0006","15.1757","0.0003","16.3121","0.0004","117.609","0.001","101.656","0.001","98.593","0.001","2451.22","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H104 Eu4 N12 O38 -","- C80 H104 Eu4 N12 O38 -","- C80 H104 Eu4 N12 O38 -","1","0.5","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0307","0.0244","","","0.061","0.0645","","","","","","1.047","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506213","11.8824","0.0008","15.1316","0.0004","16.265","0.0004","117.587","0.001","101.609","0.001","98.559","0.001","2438.29","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H104 N12 O38 Tb4 -","- C80 H104 N12 O38 Tb4 -","- C80 H104 N12 O38 Tb4 -","1","0.5","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0295","0.0241","","","0.0591","0.0617","","","","","","1.047","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506214","11.9347","0.0013","15.2341","0.0007","16.4153","0.0008","117.624","0.001","101.559","0.002","98.735","0.002","2485.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H104 N12 Nd4 O38 -","- C80 H104 N12 Nd4 O38 -","- C80 H104 N12 Nd4 O38 -","1","0.5","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0313","0.0251","","","0.0626","0.0662","","","","","","1.042","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506215","7.8102","0.0002","19.4048","0.0005","17.9157","0.0005","90","","100.225","0.001","90","","2672.1","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Ag Eu N4 O17 -","- C16 H22 Ag Eu N4 O17 -","- C64 H88 Ag4 Eu4 N16 O68 -","4","1","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0294","0.0236","","","0.0558","0.0585","","","","","","1.039","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506216","7.763","0.0003","19.3892","0.0009","17.8634","0.0009","90","","100.466","0.002","90","","2644","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Ag N4 O17 Tb -","- C16 H22 Ag N4 O17 Tb -","- C64 H88 Ag4 N16 O68 Tb4 -","4","1","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0274","0.0226","","","0.0545","0.057","","","","","","1.04","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506217","7.8624","0.0002","19.4751","0.0004","17.7244","0.0004","90","","100.047","0.001","90","","2672.36","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Ag N4 Nd O17 -","- C16 H22 Ag N4 Nd O17 -","- C64 H88 Ag4 N16 Nd4 O68 -","4","1","","Zheng, Zhen Nu; Jang, Young Ok; Lee, Soon W.","4f-Block Metal Complexes as Secondary Building Units in Preparing 4d‒4f Coordination Polymers: Preparation, Structures, and Luminescent Properties of [Ln2L6(H2O)4]·{[Ln2L4(H2O)6](NO3)2} and {[AgLnL2(H2O)3](NO3)2(H2O)4} (L = 3-Pyridinepropinoate, Ln = Eu, Tb, Nd)","Crystal Growth & Design","2012","12","6","3045","","10.1021/cg300256k","","","0.71073","MoKα","","0.0521","0.033","","","0.0716","0.0799","","","","","","1.004","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506218","20.2967","0.001","20.2967","0.001","5.4228","0.0006","90","","90","","90","","2234","0.3","298","2","298","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C38 H44 Cl2 Cu N8 O10 S -","- C36 H28 Cl2 Cu N8 O8 -","- C72 H56 Cl4 Cu2 N16 O16 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.1107","0.0985","","","0.238","0.2455","","","","","","1.279","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506219","20.438","0.003","20.438","0.003","5.4632","0.0014","90","","90","","90","","2282","0.8","298","2","298","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C38 H44 Cl Cu F N8 O10 S -","- C36 H28 Cl Cu F N8 O8 -","- C72 H56 Cl2 Cu2 F2 N16 O16 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.1033","0.0913","","","0.268","0.2781","","","","","","1.124","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506220","20.658","0.003","20.658","0.003","5.6117","0.0009","90","","90","","90","","2394.8","0.6","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C36 H38 Br2 Cu N8 O9 -","- C36 H28 Br2 Cu N8 O8 -","- C72 H56 Br4 Cu2 N16 O16 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.1369","0.1254","","","0.3298","0.3404","","","","","","1.156","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506221","21.6145","0.0004","21.6145","0.0004","5.1678","0.0001","90","","90","","90","","2414.33","0.08","298","2","298","2","","","","","","","","6","P 4 b m","P 4 -2ab","100","","","","- C36 H42 Cl2 Cu N8 O11 -","- C36 H28 Cl2 Cu N8 O7 -","- C72 H56 Cl4 Cu2 N16 O14 -","2","0.25","","Adarsh, N. N.; Grélard, Axelle; Dufourc, Erick J.; Dastidar, Parthasarathi","Sequestering Hydrated Fluoride in a Three-Dimensional Non-Interpenetrated Octahedral Coordination Polymer via a Single-Crystal-to-Single-Crystal Fashion","Crystal Growth & Design","2012","12","7","3369","","10.1021/cg300279z","","","0.71073","MoKα","","0.082","0.0715","","","0.212","0.2263","","","","","","1.161","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506222","4.7938","0.0005","6.2178","0.0005","26.844","0.003","90","","90","","90","","800.14","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4ASA_NH4_I","","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C28 H40 N8 O12 -","4","1","","André, Vânia; Duarte, M. Teresa; Braga, Dario; Grepioni, Fabrizia","Polymorphic Ammonium Salts of the Antibiotic 4-Aminosalicylic Acid","Crystal Growth & Design","2012","12","6","3082","","10.1021/cg300284z","","","0.71073","MoKα","","0.1569","0.0564","","","0.0441","0.0556","","","","","","0.906","","","","has coordinates","288537","2023-12-24","00:31:12",""
"4506223","4.805","0.0004","12.029","0.0007","14.523","0.0009","90","","90","","90","","839.42","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4ASA_NH4_II","","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C28 H40 N8 O12 -","4","1","","André, Vânia; Duarte, M. Teresa; Braga, Dario; Grepioni, Fabrizia","Polymorphic Ammonium Salts of the Antibiotic 4-Aminosalicylic Acid","Crystal Growth & Design","2012","12","6","3082","","10.1021/cg300284z","","","0.71069","MoKα","","0.0543","0.034","","","0.0606","0.0646","","","","","","0.855","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506224","8.736","0.003","3.76","0.001","29.484","0.008","90","","94.972","0.013","90","","964.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4ASA_NH4_III","","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C28 H40 N8 O12 -","4","1","","André, Vânia; Duarte, M. Teresa; Braga, Dario; Grepioni, Fabrizia","Polymorphic Ammonium Salts of the Antibiotic 4-Aminosalicylic Acid","Crystal Growth & Design","2012","12","6","3082","","10.1021/cg300284z","","","0.71073","MoKα","","0.3533","0.1805","","","0.4067","0.4694","","","","","","1.202","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506225","38.591","0.0008","38.591","0.0008","38.591","0.0008","90","","90","","90","","57472","2","263","2","263","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C66 H36 N2 O41 Zn7 -","- C66 H36 N2 O41 Zn7 -","- C1056 H576 N32 O656 Zn112 -","16","0.0833333","","Zhao, Xiaoliang; Wang, Xiaoyang; Wang, Suna; Dou, Jianmin; Cui, Peipei; Chen, Zhen; Sun, Di; Wang, Xingpo; Sun, Daofeng","Novel Metal‒Organic Framework Based on Cubic and Trisoctahedral Supermolecular Building Blocks: Topological Analysis and Photoluminescent Property","Crystal Growth & Design","2012","12","6","2736","","10.1021/cg3002866","","","1.54178","CuKα","","0.1048","0.076","","","0.2391","0.2614","","","","","","1.033","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506226","21.3393","0.0006","7.29604","0.00016","3.77733","0.00008","90","","94.824","0.0012","90","","586.02","0.02","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Williams, P. Andrew; Hughes, Colan E.; Lim, Gin Keat; Kariuki, Benson M.; Harris, Kenneth D. M.","Discovery of a New System Exhibiting Abundant Polymorphism:m-Aminobenzoic Acid","Crystal Growth & Design","2012","12","6","3104","","10.1021/cg3003178","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506227","14.787","0.0007","4.95659","0.00018","9.0814","0.0004","90","","95.2119","0.0021","90","","662.85","0.05","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H7 N O2 -","- C7 H6.9998 N O2 -","- C28 H27.9992 N4 O8 -","4","1","","Williams, P. Andrew; Hughes, Colan E.; Lim, Gin Keat; Kariuki, Benson M.; Harris, Kenneth D. M.","Discovery of a New System Exhibiting Abundant Polymorphism:m-Aminobenzoic Acid","Crystal Growth & Design","2012","12","6","3104","","10.1021/cg3003178","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506228","4.7815","0.0004","7.9307","0.0005","20.853","0.0015","89.025","0.004","83.942","0.004","73.13","0.004","752.43","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 O4 S -","- C18 H12 O4 S -","- C36 H24 O8 S2 -","2","1","","Jali, Bigyan R.; Baruah, Jubaraj B.","Polymorphs and Solvates of 2-(1,4-Dihydro-1,4-dioxonaphthalen-3-ylthio)benzoic Acid","Crystal Growth & Design","2012","12","6","3114","","10.1021/cg300318u","","","0.71073","MoKα","","0.0431","0.033","","","0.0961","0.1166","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506229","4.941","0.002","10.113","0.005","30.621","0.014","90","","93.72","0.03","90","","1526.9","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O4 S -","- C18 H12 O4 S -","- C72 H48 O16 S4 -","4","1","","Jali, Bigyan R.; Baruah, Jubaraj B.","Polymorphs and Solvates of 2-(1,4-Dihydro-1,4-dioxonaphthalen-3-ylthio)benzoic Acid","Crystal Growth & Design","2012","12","6","3114","","10.1021/cg300318u","","","0.71073","MoKα","","0.214","0.1023","","","0.1937","0.2234","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506230","4.9035","0.0003","22.1468","0.0012","27.4868","0.0014","90","","90","","90","","2985","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 O4 S -","- C18 H12 O4 S -","- C144 H96 O32 S8 -","8","2","","Jali, Bigyan R.; Baruah, Jubaraj B.","Polymorphs and Solvates of 2-(1,4-Dihydro-1,4-dioxonaphthalen-3-ylthio)benzoic Acid","Crystal Growth & Design","2012","12","6","3114","","10.1021/cg300318u","","","0.71073","MoKα","","0.0375","0.0313","","","0.0722","0.0751","","","","","","1.051","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506231","7.7394","0.0003","13.4693","0.0006","24.0125","0.0012","103.506","0.004","99.067","0.003","96.329","0.003","2375.18","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H39 N O12 S3 -","- C56 H39 N O12 S3 -","- C112 H78 N2 O24 S6 -","2","1","","Jali, Bigyan R.; Baruah, Jubaraj B.","Polymorphs and Solvates of 2-(1,4-Dihydro-1,4-dioxonaphthalen-3-ylthio)benzoic Acid","Crystal Growth & Design","2012","12","6","3114","","10.1021/cg300318u","","","0.71073","MoKα","","0.0697","0.0452","","","0.1318","0.1517","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506232","5.0244","0.0003","9.5728","0.0006","19.9981","0.0013","82.573","0.005","84.043","0.004","85.488","0.005","946.56","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 N O4 S -","- C23 H16 N O4 S -","- C46 H32 N2 O8 S2 -","2","1","","Jali, Bigyan R.; Baruah, Jubaraj B.","Polymorphs and Solvates of 2-(1,4-Dihydro-1,4-dioxonaphthalen-3-ylthio)benzoic Acid","Crystal Growth & Design","2012","12","6","3114","","10.1021/cg300318u","","","0.71073","MoKα","","0.0493","0.0492","","","0.1345","0.1345","","","","","","0.954","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506233","11.5256","0.0005","18.2862","0.0006","5.5638","0.0002","90","","90","","90","","1172.62","0.08","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Phenazopyridine Monohydrate","","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","1","","Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu","Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability","Crystal Growth & Design","2012","12","6","3144","","10.1021/cg300327x","","","1.54178","CuKα","","0.0528","0.0442","","","0.1074","0.1163","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506234","15.3617","0.0004","7.1053","0.0002","16.8264","0.0005","90","","104.22","0.003","90","","1780.32","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenazopyridine phthalimide","","","- C19 H16 N6 O2 -","- C19 H16 N6 O2 -","- C76 H64 N24 O8 -","4","1","","Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu","Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability","Crystal Growth & Design","2012","12","6","3144","","10.1021/cg300327x","","","1.54178","CuKα","","0.065","0.0541","","","0.1531","0.1743","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506235","6.1302","0.0004","24.1397","0.0012","11.8866","0.0006","90","","103.251","0.005","90","","1712.16","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Phenazopyridine Benzoate Monohydrate","","","- C18 H19 N5 O3 -","- C18 H19 N5 O3 -","- C72 H76 N20 O12 -","4","1","","Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu","Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability","Crystal Growth & Design","2012","12","6","3144","","10.1021/cg300327x","","","1.54178","CuKα","","0.1136","0.0783","","","0.2181","0.2636","","","","","","1.092","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506236","13.2789","0.0002","10.3034","0.0002","26.0066","0.0004","90","","97.728","0.002","90","","3525.85","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","phenazopyridine 4-hydroxyphenylacetic acid","","","- C19 H19 N5 O3 -","- C19 H19 N5 O3 -","- C152 H152 N40 O24 -","8","1","","Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu","Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability","Crystal Growth & Design","2012","12","6","3144","","10.1021/cg300327x","","","1.54178","CuKα","","0.0573","0.0433","","","0.1074","0.1247","","","","","","1.041","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506237","7.4108","0.0005","7.8292","0.0005","17.7574","0.0009","84.729","0.005","85.353","0.005","63.728","0.007","919.02","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Phenazopyridine Saccharate","","","- C18 H18 N6 O3 S -","- C18 H16 N6 O3 S -","- C36 H32 N12 O6 S2 -","2","1","","Tao, Qian; Chen, Jia-Mei; Ma, Lei; Lu, Tong-Bu","Phenazopyridine Cocrystal and Salts That Exhibit Enhanced Solubility and Stability","Crystal Growth & Design","2012","12","6","3144","","10.1021/cg300327x","","","1.54178","CuKα","","0.059","0.0486","","","0.132","0.1402","","","","","","1.052","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506238","10.22","0.002","23.211","0.003","17.646","0.005","90","","90.688","0.005","90","","4185.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Co3 N2 O20 -","- C42 H24 Co3 N2 O20 -","- C168 H96 Co12 N8 O80 -","4","1","","Lama, Prem; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Co(II) Coordination Polymers with Co-Ligand Dependent Dinuclear to Tetranuclear Core: Spin-Canting, Weak Ferromagnetic, and Antiferromagnetic Behavior","Crystal Growth & Design","2012","12","6","3158","","10.1021/cg300330p","","","0.71073","MoKα","","0.0833","0.0564","","","0.1337","0.1522","","","","","","1.053","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506239","10.14","0.002","10.148","0.004","11.369","0.005","92.076","0.005","94.575","0.004","115.448","0.006","1049.8","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Co3 N4 O14 -","- C50 H30 Co3 N4 O14 -","- C50 H30 Co3 N4 O14 -","1","0.5","","Lama, Prem; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Co(II) Coordination Polymers with Co-Ligand Dependent Dinuclear to Tetranuclear Core: Spin-Canting, Weak Ferromagnetic, and Antiferromagnetic Behavior","Crystal Growth & Design","2012","12","6","3158","","10.1021/cg300330p","","","0.71073","MoKα","","0.0429","0.0382","","","0.0974","0.102","","","","","","1.068","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506240","9.604","0.003","10.852","0.004","11.414","0.006","64.684","0.003","85.395","0.005","65.539","0.006","972","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Co2 N2 O8 -","- C20 H12 Co2 N2 O8 -","- C40 H24 Co4 N4 O16 -","2","1","","Lama, Prem; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Co(II) Coordination Polymers with Co-Ligand Dependent Dinuclear to Tetranuclear Core: Spin-Canting, Weak Ferromagnetic, and Antiferromagnetic Behavior","Crystal Growth & Design","2012","12","6","3158","","10.1021/cg300330p","","","0.71073","MoKα","","0.0676","0.0508","","","0.1182","0.1322","","","","","","1.034","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506241","8.422","0.003","8.874","0.005","14.509","0.004","102.467","0.003","90.171","0.006","101.097","0.005","1037.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Co N2 O7 -","- C23 H18 Co N2 O7 -","- C46 H36 Co2 N4 O14 -","2","1","","Lama, Prem; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Co(II) Coordination Polymers with Co-Ligand Dependent Dinuclear to Tetranuclear Core: Spin-Canting, Weak Ferromagnetic, and Antiferromagnetic Behavior","Crystal Growth & Design","2012","12","6","3158","","10.1021/cg300330p","","","0.71073","MoKα","","0.0601","0.0453","","","0.1119","0.1232","","","","","","1.026","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506242","9.5761","0.0004","11.3729","0.0004","12.5759","0.0005","66.664","0.002","79.047","0.002","66.456","0.002","1152.07","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H19 N3 O5 -","- C29 H19 N3 O5 -","- C58 H38 N6 O10 -","2","1","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0542","0.0435","","","0.1207","0.1293","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506243","12.8111","0.0005","28.4327","0.0011","7.3022","0.0003","90","","95.295","0.002","90","","2648.51","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 N3 O5 -","- C33 H23 N3 O5 -","- C132 H92 N12 O20 -","4","1","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0591","0.0399","","","0.09","0.0988","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506244","9.3707","0.0018","19.583","0.004","18.346","0.004","90","","99.264","0.01","90","","3322.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C83 H58 N7 O10 -","- C83 H58 N7 O10 -","- C166 H116 N14 O20 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0559","0.0428","","","0.112","0.122","","","","","","1.034","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506245","9.2947","0.0007","15.4314","0.0012","15.7079","0.0011","90","","95.373","0.004","90","","2243.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 N2 O5 -","- C28 H18 N2 O5 -","- C112 H72 N8 O20 -","4","1","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0698","0.047","","","0.1171","0.1323","","","","","","1.017","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506246","9.5272","0.0006","13.238","0.0009","13.3281","0.0009","95.328","0.003","97.809","0.004","93.357","0.003","1653.85","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H56 N8 O10 -","- C82 H56 N8 O10 -","- C82 H56 N8 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0584","0.0421","","","0.1108","0.124","","","","","","1.031","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506247","7.978","0.0007","10.9945","0.0009","22.1724","0.0018","76.991","0.005","84.185","0.006","86.845","0.006","1884.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C91 H62 N9 O10 -","- C91 H62 N9 O10 -","- C91 H62 N9 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.169","0.0783","","","0.1985","0.2437","","","","","","1.164","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506248","8.0305","0.0003","8.0978","0.0004","14.9519","0.0009","93.677","0.003","91.105","0.003","117.764","0.002","857.27","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O5 -","- C20 H14 N2 O5 -","- C40 H28 N4 O10 -","2","1","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0408","0.0366","","","0.1","0.1043","","","","","","1.034","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506249","9.3051","0.0003","9.335","0.0003","13.753","0.0004","98.58","0.002","101.655","0.002","96.513","0.002","1144.12","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H35 N5 O10 -","- C53 H35 N5 O10 -","- C53 H35 N5 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0567","0.0474","","","0.1315","0.1408","","","","","","1.045","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506250","8.4869","0.0007","8.8222","0.0008","14.4413","0.0013","105.395","0.006","102.23","0.006","97.442","0.006","998.81","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H33 N5 O14 -","- C43 H33 N5 O14 -","- C43 H33 N5 O14 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0812","0.0564","","","0.1488","0.1662","","","","","","1.033","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506251","8.1871","0.0002","9.4937","0.0002","14.0258","0.0003","72.964","0.001","80.858","0.001","73.471","0.001","995.86","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N2 O5.4 -","- C24 H16 N2 O5.4 -","- C48 H32 N4 O10.8 -","2","1","","Singh, Devendra; Baruah, Jubaraj B.","Solid State Assemblies of Cyclic Imides Tethered Hydroxy Benzoic Acids with Pyridine and Quinoline: Toward the Formation of Channels and Cavities","Crystal Growth & Design","2012","12","6","3169","","10.1021/cg300342a","","","0.71073","MoKα","","0.0432","0.0362","","","0.0952","0.1028","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506252","11.0696","0.0013","9.315","0.0011","15.1284","0.0018","90","","93.256","0.001","90","","1557.4","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Ce N O14 P2 -","- C6 H18 Ce N O14 P2 -","- C24 H72 Ce4 N4 O56 P8 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0451","0.0344","","","0.0802","0.0864","","","","","","1.05","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506253","11.0215","0.001","9.2494","0.0009","15.189","0.0014","90","","93.117","0.001","90","","1546.1","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N O14 P2 Pr -","- C6 H18 N O14 P2 Pr -","- C24 H72 N4 O56 P8 Pr4 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0375","0.0307","","","0.0783","0.0836","","","","","","1.06","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506254","10.9897","0.0009","9.1988","0.0008","15.2172","0.0012","90","","93.037","0.001","90","","1536.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N Nd O14 P2 -","- C6 H18 N Nd O14 P2 -","- C24 H72 N4 Nd4 O56 P8 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0402","0.0353","","","0.0859","0.0893","","","","","","1.074","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506255","10.9144","0.0006","9.1007","0.0005","15.2336","0.0009","90","","92.963","0.001","90","","1511.11","0.15","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Eu N O13 P2 -","- C6 H16 Eu N O13 P2 -","- C24 H64 Eu4 N4 O52 P8 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0317","0.0304","","","0.0766","0.0774","","","","","","1.08","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506256","10.8542","0.0018","9.0738","0.0015","15.25","0.003","90","","92.902","0.002","90","","1500","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N O13 P2 Tb -","- C6 H16 N O13 P2 Tb -","- C24 H64 N4 O52 P8 Tb4 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0566","0.0354","","","0.0705","0.0775","","","","","","1.032","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506257","10.9419","0.0004","9.127","0.0004","15.2352","0.0006","90","","93.017","0.001","90","","1519.38","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 N O13 P2 Sm -","- C6 H16 N O13 P2 Sm -","- C24 H64 N4 O52 P8 Sm4 -","4","1","","Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei","Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties","Crystal Growth & Design","2012","12","6","3191","","10.1021/cg300351t","","","0.71073","MoKα","","0.0318","0.0295","","","0.0761","0.0779","","","","","","1.032","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506258","12.033","0.004","14.992","0.004","12.409","0.004","90","","99.436","0.009","90","","2208.3","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H60 Cu2 N10 Ni3 O6 S4 -","- C28 H60 Cu2 N10 Ni3 O6 S4 -","- C56 H120 Cu4 N20 Ni6 O12 S8 -","2","0.5","","Buvaylo, Elena A.; Nesterova, Oksana V.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.; Boča, Roman; Nesterov, Dmytro S.","Discussion of Planarity of Molecular Structures Using Novel Pentanuclear Cu/Ni Complexes as an Example","Crystal Growth & Design","2012","12","6","3200","","10.1021/cg300353b","","","0.71073","MoKα","","0.1889","0.058","","","0.1149","0.1574","","","","","","0.888","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506259","10.8948","0.0004","16.0279","0.0006","21.7661","0.0005","90","","90","","90","","3800.8","0.2","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H60 Cl4 Cu2 N6 Ni3 O6 -","- C24 H60 Cl4 Cu2 N6 Ni3 O6 -","- C96 H240 Cl16 Cu8 N24 Ni12 O24 -","4","0.5","","Buvaylo, Elena A.; Nesterova, Oksana V.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.; Boča, Roman; Nesterov, Dmytro S.","Discussion of Planarity of Molecular Structures Using Novel Pentanuclear Cu/Ni Complexes as an Example","Crystal Growth & Design","2012","12","6","3200","","10.1021/cg300353b","","","0.71073","MoKα","","0.0743","0.0285","","","0.0672","0.0954","","","","","","0.564","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506260","15.2594","0.0005","31.5686","0.0007","16.877","0.0005","90","","107.906","0.003","90","","7736.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Cl Cu2 La2 N4 O18 -","- C33 H23 Cl Cu2 La2 N4 O17 -","- C264 H184 Cl8 Cu16 La16 N32 O136 -","8","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0559","0.0366","","","0.0997","0.1215","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506261","15.24","0.0007","31.4564","0.0011","16.8503","0.0008","90","","107.784","0.005","90","","7692","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Br Cu2 La2 N4 O18 -","- C33 H23 Br Cu2 La2 N4 O17 -","- C264 H184 Br8 Cu16 La16 N32 O136 -","8","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0768","0.0379","","","0.0803","0.1141","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506262","15.2485","0.0005","31.4732","0.001","16.8546","0.0005","90","","107.647","0.004","90","","7708.2","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Cu2 I La2 N4 O18 -","- C33 H23 Cu2 I La2 N4 O17 -","- C264 H184 Cu16 I8 La16 N32 O136 -","8","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0461","0.0334","","","0.094","0.1084","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506263","15.1392","0.0003","31.441","0.0006","16.7589","0.0004","90","","108.327","0.002","90","","7572.5","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Cl Cu2 N4 Nd2 O18 -","- C33 H23 Cl Cu2 N4 Nd2 O17 -","- C264 H184 Cl8 Cu16 N32 Nd16 O136 -","8","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0408","0.031","","","0.0948","0.1035","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506264","15.149","0.004","31.394","0.008","16.763","0.005","90","","108.193","0.004","90","","7574","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Br Cu2 N4 Nd2 O18 -","- C33 H23 Br Cu2 N4 Nd2 O17 -","- C264 H184 Br8 Cu16 N32 Nd16 O136 -","8","1","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0513","0.0453","","","0.1139","0.1214","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506265","11.4105","0.0007","15.4575","0.0012","18.0044","0.0009","69.975","0.006","80.507","0.005","68.549","0.006","2774.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H64 Cu9 I7 N12 O42 Pr6 -","- C90 H64 Cu9 I7 N12 O42 Pr6 -","- C90 H64 Cu9 I7 N12 O42 Pr6 -","1","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0471","0.0324","","","0.0796","0.1008","","","","","","1.017","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506266","11.3895","0.0003","15.3887","0.0006","17.9731","0.0006","70.025","0.003","80.612","0.002","68.612","0.003","2754.06","0.18","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H64 Cu9 I7 N12 Nd6 O42 -","- C90 H64 Cu9 I7 N12 Nd6 O42 -","- C90 H64 Cu9 I7 N12 Nd6 O42 -","1","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0516","0.035","","","0.0814","0.1","","","","","","1.016","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506267","8.0191","0.0002","17.305","0.0005","23.3034","0.0005","90","","90","","90","","3233.83","0.14","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Cu La2 N2 O20 -","- C30 H22 Cu La2 N2 O20 -","- C120 H88 Cu4 La8 N8 O80 -","4","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0305","0.0227","","","0.0514","0.0569","","","","","","1.01","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506268","7.9905","0.0003","17.245","0.0005","23.2987","0.0007","90","","90","","90","","3210.47","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Ce2 Cu N2 O20 -","- C30 H22 Ce2 Cu N2 O20 -","- C120 H88 Ce8 Cu4 N8 O80 -","4","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0336","0.0267","","","0.0695","0.0731","","","","","","1.021","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506269","7.9529","0.0002","17.2466","0.0007","23.2702","0.0007","90","","90","","90","","3191.75","0.18","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H22 Cu N2 O20 Pr2 -","- C30 H22 Cu N2 O20 Pr2 -","- C120 H88 Cu4 N8 O80 Pr8 -","4","0.5","","Li, Xinfa; Huang, Yuanbiao; Cao, Rong","Three-Dimensional Pillared-Layer 3d-4f Heterometallic Coordination Polymers With or Without Halides","Crystal Growth & Design","2012","12","7","3549","","10.1021/cg300362d","","","0.71073","MoKα","","0.0369","0.0261","","","0.0644","0.0856","","","","","","1.018","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506270","7.0982","0.0005","21.64","0.0015","6.5856","0.0005","90","","92.217","0.007","90","","1010.82","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Ca O7 -","- C8 H10 Ca O7 -","- C32 H40 Ca4 O28 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Zhang, Ming-Jian; Zhang, Jian; Yao, Yuan-Gen","A Series of Ca(II) or Ba(II) Inorganic‒Organic Hybrid Frameworks Based on Aromatic Polycarboxylate Ligands with the Inorganic M‒O‒M (M = Ca, Ba) Connectivity from 1D to 3D","Crystal Growth & Design","2012","12","6","3231","","10.1021/cg3003756","","","0.71073","MoKα","","0.0548","0.0485","","","0.1304","0.1389","","","","","","0.839","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506271","11.2023","0.0007","6.6774","0.0004","11.984","0.0008","90","","98.91","0.007","90","","885.61","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ca O5 -","- C8 H6 Ca O5 -","- C32 H24 Ca4 O20 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Zhang, Ming-Jian; Zhang, Jian; Yao, Yuan-Gen","A Series of Ca(II) or Ba(II) Inorganic‒Organic Hybrid Frameworks Based on Aromatic Polycarboxylate Ligands with the Inorganic M‒O‒M (M = Ca, Ba) Connectivity from 1D to 3D","Crystal Growth & Design","2012","12","6","3231","","10.1021/cg3003756","","","0.71073","MoKα","","0.0367","0.0293","","","0.0646","0.0702","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506272","7.3226","0.0003","10.6546","0.0007","13.0172","0.001","90.89","0.006","90.587","0.005","103.798","0.005","986.07","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 Ba5 N2 O24 -","- C32 H20 Ba5 N2 O24 -","- C32 H20 Ba5 N2 O24 -","1","0.5","","Zhang, Xin; Huang, Yuan-Yuan; Zhang, Ming-Jian; Zhang, Jian; Yao, Yuan-Gen","A Series of Ca(II) or Ba(II) Inorganic‒Organic Hybrid Frameworks Based on Aromatic Polycarboxylate Ligands with the Inorganic M‒O‒M (M = Ca, Ba) Connectivity from 1D to 3D","Crystal Growth & Design","2012","12","6","3231","","10.1021/cg3003756","","","0.71073","MoKα","","0.0463","0.0393","","","0.0954","0.1095","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506273","13.2308","0.0005","10.2126","0.0006","17.594","0.0006","90","","90","","90","","2377.32","0.18","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H14 Ba3 O16 -","- C18 H14 Ba3 O16 -","- C72 H56 Ba12 O64 -","4","1","","Zhang, Xin; Huang, Yuan-Yuan; Zhang, Ming-Jian; Zhang, Jian; Yao, Yuan-Gen","A Series of Ca(II) or Ba(II) Inorganic‒Organic Hybrid Frameworks Based on Aromatic Polycarboxylate Ligands with the Inorganic M‒O‒M (M = Ca, Ba) Connectivity from 1D to 3D","Crystal Growth & Design","2012","12","6","3231","","10.1021/cg3003756","","","0.71073","MoKα","","0.0616","0.0558","","","0.152","0.1592","","","","","","1.042","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506274","25.5273","0.0015","15.5117","0.0014","17.1005","0.0013","90","","98.298","0.005","90","","6700.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SUMOF-6-Sm(as)","","","- C36 H18 N6 O15 Sm2 -","- C36 H18 N6 O15 Sm2 -","- C144 H72 N24 O60 Sm8 -","4","1","","Gustafsson, Mikaela; Su, Jie; Yue, Huijuan; Yao, Qingxia; Zou, Xiaodong","A Family of Flexible Lanthanide Bipyridinedicarboxylate Metal‒Organic Frameworks Showing Reversible Single-Crystal to Single-Crystal Transformations","Crystal Growth & Design","2012","12","6","3243","","10.1021/cg300379u","","","0.71073","MoKα","","0.1812","0.0726","","","0.1674","0.1857","","","","","","0.961","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506275","27.0951","0.0008","11.351","0.0008","17.0184","0.0006","90","","98.218","0.003","90","","5180.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SUMOF-6-Sm(dry)","","","- C36 H18 N6 O15 Sm2 -","- C36 H18 N6 O15 Sm2 -","- C144 H72 N24 O60 Sm8 -","4","1","","Gustafsson, Mikaela; Su, Jie; Yue, Huijuan; Yao, Qingxia; Zou, Xiaodong","A Family of Flexible Lanthanide Bipyridinedicarboxylate Metal‒Organic Frameworks Showing Reversible Single-Crystal to Single-Crystal Transformations","Crystal Growth & Design","2012","12","6","3243","","10.1021/cg300379u","","","0.71073","MoKα","","0.1513","0.0676","","","0.1466","0.162","","","","","","0.976","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506276","25.6487","0.0014","15.1875","0.0019","17.0378","0.0012","90","","97.91","0.006","90","","6573.8","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SUMOF-6-Gd(as)","","","- C36 H18 Gd2 N6 O15 -","- C36 H18 Gd2 N6 O15 -","- C144 H72 Gd8 N24 O60 -","4","1","","Gustafsson, Mikaela; Su, Jie; Yue, Huijuan; Yao, Qingxia; Zou, Xiaodong","A Family of Flexible Lanthanide Bipyridinedicarboxylate Metal‒Organic Frameworks Showing Reversible Single-Crystal to Single-Crystal Transformations","Crystal Growth & Design","2012","12","6","3243","","10.1021/cg300379u","","","0.71073","MoKα","","0.1561","0.0697","","","0.1487","0.1698","","","","","","0.972","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506277","27.0154","0.0019","11.5213","0.0018","16.995","0.003","90","","98.137","0.01","90","","5236.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SUMOF-6-Gd(dry)","","","- C36 H18 Gd2 N6 O15 -","- C36 H18 Gd2 N6 O15 -","- C144 H72 Gd8 N24 O60 -","4","1","","Gustafsson, Mikaela; Su, Jie; Yue, Huijuan; Yao, Qingxia; Zou, Xiaodong","A Family of Flexible Lanthanide Bipyridinedicarboxylate Metal‒Organic Frameworks Showing Reversible Single-Crystal to Single-Crystal Transformations","Crystal Growth & Design","2012","12","6","3243","","10.1021/cg300379u","","","0.71073","MoKα","","0.18","0.0846","","","0.19","0.219","","","","","","1.006","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506278","7.4786","0.0015","9.832","0.002","15.487","0.005","90","","108.31","0.03","90","","1081.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O10 Pr -","- C7 H8 O10 Pr -","- C28 H32 O40 Pr4 -","4","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0355","0.0274","","","0.0538","0.0562","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506279","7.4128","0.0015","9.771","0.002","15.395","0.005","90","","108.33","0.03","90","","1058.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Nd O10 -","- C7 H8 Nd O10 -","- C28 H32 Nd4 O40 -","4","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0378","0.0288","","","0.0566","0.0595","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506280","7.3519","0.0015","9.7295","0.0019","15.355","0.005","90","","108.54","0.03","90","","1041.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Eu O10 -","- C7 H8 Eu O10 -","- C28 H32 Eu4 O40 -","4","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0263","0.024","","","0.0589","0.0602","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506281","7.3173","0.0015","9.7022","0.0019","15.306","0.005","90","","108.61","0.03","90","","1029.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Gd O10 -","- C7 H8 Gd O10 -","- C28 H32 Gd4 O40 -","4","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0318","0.0257","","","0.049","0.0509","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506282","7.3108","0.0015","9.722","0.0019","15.298","0.005","90","","108.75","0.03","90","","1029.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O10 Tb -","- C7 H8 O10 Tb -","- C28 H32 O40 Tb4 -","4","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0219","0.02","","","0.0513","0.0523","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506283","16.84","0.003","10.608","0.002","13.713","0.003","90","","117.11","0.03","90","","2180.5","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 O10 Sm -","- C7 H8 O10 Sm -","- C56 H64 O80 Sm8 -","8","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.042","0.0317","","","0.0541","0.057","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506284","16.775","0.003","10.569","0.002","13.697","0.003","90","","117.53","0.03","90","","2153.4","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 O10 Tb -","- C7 H8 O10 Tb -","- C56 H64 O80 Tb8 -","8","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0338","0.026","","","0.0507","0.0531","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506285","16.727","0.003","10.537","0.002","13.656","0.003","90","","117.62","0.03","90","","2132.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Dy O10 -","- C7 H8 Dy O10 -","- C56 H64 Dy8 O80 -","8","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0317","0.0262","","","0.0594","0.0615","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506286","16.677","0.003","10.504","0.002","13.64","0.003","90","","117.78","0.03","90","","2114","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Ho O10 -","- C7 H8 Ho O10 -","- C56 H64 Ho8 O80 -","8","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0281","0.0251","","","0.0616","0.0631","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506287","16.619","0.003","10.46","0.002","13.657","0.003","90","","118.14","0.03","90","","2093.4","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 O10 Yb -","- C7 H8 O10 Yb -","- C56 H64 O80 Yb8 -","8","1","","Wang, Hao; Liu, Sui-Jun; Tian, Dan; Jia, Ji-Min; Hu, Tong-Liang","Temperature-Dependent Structures of Lanthanide Metal‒Organic Frameworks Based on Furan-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2012","12","6","3263","","10.1021/cg3004036","","","0.71073","MoKα","","0.0289","0.0242","","","0.052","0.0537","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506288","7.1034","0.0009","16.639","0.002","7.4341","0.001","90","","104.069","0.002","90","","852.31","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Ba N2 O6 -","- C6 H5 Ba N2 O6 -","- C24 H20 Ba4 N8 O24 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of Ba(II) Coordination Polymers Based on Imidazole-Based Dicarboxylate Ligands: Structural Diversity Tuned by Alcohol Solvents","Crystal Growth & Design","2012","12","7","3575","","10.1021/cg3004068","","","0.71073","MoKα","","0.0257","0.0227","","","0.056","0.0578","","","","","","1.041","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506289","8.0059","0.001","17.198","0.002","14.0101","0.0014","90","","123.152","0.005","90","","1615","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ba N4 O11 -","- C12 H12 Ba N4 O11 -","- C48 H48 Ba4 N16 O44 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of Ba(II) Coordination Polymers Based on Imidazole-Based Dicarboxylate Ligands: Structural Diversity Tuned by Alcohol Solvents","Crystal Growth & Design","2012","12","7","3575","","10.1021/cg3004068","","","0.71073","MoKα","","0.0563","0.0462","","","0.1295","0.1385","","","","","","1.068","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506290","7.0034","0.0005","16.9381","0.0013","7.0666","0.0005","90","","98.811","0.001","90","","828.38","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ba2 N4 O11 -","- C12 H8 Ba2 N4 O11 -","- C24 H16 Ba4 N8 O22 -","2","0.5","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of Ba(II) Coordination Polymers Based on Imidazole-Based Dicarboxylate Ligands: Structural Diversity Tuned by Alcohol Solvents","Crystal Growth & Design","2012","12","7","3575","","10.1021/cg3004068","","","0.71073","MoKα","","0.0315","0.0292","","","0.1055","0.1101","","","","","","0.935","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506291","15.42","0.0002","10.722","0.0005","9.137","0.0002","90","","90","","90","","1510.65","0.08","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H10 Ba N4 O10 -","- C12 H10 Ba N4 O10 -","- C48 H40 Ba4 N16 O40 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Construction of Ba(II) Coordination Polymers Based on Imidazole-Based Dicarboxylate Ligands: Structural Diversity Tuned by Alcohol Solvents","Crystal Growth & Design","2012","12","7","3575","","10.1021/cg3004068","","","0.71073","MoKα","","0.0743","0.0547","","","0.1308","0.1465","","","","","","1.006","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506292","12.007","0.005","12.451","0.005","12.779","0.005","65.629","0.005","66.635","0.005","65.246","0.005","1521.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H49 N O5 Sn2 -","- C27 H49 N O5 Sn2 -","- C54 H98 N2 O10 Sn4 -","2","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71069","MoKα","","0.055","0.0415","","","0.0962","0.1049","","","","","","1.049","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506293","9.6998","0.001","10.5225","0.0011","16.8608","0.0017","90","","100.762","0.002","90","","1690.6","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H57 N O4 Sn2 -","- C31 H57 N O4 Sn2 -","- C62 H114 N2 O8 Sn4 -","2","0.5","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71073","MoKα","","0.0757","0.0502","","","0.1436","0.2448","","","","","","1.197","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506294","9.795","0.005","18.067","0.005","39.224","0.005","90","0.005","90.154","0.005","90","0.005","6941","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H114 N2 O8 Sn4 -","- C62 H114 N2 O8 Sn4 -","- C248 H456 N8 O32 Sn16 -","4","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71069","MoKα","","0.0667","0.0473","","","0.0992","0.1087","","","","","","1.007","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506295","15.428","0.005","11.777","0.005","23.719","0.005","90","0.005","99.161","0.005","90","0.005","4255","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H65 N3 O4 Sn2 -","- C41 H65 N3 O4 Sn2 -","- C164 H260 N12 O16 Sn8 -","4","0.5","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71069","MoKα","","0.0382","0.0333","","","0.0829","0.0872","","","","","","1.063","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506296","15.427","0.005","11.769","0.005","23.734","0.005","90","0.005","99.322","0.005","90","0.005","4252","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H65 N3 O4 Sn2 -","- C41 H65 N3 O4 Sn2 -","- C164 H260 N12 O16 Sn8 -","4","0.5","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71069","MoKα","","0.0444","0.0353","","","0.0781","0.0832","","","","","","1.053","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506297","9.688","0.005","9.766","0.005","11.939","0.005","75.798","0.005","87.925","0.005","75.144","0.005","1058","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H65 N3 O4 Sn2 -","- C41 H65 N3 O4 Sn2 -","- C41 H65 N3 O4 Sn2 -","1","0.5","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Butcher, Ray J.","Synthesis of One- and Two-Dimensional Coordination Polymers Containing Organotin Macrocycles. Reactions of (n-Bu3Sn)2O with Pyridine Dicarboxylic Acids. Structure-Directing Role of the Ancillary 4,4′-Bipyridine Ligand","Crystal Growth & Design","2012","12","6","3285","","10.1021/cg3004189","","","0.71069","MoKα","","0.0429","0.0367","","","0.1039","0.1322","","","","","","1.192","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506298","11.4153","0.0008","18.4825","0.0018","7.7116","0.0006","90","","90","","90","","1627","0.2","95","2","95","2","","","","","","","","4","P n m a","-P 2ac 2n","62","HMX - 1,2-phenylenediamine","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 1,2-phenylenediamine","","- C10 H16 N10 O8 -","- C10 H16 N10 O8 -","- C40 H64 N40 O32 -","4","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.1204","0.0636","","","0.15","0.233","","","","","","1.13","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506299","11.4367","0.001","18.7309","0.0015","7.8305","0.0007","90","","90","","90","","1677.4","0.2","95","2","95","2","","","","","","","","4","P n m a","-P 2ac 2n","62","HMX - 3,4-diaminotoluene","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 3,4-diaminotoluene","","- C11 H18 N10 O8 -","- C11 H18 N10 O8 -","- C44 H72 N40 O32 -","4","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.0969","0.0494","","","0.1235","0.1873","","","","","","1.164","","","","has coordinates,has disorder","179598","2020-10-21","18:00:00",""
"4506300","7.7156","0.0005","11.2114","0.0006","18.5392","0.0012","90","","90","","90","","1603.69","0.17","95","2","95","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","HMX - 4-fluoroaniline","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 4-fluoroaniline","","- C10 H14 F N9 O8 -","- C10 H14 F N9 O8 -","- C40 H56 F4 N36 O32 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.0248","0.0237","","","0.0584","0.0588","","","","","","1.077","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506301","11.1402","0.0005","19.1745","0.0014","7.6902","0.0003","90","","90","","90","","1642.69","0.15","95","2","95","2","","","","","","","","5","P n m a","-P 2ac 2n","62","HMX - thieno[3,2-b]thiophene","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - thieno[3,2-b]thiophene","","- C10 H12 N8 O8 S2 -","- C10 H12 N8 O8 S2 -","- C40 H48 N32 O32 S8 -","4","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.0376","0.0356","","","0.0977","0.1012","","","","","","1.096","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506302","15.8469","0.0006","15.8469","0.0006","10.5371","0.0007","90","","90","","120","","2291.6","0.2","85","","85","","","","","","","","","4","P 63/m","-P 6c","176","HMX - 2-pyrrolidone","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 2-pyrrolidone","","- C8 H15 N9 O9 -","- C8 H15 N9 O9 -","- C48 H90 N54 O54 -","6","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","","0.0627","","","","0.1744","","","","","","1.007","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506303","13.8386","0.0009","6.4188","0.0005","20.7476","0.0016","90","","104.246","0.007","90","","1786.3","0.2","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HMX - 1,4-piperazinedicarboxaldehyde","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 1,4-piperazinedicarboxaldehyde","","- C10 H18 N10 O10 -","- C10 H18 N10 O10 -","- C40 H72 N40 O40 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.1536","0.0937","","","0.2484","0.3361","","","","","","1.199","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506304","6.0611","0.0016","7.818","0.002","12.154","0.003","71.604","0.013","80.885","0.014","86.334","0.014","539.5","0.2","95","2","95","2","","","","","","","","4","P -1","-P 1","2","HMX - 2-picoline-N-oxide","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 2-picoline-N-oxide","","- C16 H22 N10 O10 -","- C16 H22 N10 O10 -","- C16 H22 N10 O10 -","1","0.5","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.2651","0.1541","","","0.3597","0.449","","","","","","1.083","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506305","5.8035","0.0006","13.601","0.0013","13.8761","0.0014","109.513","0.001","99.189","0.001","98.403","0.001","995.44","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 Co O20 -","- C42 H34 Co O20 -","- C42 H34 Co O20 -","1","0.5","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.0399","0.0365","","","0.1122","0.1157","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506306","7.429","0.002","12.191","0.004","16.531","0.005","71.659","0.006","89.296","0.006","78.19","0.006","1388.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H22 Co N2 O9 -","- C31 H22 Co N2 O9 -","- C62 H44 Co2 N4 O18 -","2","1","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.0641","0.0459","","","0.1156","0.1219","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506307","17.403","0.003","10.834","0.002","17.981","0.003","90","","116.758","0.004","90","","3027.2","0.9","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Co3 N2 O22 -","- C54 H42 Co3 N2 O22 -","- C108 H84 Co6 N4 O44 -","2","0.5","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.0795","0.0708","","","0.1919","0.1963","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506308","17.283","0.003","10.835","0.002","18.443","0.002","90","","119.25","0.011","90","","3013.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H24 Co3 N4 O22 -","- C52 H40 Co3 N4 O22 -","- C104 H80 Co6 N8 O44 -","2","0.5","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.0592","0.0476","","","0.1256","0.1295","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506309","17.487","0.0019","10.8823","0.0011","18.0449","0.0019","90","","116.17","0.002","90","","3081.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Co3 N2 O22 -","- C54 H38 Co3 N2 O22 -","- C108 H76 Co6 N4 O44 -","2","0.5","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.06","0.0488","","","0.1257","0.129","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506310","16.833","0.002","17.632","0.002","21.364","0.003","90","","110.832","0.002","90","","5926.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H44 Co2 N2 O19 -","- C55 H44 Co2 N2 O19 -","- C220 H176 Co8 N8 O76 -","4","0.5","","Cui, Jiehu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Six New Co-Coordination Polymers Based on a Tripodal Carboxylate Ligand","Crystal Growth & Design","2012","12","7","3610","","10.1021/cg3004323","","","0.71073","MoKα","","0.0672","0.0451","","","0.0956","0.1039","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506311","7.914","","10.467","","14.904","","70.07","","78.65","","71.63","","1095.96","","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cu1.5 N O9 -","- C21 H26 Cu1.5 N O9 -","- C42 H52 Cu3 N2 O18 -","2","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71073","MoKα","","0.0298","0.0264","","","0.0719","0.0738","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506312","8.058","","10.774","","15.005","","71.74","","79.79","","70.47","","1162.08","","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cu1.5 N O9 -","- C22 H28 Cu1.5 N O9 -","- C44 H56 Cu3 N2 O18 -","2","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71073","MoKα","","0.1216","0.0794","","","0.1907","0.2174","","","","","","0.928","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506313","31.924","0.005","10.29","0.005","16.544","0.005","90","0.005","112.007","0.005","90","0.005","5039","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H26 Cu1.5 N O8.5 -","- C21.5 H26 Cu1.5 N O8.5 -","- C172 H208 Cu12 N8 O68 -","8","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71069","MoKα","","0.1002","0.0548","","","0.1613","0.1852","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506314","8.291","","13.461","","18.549","","90","","98.22","","90","","2048.9","","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu1.5 N O8 -","- C20 H22 Cu1.5 N O8 -","- C80 H88 Cu6 N4 O32 -","4","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71073","MoKα","","0.0523","0.0352","","","0.0866","0.0942","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506315","12.317","0.005","8.541","0.005","20.421","0.005","90","0.005","106.192","0.005","90","0.005","2063.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cu1.5 N O9 -","- C20 H24 Cu1.5 N O9 -","- C80 H96 Cu6 N4 O36 -","4","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71069","MoKα","","0.1027","0.0599","","","0.1571","0.1823","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506316","7.849","0.005","14.739","0.005","18.495","0.005","90","0.005","101.446","0.005","90","0.005","2097.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cu1.5 N O8 -","- C20 H24 Cu1.5 N O8 -","- C80 H96 Cu6 N4 O32 -","4","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71069","MoKα","","0.0595","0.0397","","","0.1019","0.1107","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506317","14.253","","14.279","","26.903","","90","","97.9","","90","","5423.3","","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cu2 N O7 -","- C19 H19 Cu2 N O7 -","- C152 H152 Cu16 N8 O56 -","8","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71073","MoKα","","0.09","0.0659","","","0.1828","0.2032","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506318","14.355","0.005","11.343","0.005","31.602","0.005","90","0.005","102.611","0.005","90","0.005","5022","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 Cu1.5 N O8.5 -","- C22 H29 Cu1.5 N O8.5 -","- C176 H232 Cu12 N8 O68 -","8","1","","Xu, Guohai; He, Xiyun; Lv, Jianyi; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Solvent-Dependent Assemblies of Trinuclear Copper Cluster into Variable Frameworks Based on Mixed Ligands of Polyalcohol Amines and Organic Carboxylates","Crystal Growth & Design","2012","12","7","3619","","10.1021/cg300434k","","","0.71069","MoKα","","0.0696","0.0458","","","0.1155","0.1277","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506319","10.764","0.004","26.969","0.009","9.724","0.003","90","","90","","90","","2822.8","1.7","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 Cu2 N6 O8 -","- C18 H22 Cu2 N6 O8 -","- C72 H88 Cu8 N24 O32 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal–Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0809","0.0622","","","0.1842","0.2047","","","","","","1.01","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4506320","11.821","0.005","26.001","0.011","9.892","0.004","90","","90","","90","","3040","2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H30 Cu2 N6 O6 -","- C22 H30 Cu2 N6 O6 -","- C88 H120 Cu8 N24 O24 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0908","0.0634","","","0.1489","0.168","","","","","","1.067","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506321","11.6874","0.0005","26.5378","0.0014","9.7479","0.0004","90","","90","","90","","3023.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H30 Cu2 N6 O6 -","- C30 H30 Cu2 N6 O6 -","- C120 H120 Cu8 N24 O24 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0732","0.0682","","","0.2058","0.2147","","","","","","0.98","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506322","12.7711","0.0014","14.229","0.002","16.003","0.002","106.64","0.002","103.935","0.003","106.606","0.003","2499.8","0.6","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C72 H102 Cu6 N18 O20 -","- C72 H47 Cu6 N18 O23.4 -","- C72 H47 Cu6 N18 O23.4 -","1","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.1154","0.0833","","","0.2292","0.2676","","","","","","0.98","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506323","10.7957","0.0006","26.9671","0.0017","9.6972","0.0004","90","","90","","90","","2823.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 Cu2 N6 O8 -","- C18 H22 Cu2 N6 O8 -","- C72 H88 Cu8 N24 O32 -","4","1","","Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong","A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption","Crystal Growth & Design","2012","12","6","3304","","10.1021/cg300440t","","","0.71073","MoKα","","0.0475","0.0422","","","0.1334","0.1407","","","","","","1.044","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506324","8.0615","0.0016","25.852","0.005","13.293","0.003","90","","90","","90","","2770.3","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H26 Cd N2 O13 -","- C26 H26 Cd N2 O13 -","- C104 H104 Cd4 N8 O52 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0408","0.0334","","","0.0723","0.0756","","","","","","1.009","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506325","12.103","0.008","10.228","0.007","11.123","0.007","90","","114.342","0.005","90","","1254.5","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cd N O5 -","- C13 H9 Cd N O5 -","- C52 H36 Cd4 N4 O20 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0221","0.0185","","","0.0446","0.0472","","","","","","1.075","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506326","16.639","0.006","9.887","0.004","13.205","0.005","90","","106.768","0.003","90","","2080","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cd N3 O5 -","- C23 H17 Cd N3 O5 -","- C92 H68 Cd4 N12 O20 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0286","0.0229","","","0.055","0.0585","","","","","","0.998","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506327","16.603","0.012","9.712","0.007","12.777","0.009","90","","105.503","0.006","90","","1985","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Co N3 O5 -","- C23 H17 Co N3 O5 -","- C92 H68 Co4 N12 O20 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0602","0.0437","","","0.1042","0.1134","","","","","","1.026","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506328","16.567","0.004","9.838","0.002","13.03","0.003","90","","105.955","0.002","90","","2041.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Mn N3 O5 -","- C23 H17 Mn N3 O5 -","- C92 H68 Mn4 N12 O20 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.091","0.0542","","","0.1178","0.1363","","","","","","1.038","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506329","9.4178","0.0006","10.2005","0.0007","12.0937","0.0009","76.185","0.006","89.248","0.006","67.319","0.006","1036.89","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Co N3 O5 -","- C25 H17 Co N3 O5 -","- C50 H34 Co2 N6 O10 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.05","0.0357","","","0.0702","0.0757","","","","","","1.026","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506330","9.397","0.004","10.234","0.004","12.236","0.005","76.491","0.004","89.12","0.004","67.549","0.004","1053.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Mn N3 O5 -","- C25 H17 Mn N3 O5 -","- C50 H34 Mn2 N6 O10 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.1198","0.0665","","","0.1234","0.1477","","","","","","1.032","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506331","8.08","0.011","25.88","0.03","13.345","0.018","90","","90","","90","","2791","6","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H25 N2 Nd O13 -","- C26 H25 N2 Nd O13 -","- C104 H100 N8 Nd4 O52 -","4","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0829","0.0693","","","0.1811","0.1936","","","","","","1.198","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506332","9.173","0.005","13.657","0.007","14.292","0.007","97.179","0.004","96.766","0.005","104.724","0.004","1697.1","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 N4 O10 Pr -","- C38 H27 N4 O10 Pr -","- C76 H54 N8 O20 Pr2 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0543","0.0426","","","0.0774","0.0812","","","","","","1.022","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506333","9.073","0.016","13.54","0.02","14.06","0.02","97.219","0.016","96.43","0.018","104.87","0.02","1637","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 N4 Nd O10 -","- C38 H27 N4 Nd O10 -","- C76 H54 N8 Nd2 O20 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0796","0.0497","","","0.0735","0.0795","","","","","","0.991","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506334","9.172","0.01","13.688","0.015","14.179","0.015","97.073","0.011","96.666","0.01","105.301","0.01","1683","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Eu N4 O10 -","- C38 H26.74 Eu N4 O10 -","- C76 H53.48 Eu2 N8 O20 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0776","0.0478","","","0.0785","0.0873","","","","","","1.037","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506335","9.141","0.003","13.712","0.004","14.123","0.005","97.311","0.003","96.607","0.003","105.351","0.003","1672.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Gd N4 O10 -","- C38 H27 Gd N4 O10 -","- C76 H54 Gd2 N8 O20 -","2","1","","Gu, Jinzhong; Gao, Zhuqing; Tang, Yu","pH and Auxiliary Ligand Influence on the Structural Variations of 5(2′-Carboxylphenyl) Nicotate Coordination Polymers","Crystal Growth & Design","2012","12","6","3312","","10.1021/cg300442b","","","0.71073","MoKα","","0.0445","0.0355","","","0.0882","0.0942","","","","","","1.03","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506336","15.403","0.001","15.403","0.001","22.617","0.003","90","","90","","90","","5365.9","0.9","293","2","293","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-[(mu-glutarato-K2-O,O')(mu3-adeninato-k3-N3:N7:N9)copper(II)]dihydrate","","- C20 H28 Cu2 N10 O10 -","- C20 H26 Cu2 N10 O10 -","- C160 H208 Cu16 N80 O80 -","8","0.5","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.1379","0.0552","","","0.1077","0.1227","","","","","","1.131","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506337","14.688","0.001","14.688","0.001","24.331","0.003","90","","90","","90","","5249.1","0.8","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-[(mu-adipato-K2-O,O')(mu3-adeninato-k3-N3:N7:N9)copper(II)]","","- C22 H26 Cu2 N10 O8 -","- C22 H26 Cu2 N10 O8 -","- C176 H208 Cu16 N80 O64 -","8","0.5","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.1497","0.0606","","","0.0881","0.1092","","","","","","1.082","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506338","15.6854","0.0005","15.6854","0.0005","23.2536","0.0009","90","","90","","90","","5721.1","0.3","100","2","100","2","","","","","","","synthesis as described","5","I 41/a :2","-I 4ad","88","","poly-[(mu-pimelato-K2-O,O')(mu3-adeninato-k3-N3:N7:N9)copper(II)]","","- C24 H30 Cu2 N10 O8 -","- C24 H30 Cu2 N10 O8 -","- C192 H240 Cu16 N80 O64 -","8","0.5","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.0866","0.0601","","","0.1289","0.1391","","","","","","1.072","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506339","7.758","0.002","8.341","0.002","11.773","0.002","100.98","0.02","97.44","0.02","94.19","0.02","737.8","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-[(mu4-glutarato-K4-O,O',O'',O''')(3-methyladenine-KN7)copper(II)]dihydrate","","- C11 H17 Cu N5 O6 -","- C11 H13 Cu N5 O6 -","- C22 H26 Cu2 N10 O12 -","2","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.0789","0.0504","","","0.1081","0.1173","","","","","","1.083","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506340","7.8705","0.0008","8.5184","0.0007","11.2615","0.0007","69.155","0.007","77.225","0.009","65.995","0.009","641.99","0.11","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-[(mu4-glutarato-K4-O,O',O'',O''')(9-methyladenine-kN7)copper(II)]","","- C11 H13 Cu N5 O4 -","- C11 H13 Cu N5 O4 -","- C22 H26 Cu2 N10 O8 -","2","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.0433","0.035","","","0.087","0.0886","","","","","","1.021","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506341","9.2597","0.0006","9.4665","0.0006","14.671","0.0009","80.899","0.005","75.478","0.005","67.339","0.005","1146.09","0.13","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-[(mu4-pimelatoK4-O,O',O'',O''')(9-methyladenine-kN7)copper(II)]pimelic acid","","- C20 H29 Cu N5 O8 -","- C20 H29 Cu N5 O8 -","- C40 H58 Cu2 N10 O16 -","2","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Directing the Formation of Adenine Coordination Polymers from Tunable Copper(II)/Dicarboxylato/Adenine Paddle-Wheel Building Units","Crystal Growth & Design","2012","12","6","3324","","10.1021/cg300446d","","","0.71073","MoKα","","0.0425","0.0272","","","0.0519","0.0539","","","","","","1.103","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506342","8.649","0.005","16.573","0.01","18.729","0.012","90","","96.097","0.007","90","","2669","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Co N4 O6 -","- C26 H30 Co N4 O6 -","- C104 H120 Co4 N16 O24 -","4","1","","Chang, Xin-Hong; Ma, Lu-Fang; Hui, Guo; Wang, Li-Ya","Four Low-Dimensional Cobalt(II) Coordination Polymers Based on a New Isophthalic Acid Derivative: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","7","3638","","10.1021/cg300461v","","","0.71073","MoKα","","0.1984","0.071","","","0.1462","0.1856","","","","","","1.021","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506343","19.7573","0.0012","19.757","","10.2813","0.0006","90","","90","","90","","4013.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H36 Co2 N4 O9 -","- C40 H36 Co2 N4 O9 -","- C160 H144 Co8 N16 O36 -","4","1","","Chang, Xin-Hong; Ma, Lu-Fang; Hui, Guo; Wang, Li-Ya","Four Low-Dimensional Cobalt(II) Coordination Polymers Based on a New Isophthalic Acid Derivative: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","7","3638","","10.1021/cg300461v","","","0.71073","MoKα","","0.0582","0.0549","","","0.1487","0.1521","","","","","","1.062","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506344","8.3347","0.0009","10.1455","0.0011","12.5359","0.0013","75.764","0.001","89.766","0.001","70.32","0.001","963.86","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Co N O6 -","- C21 H19 Co N O6 -","- C42 H38 Co2 N2 O12 -","2","1","","Chang, Xin-Hong; Ma, Lu-Fang; Hui, Guo; Wang, Li-Ya","Four Low-Dimensional Cobalt(II) Coordination Polymers Based on a New Isophthalic Acid Derivative: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","7","3638","","10.1021/cg300461v","","","0.71073","MoKα","","0.0325","0.0296","","","0.0722","0.0741","","","","","","1.047","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506345","10.4565","0.0012","19.215","0.002","16.9416","0.0018","90","","93.611","0.001","90","","3397.2","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H30 Co N2 O8 -","- C40 H30 Co N2 O8 -","- C160 H120 Co4 N8 O32 -","4","0.5","","Chang, Xin-Hong; Ma, Lu-Fang; Hui, Guo; Wang, Li-Ya","Four Low-Dimensional Cobalt(II) Coordination Polymers Based on a New Isophthalic Acid Derivative: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2012","12","7","3638","","10.1021/cg300461v","","","0.71073","MoKα","","0.04","0.0304","","","0.0782","0.0839","","","","","","1.04","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506346","6.4022","0.0002","21.3894","0.0007","14.1932","0.0005","90","","93.172","0.003","90","","1940.63","0.11","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 O18 S Sm2 -","- C10 H16 N4 O18 S Sm2 -","- C40 H64 N16 O72 S4 Sm8 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0424","0.0288","","","0.0446","0.048","","","","","","0.998","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506347","6.4592","0.0001","21.448","0.0005","14.2117","0.0003","90","","93.261","0.002","90","","1965.66","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Eu2 N4 O18 S -","- C10 H16 Eu2 N4 O18 S -","- C40 H64 Eu8 N16 O72 S4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0407","0.028","","","0.0427","0.0464","","","","","","1.029","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506348","6.4504","0.0003","21.3003","0.0008","14.1455","0.0005","90","","93.347","0.004","90","","1940.21","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N4 O18 S Tb2 -","- C10 H16 N4 O18 S Tb2 -","- C40 H64 N16 O72 S4 Tb8 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0609","0.0444","","","0.0852","0.0965","","","","","","1.039","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506349","6.4417","0.0002","21.2712","0.0005","14.1377","0.0004","90","","93.272","0.002","90","","1934.03","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Dy2 N4 O18 S -","- C10 H16 Dy2 N4 O18 S -","- C40 H64 Dy8 N16 O72 S4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0489","0.0353","","","0.071","0.0803","","","","","","1.035","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506350","6.4406","0.0002","21.1952","0.0009","14.1015","0.0005","90","","93.35","0.003","90","","1921.7","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Ho2 N4 O18 S -","- C10 H16 Ho2 N4 O18 S -","- C40 H64 Ho8 N16 O72 S4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0499","0.0345","","","0.0603","0.0683","","","","","","1.058","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506351","6.4435","0.0001","21.1512","0.0005","14.095","0.0003","90","","93.268","0.002","90","","1917.85","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Er2 N4 O18 S -","- C10 H16 Er2 N4 O18 S -","- C40 H64 Er8 N16 O72 S4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0491","0.0333","","","0.0596","0.0674","","","","","","1.04","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506352","6.555","0.0002","13.3453","0.0004","12.6525","0.0004","90","","101.999","0.003","90","","1082.64","0.06","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N3 O8 S Sm -","- C7 H8 N3 O8 S Sm -","- C28 H32 N12 O32 S4 Sm4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0414","0.0285","","","0.0497","0.0538","","","","","","1.024","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506353","6.5432","0.0003","13.3204","0.0005","12.6867","0.0005","90","","101.694","0.004","90","","1082.8","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Eu N3 O8 S -","- C7 H8 Eu N3 O8 S -","- C28 H32 Eu4 N12 O32 S4 -","4","1","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0342","0.0253","","","0.0476","0.0509","","","","","","1.021","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506354","21.3716","0.0008","6.6466","0.0003","13.0805","0.0006","90","","106.971","0.004","90","","1777.15","0.14","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N4 O14 S Tb2 -","- C10 H8 N4 O14 S Tb2 -","- C40 H32 N16 O56 S4 Tb8 -","4","0.5","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0493","0.0334","","","0.0565","0.0634","","","","","","1.047","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506355","21.307","0.0009","6.6298","0.0002","13.0431","0.0006","90","","106.857","0.005","90","","1763.31","0.13","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Dy2 N4 O14 S -","- C10 H8 Dy2 N4 O14 S -","- C40 H32 Dy8 N16 O56 S4 -","4","0.5","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0476","0.0336","","","0.0675","0.0733","","","","","","1.027","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506356","21.143","0.005","6.5928","0.0014","12.948","0.003","90","","106.242","0.003","90","","1732.8","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Er2 N4 O14 S -","- C10 H8 Er2 N4 O14 S -","- C40 H32 Er8 N16 O56 S4 -","4","0.5","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0383","0.0326","","","0.0827","0.0863","","","","","","1.09","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506357","21.0206","0.001","6.5588","0.0004","12.8661","0.0006","90","","106.016","0.005","90","","1705","0.16","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N4 O14 S Yb2 -","- C10 H8 N4 O14 S Yb2 -","- C40 H32 N16 O56 S4 Yb8 -","4","0.5","","Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu","Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties","Crystal Growth & Design","2012","12","7","3675","","10.1021/cg300476e","","","0.71073","MoKα","","0.0256","0.0198","","","0.0424","0.0431","","","","","","1.022","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506358","29.243","0.003","22.585","0.002","35.586","0.003","90","","97.759","0.002","90","","23288","4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C217 H190 N46 Ni12 O25 S12 -","- C198.5 H128 N42 Ni12 O23 S12 -","- C794 H512 N168 Ni48 O92 S48 -","4","0.5","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; He, Zhangzhen; Yuan, Daqiang; Chen, Lian; Su, Kongzhao; Hong, Maochun","Self-Assembly of Thiacalix[4]arene-Supported Nickel(II)/Cobalt(II) Complexes Sustained by in Situ Generated 5-Methyltetrazolate Ligand","Crystal Growth & Design","2012","12","6","3335","","10.1021/cg300483c","","","0.71073","MoKα","","0.0586","0.053","","","0.163","0.1696","","","","","","1.053","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506359","28.959","0.004","23.024","0.003","35.283","0.005","90","","98.648","0.002","90","","23258","6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C198 H171 Co12 N31 O29 S12 -","- C193 H128 Co12 N29 O28 S12 -","- C772 H512 Co48 N116 O112 S48 -","4","0.5","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; He, Zhangzhen; Yuan, Daqiang; Chen, Lian; Su, Kongzhao; Hong, Maochun","Self-Assembly of Thiacalix[4]arene-Supported Nickel(II)/Cobalt(II) Complexes Sustained by in Situ Generated 5-Methyltetrazolate Ligand","Crystal Growth & Design","2012","12","6","3335","","10.1021/cg300483c","","","0.71073","MoKα","","0.0717","0.0605","","","0.1777","0.1879","","","","","","1.057","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506360","41.923","0.01","40.358","0.009","16.146","0.004","90","","90","","90","","27318","11","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C160 H209 Co12 N35 O24 S12 -","- C154 H32 Co12 N33 O22 S12 -","- C616 H128 Co48 N132 O88 S48 -","4","0.5","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; He, Zhangzhen; Yuan, Daqiang; Chen, Lian; Su, Kongzhao; Hong, Maochun","Self-Assembly of Thiacalix[4]arene-Supported Nickel(II)/Cobalt(II) Complexes Sustained by in Situ Generated 5-Methyltetrazolate Ligand","Crystal Growth & Design","2012","12","6","3335","","10.1021/cg300483c","","","0.71073","MoKα","","0.1195","0.0949","","","0.2817","0.3082","","","","","","1.074","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506361","23.369","0.003","40.035","0.004","21.28","0.002","90","","109.65","0.002","90","","18750","4","120","2","120","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C240 H340 Cl4 Co16 N76 O30 S16 -","- C217.16 H235.12 Cl4 Co16 N67.08 O25 S16 -","- C434.32 H470.24 Cl8 Co32 N134.16 O50 S32 -","2","0.25","","Xiong, Kecai; Jiang, Feilong; Gai, Yanli; He, Zhangzhen; Yuan, Daqiang; Chen, Lian; Su, Kongzhao; Hong, Maochun","Self-Assembly of Thiacalix[4]arene-Supported Nickel(II)/Cobalt(II) Complexes Sustained by in Situ Generated 5-Methyltetrazolate Ligand","Crystal Growth & Design","2012","12","6","3335","","10.1021/cg300483c","","","0.71073","MoKα","","0.06","0.0544","","","0.1629","0.1689","","","","","","1.05","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506362","10.837","0.002","7.6503","0.0015","7.2566","0.0015","90","","95.41","0.03","90","","598.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O6 S2 -","- C10 H12 N2 O6 S2 -","- C20 H24 N4 O12 S4 -","2","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0418","0.0387","","","0.1041","0.1112","","","","","","1.069","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506363","11.187","0.002","8.231","0.0016","8.5011","0.0017","90","","100.26","0.03","90","","770.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O6 S2 -","- C12 H16 N2 O6 S2 -","- C24 H32 N4 O12 S4 -","2","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0714","0.0508","","","0.1251","0.1528","","","","","","1.08","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506364","25.475","0.005","7.4957","0.0015","7.9814","0.0016","90","","91.11","0.03","90","","1523.8","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 N2 O6 S2 -","- C13 H18 N2 O6 S2 -","- C52 H72 N8 O24 S8 -","4","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.1032","0.0632","","","0.1297","0.1425","","","","","","1.043","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506365","17.786","0.004","10.674","0.002","9.3039","0.0019","90","","116.72","0.03","90","","1577.7","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 N2 O6 S2 -","- C14 H20 N2 O6 S2 -","- C56 H80 N8 O24 S8 -","4","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0479","0.0434","","","0.1118","0.1161","","","","","","1.03","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506366","8.7396","0.0017","9.92","0.002","13.624","0.003","69.27","0.03","72.65","0.03","77.08","0.03","1045.2","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 O8 S2 -","- C18 H24 N2 O8 S2 -","- C36 H48 N4 O16 S4 -","2","1","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0645","0.0559","","","0.1588","0.1766","","","","","","1.09","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506367","39.141","0.008","7.2708","0.0015","7.8823","0.0016","90","","92.9","0.03","90","","2240.3","0.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N4 O6 S2 -","- C22 H24 N4 O6 S2 -","- C88 H96 N16 O24 S8 -","4","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0428","0.0403","","","0.1037","0.1058","","","","","","1.084","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506368","9.1443","0.0018","8.0163","0.0016","12.632","0.003","90","","109.4","0.03","90","","873.4","0.4","295","2","295","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H16 N2 O6 S2 -","- C16 H16 N2 O6 S2 -","- C32 H32 N4 O12 S4 -","2","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0535","0.043","","","0.1083","0.1251","","","","","","1.093","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506369","13.383","0.003","12.706","0.003","13.944","0.003","90","","118.35","0.03","90","","2086.7","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 N2 O9 S2 -","- C17 H24 N2 O9 S2 -","- C68 H96 N8 O36 S8 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0791","0.0569","","","0.1721","0.193","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506370","5.7543","0.0012","14.022","0.003","14.952","0.003","83.94","0.03","81.13","0.03","84.37","0.03","1181.2","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O9 S3 -","- C22 H22 N2 O9 S3 -","- C44 H44 N4 O18 S6 -","2","1","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.088","0.0657","","","0.1828","0.2232","","","","","","1.031","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506371","28.3","0.006","7.0286","0.0014","22.237","0.004","90","","126.43","0.03","90","","3558.8","1.8","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 N4 O11 S4 -","- C34 H34 N4 O11 S4 -","- C136 H136 N16 O44 S16 -","4","0.5","","Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","A Co-Crystal Strategy to Tune the Supramolecular Patterns and Luminescent Properties: Ten Well-Designed Salts Assembled by Arenedisulfonic Acid with Diverse Diamines","Crystal Growth & Design","2012","12","6","3342","","10.1021/cg3004855","","","0.71073","MoKα","","0.0717","0.0468","","","0.1224","0.1678","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506372","10.87255","0.00018","10.87255","0.00018","6.94718","0.00011","90","","90","","120","","711.22","0.02","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","Barium Strontium Fluoride Borate","","","- B3.65 Ba3.12 F3.05 O10.95 Sr3.88 -","- B3.648 Ba3.118 F3.072 O10.94 Sr3.882 -","- B7.296 Ba6.236 F6.144 O21.88 Sr7.764 -","2","0.166667","","Rashchenko, S. V.; Bekker, T. B.; Bakakin, V. V.; Seryotkin, Yu. V.; Shevchenko, V. S.; Kokh, A. E.; Stonoga, S. Yu.","New Fluoride Borate Solid‒Solution Series Ba4‒xSr3+x(BO3)4‒yF2+3y","Crystal Growth & Design","2012","12","6","2955","","10.1021/cg3004933","","x-ray","0.71073","MoKα","","0.0376","0.0346","","","0.0828","0.0844","","","","","","1.101","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506373","17.111","0.014","9.427","0.005","17.606","0.012","90","","113.37","0.04","90","","2607","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H30 Cl2 N4 O12 Zn -","- C16 H30 Cl2 N4 O12 Zn -","- C64 H120 Cl8 N16 O48 Zn4 -","4","0.5","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Branchadell, Vicenç","Anion Influence on the Structure ofN,O-Hybrid Pyrazole ZnII, CdII, and HgIIComplexes. Synthesis, Characterization, and Theoretical Studies","Crystal Growth & Design","2012","12","7","3700","","10.1021/cg300506c","","","0.71073","MoKα","","0.1529","0.0659","","","0.1221","0.1468","","","","","","1.094","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506374","10.267","0.003","14.302","0.003","17.097","0.004","90","","95.02","0.02","90","","2500.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cd Cl2 N4 O11 -","- C16 H28 Cd Cl2 N4 O11 -","- C64 H112 Cd4 Cl8 N16 O44 -","4","1","","Guerrero, Miguel; Pons, Josefina; Ros, Josep; Font-Bardia, Mercè; Branchadell, Vicenç","Anion Influence on the Structure ofN,O-Hybrid Pyrazole ZnII, CdII, and HgIIComplexes. Synthesis, Characterization, and Theoretical Studies","Crystal Growth & Design","2012","12","7","3700","","10.1021/cg300506c","","","0.71073","MoKα","","0.0595","0.0538","","","0.1417","0.1494","","","","","","1.202","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506375","22.5959","0.001","19.8166","0.0005","19.817","","90","","90","","90","","8873.5","0.5","173","2","173","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C21 H16 Cu3 O15 -","- C21 H9 Cu3 O15 -","- C168 H72 Cu24 O120 -","8","0.5","","Cai, Yang; Zhang, Yadong; Huang, Yougui; Marder, Seth R.; Walton, Krista S.","Impact of Alkyl-Functionalized BTC on Properties of Copper-Based Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","7","3709","","10.1021/cg300518k","","","1.54178","CuKα","","0.1517","0.137","","","0.3853","0.3971","","","","","","1.603","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506376","20.1311","0.0016","20.1311","0.0016","20.5559","0.0016","90","","90","","90","","8330.5","1.1","173","2","173","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C22 H Cu3 O20.5 -","- C22 H8 Cu3 O20.5 -","- C176 H64 Cu24 O164 -","8","0.5","","Cai, Yang; Zhang, Yadong; Huang, Yougui; Marder, Seth R.; Walton, Krista S.","Impact of Alkyl-Functionalized BTC on Properties of Copper-Based Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","7","3709","","10.1021/cg300518k","","","1.54178","CuKα","","0.2764","0.2727","","","0.7227","0.7297","","","","","","1.238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506377","35.625","0.007","28.58","0.006","10.403","0.002","90","","98.3","0.03","90","","10481","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C1.46 H7.32 Ge13.54 N1.46 O40 Si4.46 -","- C1.464 H7.32 Ge13.5395 N1.464 O40 Si4.4614 -","- C11.712 H58.56 Ge108.316 N11.712 O320 Si35.6912 -","8","1","","Tang, Liqiu; Ren, Xiaoyan; Inge, A. Ken; Willhammar, Tom; Grüner, Daniel; Yu, Jihong; Zou, Xiaodong","A Stacking Faults-Containing Silicogermanate with 24-Ring Channels and UnbranchedZweierSilica Double Chains","Crystal Growth & Design","2012","12","7","3714","","10.1021/cg300519t","","","0.71073","MoKα","","0.1255","0.0885","","","0.2511","0.2785","","","","","","0.989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506378","12.0489","0.0005","7.2772","0.0003","10.0552","0.0003","90","","90","","90","","881.66","0.06","100","2","100","2","","","","","","","","5","C c c m","-C 2 2c","66","","flouro-1,2-phenylenediboronic acid","","- C6 H9 B2 F O5 -","- C6 H9 B2 F O5 -","- C24 H36 B8 F4 O20 -","4","0.25","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids","Crystal Growth & Design","2012","12","7","3720","","10.1021/cg3005272","","x-ray","0.71073","MoKα","","0.0452","0.0402","","","0.1177","0.1213","","","","","","1.136","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506379","12.207","0.002","7.329","0.0014","10.0807","0.0019","90","","90","","90","","901.9","0.3","100","2","100","2","","","","","","","","5","C c c m","-C 2 2c","66","","2,6-difluoro-1,4-benzenediboronic acid","","- C6 H8 B2 F2 O5 -","- C6 H7.996 B2 F2.004 O5 -","- C24 H31.984 B8 F8.016 O20 -","4","0.25","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids","Crystal Growth & Design","2012","12","7","3720","","10.1021/cg3005272","","","0.71073","MoKα","","0.037","0.0302","","","0.089","0.0913","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506380","4.9838","0.0019","5.2569","0.0019","7.423","0.003","74.671","0.011","84.636","0.01","89","0.01","186.73","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,5-difluoro-1,4-phenylenediboronic acid","","- C6 H6 B2 F2 O4 -","- C6 H6 B2 F2 O4 -","- C6 H6 B2 F2 O4 -","1","0.5","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids","Crystal Growth & Design","2012","12","7","3720","","10.1021/cg3005272","","x-ray","0.71073","MoKα","","0.094","0.0645","","","0.1719","0.1988","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506381","8.4258","0.0012","5.0244","0.0006","10.1656","0.0014","90","","106.254","0.007","90","","413.16","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetraflouro-1,2-phenylenediboronic acid","","- C6 H4 B2 F4 O4 -","- C6 H4 B2 F4 O4 -","- C12 H8 B4 F8 O8 -","2","0.5","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids","Crystal Growth & Design","2012","12","7","3720","","10.1021/cg3005272","","x-ray","0.71073","MoKα","","0.0758","0.0554","","","0.1608","0.1725","","","","","","1.109","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506382","9.5511","0.0004","28.2123","0.0015","7.6516","0.0003","90","","109.571","0.004","90","","1942.67","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-difluoro-1,4-phenylenediboronic acid","","- C6 H10 B2 F2 O6 -","- C6 H10 B2 F2 O6 -","- C48 H80 B16 F16 O48 -","8","2","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Structural and Energetic Landscape of Fluorinated 1,4-Phenylenediboronic Acids","Crystal Growth & Design","2012","12","7","3720","","10.1021/cg3005272","","","0.71073","MoKα","","0.0531","0.0352","","","0.1067","0.1115","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506383","9.64","0.0002","10.4477","0.0002","10.4032","0.0003","90","","107.908","0.003","90","","997","0.04","110","2","110","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","gallic acid monohydrate acetamide","","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C36 H44 N4 O24 -","4","1","","Kaur, Ramanpreet; Guru Row, Tayur N.","Polymorphic Anhydrous Cocrystals of Gallic Acid and Acetamide from Methanol: Pointers toward a Stable Cocrystal Form","Crystal Growth & Design","2012","12","6","2744","","10.1021/cg300536n","","x-ray","0.71073","MoKα","","0.0325","0.0297","","","0.0783","0.0807","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506384","7.186","0.0003","7.9309","0.0004","14.6006","0.0008","82.635","0.004","82.395","0.004","87.086","0.004","817.5","0.07","110","2","110","2","","","","","","","see text","4","P -1","-P 1","2","gallic acid monohydrate acetamide","","","- C13 H21 N3 O8 -","- C13 H21 N3 O8 -","- C26 H42 N6 O16 -","2","1","","Kaur, Ramanpreet; Guru Row, Tayur N.","Polymorphic Anhydrous Cocrystals of Gallic Acid and Acetamide from Methanol: Pointers toward a Stable Cocrystal Form","Crystal Growth & Design","2012","12","6","2744","","10.1021/cg300536n","","x-ray","0.71073","MoKα","","0.0451","0.0387","","","0.1031","0.1085","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506385","4.263","0.0002","22.5002","0.001","10.0489","0.0003","90","","92.868","0.003","90","","962.67","0.07","110","2","110","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","gallic acid monohydrate acetamide","","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C36 H44 N4 O24 -","4","1","","Kaur, Ramanpreet; Guru Row, Tayur N.","Polymorphic Anhydrous Cocrystals of Gallic Acid and Acetamide from Methanol: Pointers toward a Stable Cocrystal Form","Crystal Growth & Design","2012","12","6","2744","","10.1021/cg300536n","","x-ray","0.71073","MoKα","","0.0453","0.0364","","","0.0915","0.0991","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506386","5.1914","0.0002","18.9993","0.0006","10.0732","0.0003","90","","100.331","0.003","90","","977.44","0.06","110","2","110","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","gallic acid monohydrate acetamide","","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C36 H44 N4 O24 -","4","1","","Kaur, Ramanpreet; Guru Row, Tayur N.","Polymorphic Anhydrous Cocrystals of Gallic Acid and Acetamide from Methanol: Pointers toward a Stable Cocrystal Form","Crystal Growth & Design","2012","12","6","2744","","10.1021/cg300536n","","x-ray","0.71073","MoKα","","0.0421","0.0354","","","0.0917","0.097","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506387","28.342","0.006","4.9027","0.0004","20.113","0.004","90","","134.53","0.04","90","","1992.3","1.5","120","2","120","2","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","gallic acid monohydrate acetamide","","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C72 H88 N8 O48 -","8","1","","Kaur, Ramanpreet; Guru Row, Tayur N.","Polymorphic Anhydrous Cocrystals of Gallic Acid and Acetamide from Methanol: Pointers toward a Stable Cocrystal Form","Crystal Growth & Design","2012","12","6","2744","","10.1021/cg300536n","","x-ray","0.71073","MoKα","","0.0412","0.0338","","","0.0844","0.09","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506388","7.694","0.003","12.172","0.005","12.337","0.005","80.08","0.03","75.94","0.03","86.75","0.03","1103.9","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Cd N2 O5 -","- C24 H15 Cd N2 O5 -","- C48 H30 Cd2 N4 O10 -","2","1","","Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man","Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies","Crystal Growth & Design","2012","12","7","3758","","10.1021/cg300559p","","x-ray","0.71073","MoKα","","0.0844","0.05","","","0.1132","0.1356","","","","","","0.979","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506389","16.701","0.0003","12.0214","0.0002","26.99","0.0006","90","","96.448","0.002","90","","5384.49","0.18","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 Cd N4 O9 -","- C29 H20 Cd N4 O9 -","- C232 H160 Cd8 N32 O72 -","8","1","","Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man","Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies","Crystal Growth & Design","2012","12","7","3758","","10.1021/cg300559p","","x-ray","0.71073","MoKα","","0.0709","0.0433","","","0.0923","0.1055","","","","","","1.014","","","","has coordinates,has disorder","179599","2020-10-21","18:00:00",""
"4506390","9.6879","0.001","13.4937","0.0015","14.8574","0.0016","80.996","0.008","72.805","0.007","83.954","0.007","1829","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H52 Cd3 N12 O16 S2 -","- C76 H52 Cd3 N12 O16 S2 -","- C76 H52 Cd3 N12 O16 S2 -","1","0.5","","Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man","Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies","Crystal Growth & Design","2012","12","7","3758","","10.1021/cg300559p","","x-ray","0.71073","MoKα","","0.0974","0.0503","","","0.0971","0.117","","","","","","0.983","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506391","9.388","0.003","13.353","0.005","14.644","0.005","80.535","0.008","72.638","0.006","84.24","0.007","1725.7","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H52 Co3 N12 O16 S2 -","- C76 H52 Co3 N12 O16 S2 -","- C76 H52 Co3 N12 O16 S2 -","1","0.5","","Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man","Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies","Crystal Growth & Design","2012","12","7","3758","","10.1021/cg300559p","","x-ray","0.71073","MoKα","","0.0909","0.0675","","","0.1821","0.1996","","","","","","1.015","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506392","9.393","0.002","13.33","0.003","14.569","0.004","80.389","0.019","73.261","0.017","83.787","0.018","1718.9","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H52 N12 Ni3 O16 S2 -","- C76 H52 N12 Ni3 O16 S2 -","- C76 H52 N12 Ni3 O16 S2 -","1","0.5","","Ke, Chun-Hung; Lin, Guan-Ru; Kuo, Bing-Chiuan; Lee, Hon Man","Coordination Polymers with Bulky Bis(imidazole) and Aromatic Carboxylate Ligands: Diversity in Metal-Containing Nodes and Three-Dimensional Net Topologies","Crystal Growth & Design","2012","12","7","3758","","10.1021/cg300559p","","x-ray","0.71073","MoKα","","0.1687","0.0709","","","0.1492","0.1917","","","","","","0.964","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506393","17.216","0.0006","28.9876","0.0012","30.7307","0.0011","90","","90","","90","","15336.2","1","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C64 H44 N8 O12 Zn2 -","- C64 H44 N8 O12 Zn2 -","- C512 H352 N64 O96 Zn16 -","8","0.25","","Luo, Feng; Yuan, Zi-Zun; Feng, Xue-Feng; Batten, Stuart R.; Li, Jian-Qiang; Luo, Ming-Biao; Liu, Shu-Juan; Xu, Wen-Yuan; Sun, Gong-Ming; Song, Yu-Mei; Huang, Hai-Xiao; Tian, Xian-Zhao","Multifunctional 3-Fold Interpenetrated Porous Metal‒Organic Frameworks Composed of Unprecedented Self-Catenated Networks","Crystal Growth & Design","2012","12","7","3392","","10.1021/cg300585t","","","0.71073","MoKα","","0.0836","0.0534","","","0.1336","0.1445","","","","","","0.946","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506394","7.7162","0.0003","7.9195","0.0003","12.2788","0.0005","86.575","0.003","86.801","0.002","71.148","0.002","708.29","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidine-2-chlorobenzoic acid","","- C13 H14 Cl N3 O4 -","- C13 H14 Cl N3 O4 -","- C26 H28 Cl2 N6 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.085","0.0465","","","0.1167","0.1373","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506395","7.5478","0.0002","7.8842","0.0002","13.4987","0.0003","88.995","0.002","75.052","0.002","73.045","0.002","740.92","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidine-2-methylbenzoic acid","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C28 H34 N6 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.1592","0.0593","","","0.1457","0.1883","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506396","4.9969","0.0001","11.1131","0.0002","14.0377","0.0003","93.866","0.002","92.245","0.002","97.287","0.002","770.58","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidine-cinnamic acid","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C30 H34 N6 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0928","0.0459","","","0.1178","0.1521","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506397","4.762","0.0001","10.949","0.0002","28.4995","0.0006","90","","90.455","0.002","90","","1485.89","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethoxypyrimidine-4-nitrobenzoic acid","","- C13 H14 N4 O6 -","- C13 H14 N4 O6 -","- C52 H56 N16 O24 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0634","0.0402","","","0.0971","0.1101","","","","","","1.039","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506398","7.0295","0.0001","26.2951","0.0004","8.5371","0.0001","90","","106.815","0.001","90","","1510.54","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethoxypyrimidine-4-methoxybenzoic acid","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0537","0.0388","","","0.1054","0.1172","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506399","9.4556","0.0002","11.1124","0.0003","11.8799","0.0003","83.595","0.002","74.532","0.001","66.94","0.002","1106.89","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidine-Isophthalic acid","","- C20 H24 N6 O8 -","- C20 H24 N6 O8 -","- C40 H48 N12 O16 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0615","0.0415","","","0.1089","0.1216","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506400","12.6481","0.0002","4.0374","0.0001","21.2104","0.0004","90","","91.739","0.001","90","","1082.62","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethoxypyrimidine-chloroacetic acid","","- C8 H12 Cl N3 O4 -","- C8 H12 Cl N3 O4 -","- C32 H48 Cl4 N12 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0833","0.0425","","","0.0938","0.1121","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506401","12.2675","0.0002","15.2303","0.0002","7.1217","0.0001","90","","97.728","0.001","90","","1318.52","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethoxypyrimidine-trichloroacetic acid","","- C8 H10 Cl3 N3 O4 -","- C8 H10 Cl3 N3 O4 -","- C32 H40 Cl12 N12 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0516","0.0352","","","0.0814","0.0894","","","","","","1.043","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506402","14.4255","0.0002","11.6661","0.0002","17.4006","0.0002","90","","90","","90","","2928.34","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-amino-4,6-dimethoxypyrimidine-5-chlorosalicylic acid","","- C13 H14 Cl N3 O5 -","- C13 H14 Cl N3 O5 -","- C104 H112 Cl8 N24 O40 -","8","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0866","0.0484","","","0.1213","0.139","","","","","","1.028","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506403","8.547","0.0001","8.9798","0.0001","19.271","0.0003","85.158","0.001","88.631","0.001","65.531","0.001","1341.31","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethoxypyrimidine-3-hydroxypicolinic acid","","- C12 H14 N4 O5 -","- C12 H14 N4 O5 -","- C48 H56 N16 O20 -","4","2","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0732","0.0446","","","0.123","0.1451","","","","","","1.022","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506404","16.0278","0.0004","24.0006","0.0006","7.3516","0.0002","90","","92.297","0.002","90","","2825.72","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethylpyrimidine-5-chlorosalicylic acid","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C104 H112 Cl8 N24 O24 -","8","2","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.077","0.0399","","","0.0919","0.1109","","","","","","1.03","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506405","4.1106","0.0002","9.8487","0.0005","13.7524","0.0007","85.906","0.004","85.005","0.003","80.131","0.003","545.53","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethylpyrimidine-malonic acid","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C18 H26 N6 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.1002","0.0682","","","0.19","0.2196","","","","","","1","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506406","29.6875","0.0011","4.6937","0.0002","14.2292","0.0006","90","","90","","90","","1982.76","0.14","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-amino-4,6-dimethylpyrimidine-glutaric acid","","- C17 H26 N6 O4 -","- C17 H26 N6 O4 -","- C68 H104 N24 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0425","0.0376","","","0.1116","0.116","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506407","8.2625","0.0003","17.4876","0.0005","14.3439","0.0005","90","","93.532","0.002","90","","2068.63","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethylpyrimidine-adipic acid","","- C18 H28 N6 O4 -","- C18 H28 N6 O4 -","- C72 H112 N24 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas","Design of Co-crystals/Salts of Aminopyrimidines and Carboxylic Acids through Recurrently Occurring Synthons","Crystal Growth & Design","2012","12","7","3766","","10.1021/cg3005954","","","0.71073","MoKα","","0.0802","0.0495","","","0.1272","0.1497","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506408","13.0735","0.0003","13.0828","0.0003","15.6584","0.0003","82.741","0.001","68.059","0.001","84.188","0.001","2460.03","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H41 N3 O12 Zn2 -","- C47 H35 N3 O12 Zn2 -","- C94 H70 N6 O24 Zn4 -","2","1","","Park, In-Hyeok; Kim, Kihwan; Lee, Shim Sung; Vittal, Jagadese J.","An Unusual Interweaving in a 3-Fold Interpenetrated Pillared-Layer Zn(II) Coordination Polymer with a Long Spacer Ligand","Crystal Growth & Design","2012","12","7","3397","","10.1021/cg300598y","","","0.71073","MoKα","","0.0881","0.0679","","","0.1908","0.2006","","","","","","1.106","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506409","11.2055","0.0002","14.5219","0.0003","20.0027","0.0004","90","","101.338","0.001","90","","3191.42","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H62 N2 O16 S Zn3 -","- C64 H40 N2 O16 S Zn3 -","- C128 H80 N4 O32 S2 Zn6 -","2","0.5","","Park, In-Hyeok; Kim, Kihwan; Lee, Shim Sung; Vittal, Jagadese J.","An Unusual Interweaving in a 3-Fold Interpenetrated Pillared-Layer Zn(II) Coordination Polymer with a Long Spacer Ligand","Crystal Growth & Design","2012","12","7","3397","","10.1021/cg300598y","","","0.71073","MoKα","","0.0498","0.0417","","","0.1202","0.1251","","","","","","1.048","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506410","20.994","0.007","32.153","0.011","6.953","0.002","90","","90","","90","","4693","3","100","2","100","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C132 H104 -","- C132 H104 -","- C264 H208 -","2","0.5","","Stopin, Antoine; Garcia-Garibay, Miguel A.","Crystals and Aggregates of a Molecular Tetrarotor with Multiple Trityl Embraces Derived from Tetraphenyladamantane","Crystal Growth & Design","2012","12","7","3792","","10.1021/cg300632q","","","0.71073","MoKα","","0.1249","0.0621","","","0.1191","0.1415","","","","","","0.919","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506421","12.259","0.002","20.215","0.004","17.619","0.004","90","","97.105","0.004","90","","4332.7","1.5","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H62 Ag3 Mo12 N14 O45 P -","- C48 H56 Ag3 Mo12 N14 O45 P -","- C96 H112 Ag6 Mo24 N28 O90 P2 -","2","1","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.1907","0.0899","","","0.1594","0.183","","","","","","1.082","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506422","12.1944","0.0008","20.2254","0.0013","17.5747","0.0011","90","","96.757","0.001","90","","4304.5","0.5","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H54 Ag3 N12 O46 P W12 -","- C42 H42 Ag3 N12 O46 P W12 -","- C84 H84 Ag6 N24 O92 P2 W24 -","2","1","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.1045","0.0536","","","0.1076","0.1203","","","","","","1.035","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506423","11.6621","0.0009","13.4355","0.0011","13.9027","0.001","76.274","0.005","67.563","0.005","69.521","0.003","1872.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H39 Ag3 Mo12 N15 O40 P -","- C42 H39 Ag3 Mo12 N15 O40 P -","- C42 H39 Ag3 Mo12 N15 O40 P -","1","0.5","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.115","0.0855","","","0.1899","0.1998","","","","","","1.084","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506424","14.2253","0.0007","15.622","0.0008","17.6383","0.0009","90.988","0.004","95.278","0.003","92.213","0.003","3899.3","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.25 H36.5 Ag2.5 N11 O43 P W12 -","- C33.25 H33 Ag2.5 N11 O43 P W12 -","- C66.5 H66 Ag5 N22 O86 P2 W24 -","2","1","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.1431","0.059","","","0.1293","0.1494","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506425","12.1185","0.0012","13.7109","0.0013","14.0587","0.0014","73.451","0.002","82.619","0.002","73.22","0.002","2141.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H51 Ag3 Mo12 N13 O42 P -","- C45 H42 Ag3 Mo12 N13 O42 P -","- C45 H42 Ag3 Mo12 N13 O42 P -","1","0.5","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.085","0.0706","","","0.1609","0.1652","","","","","","1.176","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506426","12.1046","0.0002","12.9993","0.0002","14.1836","0.0002","105.089","0.001","90.227","0.001","102.789","0.001","2096.9","0.06","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H46 Ag3 Mo12 N16 O41 P -","- C45 H46 Ag3 Mo12 N16 O41 P -","- C45 H46 Ag3 Mo12 N16 O41 P -","1","0.5","","Dang, Dongbin; Zheng, Yanning; Bai, Yan; Guo, Xiangyang; Ma, Pengtao; Niu, Jingyang","Assembly of Polyoxometalate-Based Metal‒Organic Frameworks with Silver(I)-Schiff Base Coordination Polymeric Chains as Building Blocks","Crystal Growth & Design","2012","12","8","3856","","10.1021/cg300075a","","","0.71073","MoKα","","0.0692","0.0465","","","0.1132","0.1238","","","","","","1.061","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506427","18.7606","0.0008","8.7418","0.0004","28.8086","0.0012","90","","101.736","0.001","90","","4625.9","0.3","170","2","170","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,1',3,3'-tetra(2-methyl-2-nonyl)ferrocene","","","- C50 H90 Fe -","- C50 H90 Fe -","- C200 H360 Fe4 -","4","0.5","","Clapsaddle, Brady J.; Caamaño, Samira; Hebert, Gretchen N.; Bayless, Michael B.; Kobayashi, Yoshihiro; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structures of 1,1′,3,3′-Tetra(2-methyl-2-nonyl)ferrocenium(1+) Oxoanion(1−) Salts. Layered Materials with Alternating Ionic and Low-Dielectric Paraffin-Like Domains Through Which Anion Diffusion is Rapid","Crystal Growth & Design","2012","12","8","3868","","10.1021/cg3000872","","","0.71073","MoKα","","0.1387","0.0675","","0.1622","0.1385","","","","0.865","1.059","1.059","","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506428","10.2152","0.001","8.7223","0.0008","27.602","0.003","90","","99.074","0.002","90","","2428.6","0.4","373","2","373","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H90 Cl Fe O4 -","- C50 H90 Cl Fe O4 -","- C100 H180 Cl2 Fe2 O8 -","2","0.5","","Clapsaddle, Brady J.; Caamaño, Samira; Hebert, Gretchen N.; Bayless, Michael B.; Kobayashi, Yoshihiro; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structures of 1,1′,3,3′-Tetra(2-methyl-2-nonyl)ferrocenium(1+) Oxoanion(1−) Salts. Layered Materials with Alternating Ionic and Low-Dielectric Paraffin-Like Domains Through Which Anion Diffusion is Rapid","Crystal Growth & Design","2012","12","8","3868","","10.1021/cg3000872","","","0.71073","MoKα","","0.0889","0.0542","","","0.129","0.1447","","","","","","1.033","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506429","9.3913","0.0014","8.6868","0.0013","29.695","0.005","90","","93.691","0.004","90","","2417.5","0.7","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","[DEC][NO~3~]","1,1',3,3'-tetra(2-methyl-2-nonyl)ferrocenium nitrate","","- C50 H90 Fe N O3 -","- C50 H90 Fe N O3 -","- C100 H180 Fe2 N2 O6 -","2","0.5","","Clapsaddle, Brady J.; Caamaño, Samira; Hebert, Gretchen N.; Bayless, Michael B.; Kobayashi, Yoshihiro; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structures of 1,1′,3,3′-Tetra(2-methyl-2-nonyl)ferrocenium(1+) Oxoanion(1−) Salts. Layered Materials with Alternating Ionic and Low-Dielectric Paraffin-Like Domains Through Which Anion Diffusion is Rapid","Crystal Growth & Design","2012","12","8","3868","","10.1021/cg3000872","","","0.71073","MoKα","","0.0772","0.0484","","","0.1068","0.118","","","","","","1.023","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506430","10.458","0.002","8.8509","0.0017","27.359","0.006","90","","99.311","0.004","90","","2499.1","0.9","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H90 Fe O4 Re -","- C50 H90 Fe O4.108 Re -","- C100 H180 Fe2 O8.216 Re2 -","2","0.5","","Clapsaddle, Brady J.; Caamaño, Samira; Hebert, Gretchen N.; Bayless, Michael B.; Kobayashi, Yoshihiro; Miller, Susie M.; Anderson, Oren P.; Strauss, Steven H.","Structures of 1,1′,3,3′-Tetra(2-methyl-2-nonyl)ferrocenium(1+) Oxoanion(1−) Salts. Layered Materials with Alternating Ionic and Low-Dielectric Paraffin-Like Domains Through Which Anion Diffusion is Rapid","Crystal Growth & Design","2012","12","8","3868","","10.1021/cg3000872","","","0.71073","MoKα","","0.0617","0.0421","","","0.0887","0.0955","","","","","","0.996","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506431","37.3364","0.0014","15.7791","0.0008","12.1979","0.0005","90","","101.693","0.004","90","","7037.1","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H25 F12 N6 Ni O0.5 P2 -","- C36 H24 F12 N6 Ni O0.5 P2 -","- C288 H192 F96 N48 Ni8 O4 P16 -","8","2","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0403","0.0361","","","0.0888","0.0899","","","","","","1.073","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506432","37.149","0.002","15.8742","0.001","12.1522","0.0009","90","","101.574","0.006","90","","7020.6","0.8","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C36 H25 F12 N6 O0.5 P2 Ru -","- C36 H24 F12 N6 O0.5 P2 Ru -","- C288 H192 F96 N48 O4 P16 Ru8 -","8","2","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0458","0.0388","","","0.082","0.0834","","","","","","1.039","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506433","37.1678","0.0013","15.7813","0.0005","12.1409","0.0003","90","","101.619","0.003","90","","6975.4","0.4","173","2","173","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C36 H25 F12 N6 Ni0.5 O0.5 P2 Ru0.5 -","- C36 H24 F12 N6 Ni0.5 O0.5 P2 Ru0.5 -","- C288 H192 F96 N48 Ni4 O4 P16 Ru4 -","8","2","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0621","0.0477","","","0.0969","0.1002","","","","","","1.094","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506434","10.6804","0.0003","10.6804","0.0003","16.5274","0.0005","90","","90","","120","","1632.71","0.08","225","2","225","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 Ni P2 -","- C30 H24 F12 N6 Ni P2 -","- C60 H48 F24 N12 Ni2 P4 -","2","0.166667","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.054","0.0362","","","0.0815","0.0845","","","","","","1.011","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506435","10.7046","0.0002","10.7046","0.0002","16.3796","0.0004","90","","90","","120","","1625.45","0.06","225","2","225","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 P2 Ru -","- C30 H24 F12 N6 P2 Ru -","- C60 H48 F24 N12 P4 Ru2 -","2","0.166667","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0348","0.0268","","","0.068","0.0703","","","","","","1.024","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506436","10.68488","0.00017","10.68488","0.00017","16.4633","0.0003","90","","90","","120","","1627.75","0.05","225","2","225","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C30 H24 F12 N6 Ni0.65 P2 Ru0.35 -","- C30 H24 F12 N6 Ni0.65 P2 Ru0.35 -","- C60 H48 F24 N12 Ni1.3 P4 Ru0.7 -","2","0.166667","","Bouzaid, Jocelyne; Schultz, Madeleine; Lao, Zane; Bartley, John; Bostrom, Thor; McMurtrie, John","Supramolecular Selection in Molecular Alloys","Crystal Growth & Design","2012","12","8","3906","","10.1021/cg300320r","","","0.71073","MoKα","","0.0372","0.0313","","","0.0754","0.0771","","","","","","1.029","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506437","7.3319","0.0015","12.459","0.003","18.157","0.004","90","","100.93","0.03","90","","1628.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O10 Zn -","- C12 H18 N2 O10 Zn -","- C48 H72 N8 O40 Zn4 -","4","1","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.0408","0.0324","","","0.0704","0.0749","","","","","","1.088","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506438","11.846","0.002","11.846","0.002","8.3276","0.0017","90","","90","","120","","1012","0.3","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C12 H10 N2 O6 Zn -","- C12 H6 N2 O6 Zn -","- C36 H18 N6 O18 Zn3 -","3","0.5","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.1118","0.0876","","","0.1749","0.1857","","","","","","1.002","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506439","7.3326","0.0015","13.46","0.003","14.19","0.003","90","","90","","90","","1400.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Co N2 O7 -","- C12 H6 Co N2 O7 -","- C48 H24 Co4 N8 O28 -","4","1","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.0328","0.032","","","0.0812","0.0815","","","","","","1.094","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506440","21.695","0.004","8.8627","0.0018","13.476","0.003","90","","125.77","0.03","90","","2102.4","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N2 O5 -","- C12 H6 Cu N2 O5 -","- C96 H48 Cu8 N16 O40 -","8","1","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.0458","0.0384","","","0.0921","0.0956","","","","","","1.082","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506441","6.7519","0.0014","13.246","0.003","13.27","0.003","90","","90","","90","","1186.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Mn N2 O6 -","- C12 H6 Mn N2 O6 -","- C48 H24 Mn4 N8 O24 -","4","1","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.0813","0.065","","","0.1599","0.1741","","","","","","1.056","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506442","9.1705","0.0008","10.7258","0.001","12.7688","0.0012","86.261","0.003","84.515","0.003","64.288","0.003","1126.02","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co La2 N12 O20 -","- C40 H28 Co La2 N12 O20 -","- C40 H28 Co La2 N12 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0367","0.034","","","0.0859","0.0868","","","","","","1.3","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506443","9.1359","0.0007","10.7085","0.0008","12.7553","0.0009","86.26","0.002","84.661","0.003","64.421","0.002","1120.25","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Ce2 Co N12 O20 -","- C40 H28 Ce2 Co N12 O20 -","- C40 H28 Ce2 Co N12 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0324","0.0311","","","0.0761","0.0767","","","","","","1.227","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506444","9.1438","0.001","10.6529","0.0012","12.6229","0.0014","84.768","0.003","84.951","0.003","63.115","0.002","1090.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co N12 O20 Pr2 -","- C40 H24 Co N12 O20 Pr2 -","- C40 H24 Co N12 O20 Pr2 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0439","0.0409","","","0.1064","0.1079","","","","","","1.176","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506445","9.1392","0.0007","10.6874","0.0009","12.6728","0.001","85.709","0.002","84.911","0.002","63.992","0.002","1107.18","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co N12 Nd2 O20 -","- C40 H28 Co N12 Nd2 O20 -","- C40 H28 Co N12 Nd2 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0398","0.036","","","0.0878","0.0904","","","","","","1.245","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506446","9.1722","0.0007","10.6883","0.0008","12.6395","0.001","84.691","0.002","84.866","0.002","63.115","0.002","1098.86","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co N12 O20 Sm2 -","- C40 H28 Co N12 O20 Sm2 -","- C40 H28 Co N12 O20 Sm2 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0345","0.0316","","","0.0645","0.0656","","","","","","1.175","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506447","9.5303","0.0018","10.526","0.002","13.192","0.003","73.487","0.004","86.001","0.004","63.889","0.003","1136.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Eu2 N12 O20 -","- C40 H28 Eu2 N12 O20 -","- C40 H28 Eu2 N12 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0385","0.0338","","","0.0835","0.0852","","","","","","1.217","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506448","9.2001","0.0016","10.6759","0.0018","12.631","0.002","83.966","0.004","84.79","0.004","62.573","0.003","1093.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co Gd2 N12 O20 -","- C40 H28 Co Gd2 N12 O20 -","- C40 H28 Co Gd2 N12 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0349","0.0312","","","0.0907","0.0989","","","","","","1.295","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506449","9.188","0.0009","10.6721","0.001","12.6208","0.0012","84.041","0.002","84.911","0.002","62.58","0.002","1091.4","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co N12 O20 Tb2 -","- C40 H28 Co N12 O20 Tb2 -","- C40 H28 Co N12 O20 Tb2 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0471","0.04","","","0.0929","0.104","","","","","","1.152","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506450","9.237","0.003","10.667","0.003","12.665","0.004","83.704","0.006","84.801","0.006","62.206","0.005","1096.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Co Dy2 N12 O20 -","- C40 H28 Co Dy2 N12 O20 -","- C40 H28 Co Dy2 N12 O20 -","1","0.5","","Liao, Sheng-Yun; Gu, Wen; Yang, Lin-Yan; Li, Tian-Hao; Tian, Jin-Lei; Wang, Li; Zhang, Ming; Liu, Xin","Series of Novel 3D Heterometallic Frameworks Based on the Co(II) Coordination Chains and Ln(III) Coordination Layers","Crystal Growth & Design","2012","12","8","3927","","10.1021/cg300326e","","","0.71075","MoKα","","0.0406","0.0336","","","0.0786","0.1011","","","","","","1.147","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506451","6.7257","0.0001","20.8422","0.0004","20.1942","0.0004","90","","99.507","0.001","90","","2791.91","0.09","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H30 Ca3 O24 -","- C18 H30 Ca3 O24 -","- C72 H120 Ca12 O96 -","4","0.5","","Vakiti, Raj Kishore; Garabato, Brady D.; Schieber, Natalie P.; Rucks, Melinda J.; Cao, Yan; Webb, Cathleen; Maddox, Jeremy B.; Celestian, Aaron; Pan, Wei-Ping; Yan, Bangbo","Synthesis and Characterization of Two- and Three-Dimensional Calcium Coordination Polymers Built with Benzene-1,3,5-tricarboxylate and/or Pyrazine-2-carboxylate","Crystal Growth & Design","2012","12","8","3937","","10.1021/cg3003349","","","0.71073","MoKα","","0.0625","0.0408","","","0.1029","0.1162","","","","","","0.947","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506452","8.9512","0.0002","12.9606","0.0004","14.406","0.0003","90","","90","","90","","1671.28","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Ca2 N2 O11 -","- C14 H12 Ca2 N2 O11 -","- C56 H48 Ca8 N8 O44 -","4","1","","Vakiti, Raj Kishore; Garabato, Brady D.; Schieber, Natalie P.; Rucks, Melinda J.; Cao, Yan; Webb, Cathleen; Maddox, Jeremy B.; Celestian, Aaron; Pan, Wei-Ping; Yan, Bangbo","Synthesis and Characterization of Two- and Three-Dimensional Calcium Coordination Polymers Built with Benzene-1,3,5-tricarboxylate and/or Pyrazine-2-carboxylate","Crystal Growth & Design","2012","12","8","3937","","10.1021/cg3003349","","","0.71073","MoKα","","0.0498","0.0328","","","0.0606","0.0648","","","","","","0.93","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506453","12.1144","0.0011","3.7765","0.0003","13.1365","0.0012","90","","115.484","0.001","90","","542.52","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","pyrogallol","","- C6 H6 O3 -","- C6 H6 O3 -","- C24 H24 O12 -","4","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0392","0.0372","","","0.0981","0.0998","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506454","24.5039","0.0012","24.5039","0.0012","3.7849","0.0004","90","","90","","90","","2272.6","0.3","100","2","100","2","","","","","","","","3","P 42/n :2","-P 4bc","86","","Pyrogallol 0.25 hydrate","","- C12 H13 O6.5 -","- C12 H13 O6.5 -","- C96 H104 O52 -","8","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0808","0.0788","","","0.1512","0.1522","","","","","","1.335","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506455","6.687","0.009","7.074","0.009","11.721","0.016","80.61","0.02","87.92","0.02","76.02","0.02","530.8","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1:1 complex of pyrogallol and pyrazinamide","","- C11 H11 N3 O4 -","- C11 H11 N3 O4 -","- C22 H22 N6 O8 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.1007","0.0779","","","0.2035","0.2176","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506456","17.056","0.002","5.8142","0.0007","18.163","0.002","90","","100.886","0.002","90","","1768.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2:4 complex of pyrogallol and isonicotinamide","","- C18 H18 N4 O5 -","- C18 H18 N4 O5 -","- C72 H72 N16 O20 -","4","2","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.106","0.0644","","","0.1192","0.1363","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506457","9.254","0.0008","9.5435","0.0009","10.0539","0.0009","72.464","0.001","83.73","0.002","80.092","0.001","832.47","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2:1 complex of pyrogallol and isonicotinamide","","- C18 H18 N2 O7 -","- C18 H18 N2 O7 -","- C36 H36 N4 O14 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0425","0.0389","","","0.095","0.0972","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506458","11.286","0.0013","19.551","0.002","7.8342","0.0009","90","","108.082","0.002","90","","1643.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2:1 complex of pyrogallol and nicotinamide","","- C18 H18 N2 O7 -","- C18 H18 N2 O7 -","- C72 H72 N8 O28 -","4","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0604","0.0445","","","0.101","0.1073","","","","","","1.051","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506459","8.0271","0.0016","16.182","0.003","20.306","0.004","74.727","0.003","86.151","0.004","85.632","0.004","2534.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3:5 complex of pyrogallol and quinoline","","- C63 H53 N5 O9 -","- C63 H53 N5 O9 -","- C126 H106 N10 O18 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.1765","0.1158","","","0.2072","0.2313","","","","","","1.127","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506460","7.5553","0.0008","11.6292","0.0013","18.763","0.002","88.645","0.009","80.688","0.009","76.572","0.01","1582.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2:3 complex of pyrogallol and quinoline","","- C39 H33 N3 O6 -","- C39 H33 N3 O6 -","- C78 H66 N6 O12 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0906","0.0429","","","0.0754","0.0839","","","","","","0.826","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506461","7.6809","0.0007","10.0076","0.0009","13.4348","0.0012","73.35","0.001","82.756","0.002","84.385","0.002","979.43","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1:2 complex of pyrogallol and 2 hydroxyquinoline","","- C24 H20 N2 O5 -","- C24 H20 N2 O5 -","- C48 H40 N4 O10 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.0463","0.0411","","","0.1048","0.109","","","","","","1.059","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506462","9.3257","0.001","9.5756","0.001","24.02","0.003","91.162","0.002","95.45","0.002","116.545","0.002","1905.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N6 O8 -","- C42 H40 N6 O8 -","- C84 H80 N12 O16 -","2","1","","Thakuria, Ranjit; Cherukuvada, Suryanarayan; Nangia, Ashwini","Crystal Structures of Pyrogallol, Its Hydrate, and Stable MultipleZ′ Cocrystals with N-Heterocycles Containing Metastable Conformers of Pyrogallol","Crystal Growth & Design","2012","12","8","3944","","10.1021/cg3003367","","","0.71073","MoKα","","0.101","0.0642","","","0.1588","0.1821","","","","","","1.024","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506463","16.867","0.003","17.127","0.003","11.97","0.002","90","","93.268","0.003","90","","3452.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 Cd N4 O4 -","- C41 H34 Cd N4 O4 -","- C164 H136 Cd4 N16 O16 -","4","0.5","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Diverse Structures of Metal‒Organic Frameworks Based on a New Star-Like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2012","12","8","3957","","10.1021/cg300386p","","","0.71073","MoKα","","0.0335","0.0304","","","0.0758","0.078","","","","","","1.038","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506464","13.0956","0.0015","13.3473","0.0015","21.61","0.002","103.591","0.002","100.939","0.002","91.078","0.002","3596.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H78 Co2 N8 O9 -","- C86 H78 Co2 N8 O9 -","- C172 H156 Co4 N16 O18 -","2","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Diverse Structures of Metal‒Organic Frameworks Based on a New Star-Like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2012","12","8","3957","","10.1021/cg300386p","","","0.71073","MoKα","","0.0811","0.0595","","","0.1197","0.1238","","","","","","1.067","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506465","17.7338","0.0019","9.9058","0.001","22.944","0.003","90","","91.794","0.002","90","","4028.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 N4 Ni O5 -","- C41 H30 N4 Ni O5 -","- C164 H120 N16 Ni4 O20 -","4","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Diverse Structures of Metal‒Organic Frameworks Based on a New Star-Like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2012","12","8","3957","","10.1021/cg300386p","","","0.71073","MoKα","","0.1059","0.0633","","","0.1542","0.1694","","","","","","1.09","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506466","17.005","0.002","10.593","0.0013","24.0013","0.0019","90","","91.215","0.003","90","","4322.5","0.8","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 N4 Ni O5 -","- C41 H36 N4 Ni O5 -","- C164 H144 N16 Ni4 O20 -","4","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yao, Xiao-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Diverse Structures of Metal‒Organic Frameworks Based on a New Star-Like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2012","12","8","3957","","10.1021/cg300386p","","","0.71073","MoKα","","0.0734","0.0529","","","0.1026","0.1069","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506467","6.9396","0.0007","7.3769","0.0007","21.345","0.002","90","","90","","90","","1092.71","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Cd2 Cl3 N5 -","- C6 H4 Cd2 Cl3 N5 -","- C24 H16 Cd8 Cl12 N20 -","4","1","","Chang, Che-Chi; Huang, Yun-Chieh; Huang, Sheng-Ming; Wu, Jing-Yun; Liu, Yen-Hsiang; Lu, Kuang-Lieh","Presynthesized and In-Situ Generated Tetrazolate Ligand in the Design of Chiral Cadmium Coordination Polymer","Crystal Growth & Design","2012","12","8","3825","","10.1021/cg300405j","","x-ray","0.71073","MoKα","","0.0133","0.0128","","","0.0247","0.025","","","","","","1.04","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506468","7.1323","0.0008","13.0072","0.0015","24.302","0.003","90","","90","","90","","2254.5","0.5","150","2","150","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C6 H7 Cd2 Cl2 N5 O2 -","- C6 H7 Cd2 Cl2 N5 O2 -","- C48 H56 Cd16 Cl16 N40 O16 -","8","1","","Chang, Che-Chi; Huang, Yun-Chieh; Huang, Sheng-Ming; Wu, Jing-Yun; Liu, Yen-Hsiang; Lu, Kuang-Lieh","Presynthesized and In-Situ Generated Tetrazolate Ligand in the Design of Chiral Cadmium Coordination Polymer","Crystal Growth & Design","2012","12","8","3825","","10.1021/cg300405j","","x-ray","0.71073","MoKα","","0.0202","0.0191","","","0.0472","0.0478","","","","","","1.122","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506469","10.323","0.003","20.812","0.005","10.166","0.003","90","","108.736","0.006","90","","2068.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Co N7 O6 -","- C20 H15 Co N7 O6 -","- C80 H60 Co4 N28 O24 -","4","1","","Zhu, Xia; Sun, Peng-Peng; Ding, Jian-Gang; Li, Bao-Long; Li, Hai-Yan","Tuning Cobalt Coordination Architectures by Bis(1,2,4-triazol-1-ylmethyl)benzene Position Isomers and 5-Nitroisophthalate","Crystal Growth & Design","2012","12","8","3992","","10.1021/cg300465r","","","0.7107","MoKα","","0.0657","0.0534","","","0.1187","0.1252","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506470","10.1925","0.0013","28.769","0.004","7.7372","0.001","90","","102.751","0.003","90","","2212.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Co N7 O7 -","- C21 H19 Co N7 O7 -","- C84 H76 Co4 N28 O28 -","4","1","","Zhu, Xia; Sun, Peng-Peng; Ding, Jian-Gang; Li, Bao-Long; Li, Hai-Yan","Tuning Cobalt Coordination Architectures by Bis(1,2,4-triazol-1-ylmethyl)benzene Position Isomers and 5-Nitroisophthalate","Crystal Growth & Design","2012","12","8","3992","","10.1021/cg300465r","","","0.7107","MoKα","","0.0459","0.0429","","","0.1045","0.1063","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506471","16.413","0.004","16.914","0.004","7.4606","0.0016","90","","95.163","0.008","90","","2062.7","0.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H17 Co N7 O7 -","- C20 H17 Co N7 O7 -","- C80 H68 Co4 N28 O28 -","4","1","","Zhu, Xia; Sun, Peng-Peng; Ding, Jian-Gang; Li, Bao-Long; Li, Hai-Yan","Tuning Cobalt Coordination Architectures by Bis(1,2,4-triazol-1-ylmethyl)benzene Position Isomers and 5-Nitroisophthalate","Crystal Growth & Design","2012","12","8","3992","","10.1021/cg300465r","","","0.7107","MoKα","","0.0459","0.0387","","","0.0814","0.0867","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506472","10.9851","0.0005","9.1493","0.0004","12.193","0.0005","90","","95.467","0.002","90","","1219.89","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0872","0.0611","","","0.1759","0.1943","","","","","","0.961","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506473","7.6301","0.0008","8.0885","0.0008","10.9791","0.0011","83.499","0.006","84.62","0.006","85.996","0.005","669.06","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cl N3 O -","- C14 H14 Cl N3 O -","- C28 H28 Cl2 N6 O2 -","2","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0443","0.0393","","","0.1584","0.169","","","","","","0.961","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506474","35.231","0.004","7.2754","0.0008","24.078","0.002","90","","111.71","0.005","90","","5733.9","1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C224 H224 N64 O64 -","16","2","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0955","0.0446","","","0.0998","0.1203","","","","","","0.955","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506475","12.7458","0.0013","8.445","0.0008","15.3489","0.0016","90","","105.319","0.007","90","","1593.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C64 H68 N12 O12 -","4","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.1027","0.046","","","0.1178","0.1436","","","","","","0.942","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506476","9.7632","0.0008","11.229","0.001","12.587","0.001","84.504","0.006","73.247","0.006","71.892","0.006","1255.88","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N6 O8 -","- C24 H24 N6 O8 -","- C48 H48 N12 O16 -","2","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0551","0.0434","","","0.1278","0.1456","","","","","","0.978","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506477","11.144","0.0011","19.3775","0.0019","8.156","0.0008","90","","94.871","0.005","90","","1754.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N3 O6 P -","- C15 H20 N3 O6 P -","- C60 H80 N12 O24 P4 -","4","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0643","0.0482","","","0.1699","0.1935","","","","","","0.906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506478","20.5488","0.0008","8.7943","0.0004","22.5893","0.0009","90","","90","","90","","4082.2","0.3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C176 H184 N24 O40 -","8","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.1046","0.0496","","","0.1284","0.1505","","","","","","0.953","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506479","7.5534","0.0007","12.6592","0.0011","24.36","0.002","83.284","0.005","86.424","0.006","84.813","0.006","2300.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N5 O7 -","- C25 H19 N5 O7 -","- C100 H76 N20 O28 -","4","2","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.1619","0.055","","","0.1188","0.1662","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506480","11.9549","0.0013","12.3956","0.0015","16.3123","0.0019","90","","121.255","0.007","90","","2066.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O6 S -","- C18 H19 N3 O6 S -","- C72 H76 N12 O24 S4 -","4","1","","Gogoi, Abhijit; Das, Gopal","Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality","Crystal Growth & Design","2012","12","8","4012","","10.1021/cg300496t","","","0.71073","MoKα","","0.0991","0.0799","","","0.188","0.2149","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506481","15.1255","0.0018","7.2302","0.0009","17.2796","0.0019","90","","110.198","0.007","90","","1773.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Felodipine III","","","- C18 H19 Cl2 N O4 -","- C18 H19 Cl2 N O4 -","- C72 H76 Cl8 N4 O16 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Perlovich, German L.; Bauer-Brandl, Annette","Crystallization and Polymorphism of Felodipine","Crystal Growth & Design","2012","12","8","4022","","10.1021/cg300501u","","","0.71073","MoKα","","0.0938","0.0634","","","0.1327","0.1442","","","","","","1.118","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506482","11.1129","0.0009","12.5688","0.0011","13.4969","0.0011","90","","107.009","0.004","90","","1802.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Felodipine IV","","","- C18 H19 Cl2 N O4 -","- C18 H19 Cl2 N O4 -","- C72 H76 Cl8 N4 O16 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Perlovich, German L.; Bauer-Brandl, Annette","Crystallization and Polymorphism of Felodipine","Crystal Growth & Design","2012","12","8","4022","","10.1021/cg300501u","","","0.71073","MoKα","","0.1282","0.0758","","","0.1712","0.1984","","","","","","1.025","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506483","20.323","0.002","8.0506","0.0008","21.694","0.002","90","","103.831","0.001","90","","3446.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C144 H96 F24 N12 O24 P12 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.0459","0.0344","","","0.092","0.1063","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506484","20.87","0.002","8.0774","0.0009","21.794","0.002","90","","104.595","0.002","90","","3555.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C144 H96 F24 N12 O24 P12 -","4","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.1083","0.0528","","","0.1359","0.1661","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506485","9.4435","0.0009","9.9248","0.001","18.6688","0.0019","103.683","0.001","96.009","0.001","91.803","0.001","1687.9","0.3","102","2","102","2","","","","","","","","6","P -1","-P 1","2","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C72 H48 F12 N6 O12 P6 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.0458","0.0387","","","0.0937","0.0978","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506486","9.5962","0.0016","10.0555","0.0017","18.91","0.003","103.575","0.002","97.097","0.002","93.1","0.002","1753.6","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C72 H48 F12 N6 O12 P6 -","2","1","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.0533","0.0439","","","0.112","0.1176","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506487","30.949","0.004","7.9159","0.0009","17.106","0.002","90","","122.82","0.002","90","","3521.8","0.7","253","2","253","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C144 H96 F24 N12 O24 P12 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.0994","0.055","","","0.1367","0.1621","","","","","","1.031","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506488","30.97","0.003","7.9375","0.0008","17.1585","0.0016","90","","122.88","0.001","90","","3542.3","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Hexa(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C144 H96 F24 N12 O24 P12 -","4","0.5","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.0919","0.0511","","","0.1291","0.1563","","","","","","0.989","","","","has coordinates,has disorder","179600","2020-10-21","18:00:00",""
"4506489","25.993","0.002","15.7837","0.0015","16.8365","0.0016","90","","90.213","0.001","90","","6907.4","1.1","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Hexakis(4-fluorophenoxy)cyclotriphosphazene","","","- C36 H24 F6 N3 O6 P3 -","- C36 H24 F6 N3 O6 P3 -","- C288 H192 F48 N24 O48 P24 -","8","2","","Wahl, Helene; Haynes, Delia A.; le Roex, Tanya","A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene","Crystal Growth & Design","2012","12","8","4031","","10.1021/cg300503p","","","0.71073","MoKα","","0.1238","0.0446","","","0.0756","0.0929","","","","","","0.825","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506490","9.9941","0.0005","18.104","0.0009","23.2479","0.0011","68.2","0.005","79.457","0.004","78.836","0.004","3803","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H72 N8 O16 Zn3 -","- C83 H70 N8 O16 Zn3 -","- C166 H140 N16 O32 Zn6 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71073","MoKα","","0.1222","0.0567","","","0.0818","0.1013","","","","","","0.993","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506491","9.1606","0.0008","9.5015","0.0006","14.7655","0.0008","81.07","0.005","74.801","0.006","67.517","0.007","1143.78","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 Cd N2 O6 -","- C26 H23 Cd N2 O6 -","- C52 H46 Cd2 N4 O12 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71073","MoKα","","0.0639","0.0453","","","0.0659","0.0735","","","","","","1.016","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506492","7.851","0.0003","21.599","0.0007","17.144","0.0007","90","","101.739","0.004","90","","2846.37","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N4 O6 Zn -","- C31 H28 N4 O6 Zn -","- C124 H112 N16 O24 Zn4 -","4","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.0754","0.0474","","","0.0946","0.1059","","","","","","1.028","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506493","7.4874","0.0003","22.1248","0.0008","17.3659","0.0007","90","","99.744","0.004","90","","2835.29","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Co N4 O6 -","- C31 H28 Co N4 O6 -","- C124 H112 Co4 N16 O24 -","4","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71073","MoKα","","0.0876","0.0593","","","0.1351","0.1512","","","","","","1.037","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506494","7.402","0.0003","21.926","0.0007","17.952","0.0009","90","","100.108","0.004","90","","2868.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cd N4 O6 -","- C31 H28 Cd N4 O6 -","- C124 H112 Cd4 N16 O24 -","4","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.077","0.0459","","","0.0803","0.0913","","","","","","1.049","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506495","7.188","0.004","22.296","0.0012","17.693","0.0013","90","","99.137","0.006","90","","2799.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 N4 Ni O6 -","- C31 H28 N4 Ni O6 -","- C124 H112 N16 Ni4 O24 -","4","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.097","0.0515","","","0.0791","0.0934","","","","","","0.999","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506496","10.157","0.0004","10.883","0.0005","13.384","0.0005","91.536","0.003","91.42","0.003","113.823","0.004","1351.88","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 N2 Ni O6 -","- C33 H24 N2 Ni O6 -","- C66 H48 N4 Ni2 O12 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.1288","0.06","","","0.0983","0.1144","","","","","","0.921","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506497","10.098","0.0007","10.829","0.0007","13.482","0.0008","91.499","0.005","91.277","0.005","113.806","0.007","1347.51","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Co N2 O6 -","- C33 H24 Co N2 O6 -","- C66 H48 Co2 N4 O12 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.1018","0.0556","","","0.0832","0.0983","","","","","","0.981","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506498","12.227","0.0004","15.141","0.0005","15.269","0.0004","84.13","0.003","87.014","0.003","78.248","0.003","2751.55","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H52 Co N4 O13 -","- C66 H46 Co N4 O13 -","- C132 H92 Co2 N8 O26 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.0631","0.0457","","","0.1137","0.1249","","","","","","0.98","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506499","8.633","0.0003","12.473","0.0005","13.809","0.0007","66.781","0.004","83.009","0.004","83.085","0.003","1352.07","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Cd N2 O6 -","- C33 H24 Cd N2 O6 -","- C66 H48 Cd2 N4 O12 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.0419","0.0324","","","0.0647","0.07","","","","","","1.03","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506500","8.828","0.0004","12.27","0.0007","13.288","0.0007","68.387","0.005","83.3","0.004","84.279","0.004","1326.51","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 Co N2 O6 -","- C33 H24 Co N2 O6 -","- C66 H48 Co2 N4 O12 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.0691","0.0452","","","0.0791","0.0882","","","","","","1.042","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506501","10.121","0.0005","12.14","0.0005","15.963","0.0007","91.406","0.003","103.997","0.004","109.971","0.004","1776.29","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H30 Cd N4 O5 -","- C45 H30 Cd N4 O5 -","- C90 H60 Cd2 N8 O10 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71069","MoKα","","0.0587","0.0417","","","0.0729","0.0801","","","","","","1.036","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506502","13.431","0.0007","7.031","0.0003","18.343","0.0008","90","","98.067","0.004","90","","1715.05","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 O5 Pb -","- C21 H14 O5 Pb -","- C84 H56 O20 Pb4 -","4","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71073","MoKα","","0.0562","0.0387","","","0.0674","0.0762","","","","","","1.009","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506503","10.419","0.0004","10.498","0.0004","13.893","0.0007","101.786","0.004","95.302","0.004","110.196","0.004","1373.97","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 N2 O6 Pb -","- C33 H22 N2 O6 Pb -","- C66 H44 N4 O12 Pb2 -","2","1","","Zhang, Ying; Yang, Jin; Yang, Yan; Guo, Jiao; Ma, Jian-Fang","Syntheses, Structures, and Luminescent Properties of a Series of Coordination Compounds Based on (4-Carboxylphenyl) (4-(2′-Carboxylphenyl)benzyl) Ether and Different N-Donor Ligands","Crystal Growth & Design","2012","12","8","4060","","10.1021/cg300540d","","","0.71073","MoKα","","0.0471","0.0394","","","0.0715","0.0782","","","","","","1.05","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506504","13.496","0.007","13.547","0.005","15.455","0.005","79.84","0.005","87.95","0.008","60.152","0.005","2407.9","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H38 Co2 N10 O8 -","- C52 H38 Co2 N10 O8 -","- C104 H76 Co4 N20 O16 -","2","1","","Yang, Qingxiang; Chen, Xingqiu; Cui, Jiehu; Hu, Jinsong; Zhang, Mingdao; Qin, Ling; Wang, Gaofeng; Lu, Qingyi; Zheng, Hegen","Metal‒Organic Frameworks Based on Flexible V-Shaped Polycarboxylate Acids: Hydrogen Bondings, Non-Interpenetrated and Polycatenated","Crystal Growth & Design","2012","12","8","4072","","10.1021/cg300541n","","","0.71073","MoKα","","0.1071","0.0919","","","0.248","0.2615","","","","","","1.073","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506505","10.3104","0.0005","10.6393","0.0005","12.5964","0.0007","88.131","0.001","74.914","0.001","86.047","0.001","1330.82","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Co N6 O5 -","- C28 H24 Co N6 O5 -","- C56 H48 Co2 N12 O10 -","2","1","","Yang, Qingxiang; Chen, Xingqiu; Cui, Jiehu; Hu, Jinsong; Zhang, Mingdao; Qin, Ling; Wang, Gaofeng; Lu, Qingyi; Zheng, Hegen","Metal‒Organic Frameworks Based on Flexible V-Shaped Polycarboxylate Acids: Hydrogen Bondings, Non-Interpenetrated and Polycatenated","Crystal Growth & Design","2012","12","8","4072","","10.1021/cg300541n","","","0.71073","MoKα","","0.049","0.0354","","","0.0791","0.0835","","","","","","0.948","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506506","9.919","0.0008","31.53","0.002","9.918","0.0008","90","","118.97","","90","","2713.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Co N5 O6 -","- C32 H27 Co N5 O6 -","- C128 H108 Co4 N20 O24 -","4","1","","Yang, Qingxiang; Chen, Xingqiu; Cui, Jiehu; Hu, Jinsong; Zhang, Mingdao; Qin, Ling; Wang, Gaofeng; Lu, Qingyi; Zheng, Hegen","Metal‒Organic Frameworks Based on Flexible V-Shaped Polycarboxylate Acids: Hydrogen Bondings, Non-Interpenetrated and Polycatenated","Crystal Growth & Design","2012","12","8","4072","","10.1021/cg300541n","","","0.71073","MoKα","","0.0927","0.053","","","0.0758","0.085","","","","","","0.919","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506507","9.842","0.002","10.237","0.003","15.175","0.004","72.892","0.004","84.194","0.004","63.756","0.004","1309.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 Cd N5 O4 -","- C32 H23 Cd N5 O4 -","- C64 H46 Cd2 N10 O8 -","2","1","","Yang, Qingxiang; Chen, Xingqiu; Cui, Jiehu; Hu, Jinsong; Zhang, Mingdao; Qin, Ling; Wang, Gaofeng; Lu, Qingyi; Zheng, Hegen","Metal‒Organic Frameworks Based on Flexible V-Shaped Polycarboxylate Acids: Hydrogen Bondings, Non-Interpenetrated and Polycatenated","Crystal Growth & Design","2012","12","8","4072","","10.1021/cg300541n","","","0.71073","MoKα","","0.0601","0.0512","","","0.1302","0.1339","","","","","","0.983","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506508","9.8322","0.0017","10.2287","0.0017","15.171","0.003","72.934","0.002","84.297","0.003","63.824","0.002","1308.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 N5 O4 Zn -","- C32 H23 N5 O4 Zn -","- C64 H46 N10 O8 Zn2 -","2","1","","Yang, Qingxiang; Chen, Xingqiu; Cui, Jiehu; Hu, Jinsong; Zhang, Mingdao; Qin, Ling; Wang, Gaofeng; Lu, Qingyi; Zheng, Hegen","Metal‒Organic Frameworks Based on Flexible V-Shaped Polycarboxylate Acids: Hydrogen Bondings, Non-Interpenetrated and Polycatenated","Crystal Growth & Design","2012","12","8","4072","","10.1021/cg300541n","","","0.71073","MoKα","","0.0705","0.0663","","","0.2016","0.204","","","","","","1.05","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506509","28.978","0.006","11.392","0.002","21.953","0.004","90","","130.38","0.03","90","","5521","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Cd N4 O7 -","- C28 H30 Cd N4 O7 -","- C224 H240 Cd8 N32 O56 -","8","1","","Wen, Lili; Ke, Xiaohuan; Qiu, Ling; Zou, Yang; Zhou, Li; Zhao, Jinbo; Li, Dongfeng","Assembly of Two Porous Cadmium(II) Frameworks: Selective Adsorption and Luminescent Property","Crystal Growth & Design","2012","12","8","4083","","10.1021/cg300566x","","","0.71073","MoKα","","0.1026","0.0862","","","0.1297","0.1361","","","","","","1.221","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506510","39.57","0.007","14.85","0.003","15.684","0.003","90","","96.219","0.003","90","","9162","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H42 Cd N8 O6 -","- C50 H42 Cd N8 O6 -","- C400 H336 Cd8 N64 O48 -","8","1","","Wen, Lili; Ke, Xiaohuan; Qiu, Ling; Zou, Yang; Zhou, Li; Zhao, Jinbo; Li, Dongfeng","Assembly of Two Porous Cadmium(II) Frameworks: Selective Adsorption and Luminescent Property","Crystal Growth & Design","2012","12","8","4083","","10.1021/cg300566x","","","0.71073","MoKα","","0.0795","0.0727","","","0.203","0.2105","","","","","","1.072","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506511","5.2406","0.0003","10.0477","0.0006","12.6006","0.0007","90","","95.678","0.004","90","","660.24","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C28 H28 N4 O8 -","2","1","","Zhang, Si-Wei; Guzei, Ilia A.; de Villiers, Melgardt M.; Yu, Lian; Krzyzaniak, Joseph F.","Formation Enthalpies and Polymorphs of Nicotinamide‒R-Mandelic Acid Co-Crystals","Crystal Growth & Design","2012","12","8","4090","","10.1021/cg3005757","","","1.54178","CuKα","","0.0472","0.043","","","0.1138","0.1174","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506512","7.8733","0.00001","10.1432","0.00001","13.528","","68.355","0.012","79.645","0.016","70.702","0.014","945.69","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Cd3 N2 O16 -","- C36 H32 Cd3 N2 O16 -","- C36 H32 Cd3 N2 O16 -","1","0.5","","Li, Lina; Wang, Shuyun; Chen, Tianliang; Sun, Zhihua; Luo, Junhua; Hong, Maochun","Solvent-Dependent Formation of Cd(II) Coordination Polymers Based on aC2-Symmetric Tricarboxylate Linker","Crystal Growth & Design","2012","12","8","4109","","10.1021/cg300617h","","","0.71073","MoKα","","0.0724","0.0668","","","0.1735","0.1757","","","","","","1.21","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506513","19.9999","0.0017","10.0714","0.0006","18.942","0.0017","90","","101.196","0.006","90","","3742.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cd1.5 N O7 -","- C19 H16 Cd1.5 N O7 -","- C152 H128 Cd12 N8 O56 -","8","1","","Li, Lina; Wang, Shuyun; Chen, Tianliang; Sun, Zhihua; Luo, Junhua; Hong, Maochun","Solvent-Dependent Formation of Cd(II) Coordination Polymers Based on aC2-Symmetric Tricarboxylate Linker","Crystal Growth & Design","2012","12","8","4109","","10.1021/cg300617h","","","0.71073","MoKα","","0.068","0.0523","","","0.1453","0.1619","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506514","13.5962","0.0013","18.848","0.002","7.7355","0.0008","90","","96.832","0.009","90","","1968.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cd N O8 -","- C19 H17 Cd N O8 -","- C76 H68 Cd4 N4 O32 -","4","1","","Li, Lina; Wang, Shuyun; Chen, Tianliang; Sun, Zhihua; Luo, Junhua; Hong, Maochun","Solvent-Dependent Formation of Cd(II) Coordination Polymers Based on aC2-Symmetric Tricarboxylate Linker","Crystal Growth & Design","2012","12","8","4109","","10.1021/cg300617h","","","0.71073","MoKα","","0.0883","0.0632","","","0.1867","0.245","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506515","7.5799","0.0015","9.4213","0.0019","21.537","0.004","90","","90","","90","","1538","0.5","183","2","183","2","","","","","","","Synthesised by authors, see manuscript","5","P 21 21 21","P 2ac 2ab","19","aquabis(L-isoleucinato)copper(II)","cis aquabis(L-isoleucinato-N,O)copper(II)","","- C12 H26 Cu N2 O5 -","- C12 H26 Cu N2 O5 -","- C48 H104 Cu4 N8 O20 -","4","1","","Marković, Marijana; Milić, Dalibor; Sabolović, Jasmina","Modeling Triple Conformational Disorder in a New Crystal Polymorph ofcis-Aquabis(l-isoleucinato)copper(II)","Crystal Growth & Design","2012","12","8","4116","","10.1021/cg300636w","","","0.71073","MoKα","","0.0301","0.0221","","","0.0529","0.0541","","","","","","0.997","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506516","23.2551","0.0014","9.4928","0.0004","7.5418","0.0004","90","","107.56","0.006","90","","1587.32","0.15","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","cis aquabis(L-isoleucinato-N,O)copper(II)","","- C12 H26 Cu N2 O5 -","- C11.995 H25.988 Cu N2 O5 -","- C47.98 H103.952 Cu4 N8 O20 -","4","1","","Marković, Marijana; Milić, Dalibor; Sabolović, Jasmina","Modeling Triple Conformational Disorder in a New Crystal Polymorph ofcis-Aquabis(l-isoleucinato)copper(II)","Crystal Growth & Design","2012","12","8","4116","","10.1021/cg300636w","","","0.71073","MoKα","","0.0347","0.0308","","","0.0785","0.0812","","","","","","1.034","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506517","22.5755","0.0005","9.44266","0.00017","7.46733","0.00015","90","","106.25","0.002","90","","1528.24","0.06","120","1","120","1","","","","","","","","5","C 1 2 1","C 2y","5","","cis aquabis(L-isoleucinato-N,O)copper(II)","","- C12 H26 Cu N2 O5 -","- C12 H26 Cu N2 O5 -","- C48 H104 Cu4 N8 O20 -","4","1","","Marković, Marijana; Milić, Dalibor; Sabolović, Jasmina","Modeling Triple Conformational Disorder in a New Crystal Polymorph ofcis-Aquabis(l-isoleucinato)copper(II)","Crystal Growth & Design","2012","12","8","4116","","10.1021/cg300636w","","","0.71073","MoKα","","0.033","0.0303","","","0.0717","0.0738","","","","","","1.023","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506518","13.55","0.02","10.455","0.017","14","0.02","90","","91.81","0.04","90","","1982","5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N6 O4 -","- C18 H18 N6 O4 -","- C72 H72 N24 O16 -","4","1","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation","Crystal Growth & Design","2012","12","8","4135","","10.1021/cg300649e","","","0.71073","MoKα","","0.0842","0.0673","","","0.1805","0.1961","","","","","","1.048","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506519","6.5115","0.0013","19.407","0.003","9.7353","0.0017","90","","97.436","0.011","90","","1219.9","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 Cu N6 O10 S -","- C18 H16 Cu N6 O10 S -","- C36 H32 Cu2 N12 O20 S2 -","2","1","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation","Crystal Growth & Design","2012","12","8","4135","","10.1021/cg300649e","","","0.71073","MoKα","","0.0698","0.0642","","","0.1551","0.1595","","","","","","1.022","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506520","23.341","0.002","10.2257","0.0009","19.3694","0.0018","90","","118.396","0.002","90","","4066.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 Cu F2 N12 O10 -","- C36 H40 Cu F2 N12 O10 -","- C144 H160 Cu4 F8 N48 O40 -","4","0.5","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation","Crystal Growth & Design","2012","12","8","4135","","10.1021/cg300649e","","","0.71073","MoKα","","0.0748","0.0651","","","0.1477","0.1528","","","","","","1.172","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506521","22.6201","0.0014","9.1958","0.0006","21.2862","0.0014","90","","118.149","0.001","90","","3904","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Cl2 Cu N12 O8 -","- C36 H33 Cl2 Cu N12 O8 -","- C144 H132 Cl8 Cu4 N48 O32 -","4","0.5","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation","Crystal Growth & Design","2012","12","8","4135","","10.1021/cg300649e","","","0.71073","MoKα","","0.0647","0.0478","","","0.1515","0.1657","","","","","","1.156","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506522","22.625","0.005","9.293","0.002","21.596","0.007","90","","118.573","0.003","90","","3987.6","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H33 Br2 Cu N12 O8 -","- C36 H33 Br2 Cu N12 O8 -","- C144 H132 Br8 Cu4 N48 O32 -","4","0.5","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation","Crystal Growth & Design","2012","12","8","4135","","10.1021/cg300649e","","","0.71073","MoKα","","0.0936","0.061","","","0.1689","0.2051","","","","","","0.757","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506523","10.729","0.002","10.729","0.002","20.633","0.009","90","","90","","90","","2375.1","1.2","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H72 Br8 N2 Zn -","- C33 H72 Br8 N2 Zn -","- C66 H144 Br16 N4 Zn2 -","2","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0282","0.0235","","","0.0486","0.0497","","","","","","0.98","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506524","10.7332","0.0011","10.7332","0.0011","20.613","0.004","90","","90","","90","","2374.7","0.6","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H72 Br8 Co N2 -","- C33 H72 Br8 Co N2 -","- C66 H144 Br16 Co2 N4 -","2","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0625","0.042","","","0.0796","0.0869","","","","","","0.995","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506525","10.8409","0.0018","10.8409","0.0018","20.596","0.007","90","","90","","90","","2420.5","1","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C33 H72 Br8 Cd N2 -","- C33 H72 Br8 Cd N2 -","- C66 H144 Br16 Cd2 N4 -","2","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0539","0.0402","","","0.0718","0.0751","","","","","","0.954","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506526","15.0828","0.0003","15.0828","0.0003","24.7518","0.0006","90","","90","","90","","5630.8","0.2","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C38 H72 Br8 F12 N2 Zn -","- C38 H72 Br8 F12 N2 Zn -","- C152 H288 Br32 F48 N8 Zn4 -","4","0.25","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.1018","0.0507","","","0.114","0.1422","","","","","","1.096","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506527","10.389","0.002","15.535","0.003","17.856","0.004","90","","101.447","0.005","90","","2824.5","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 Br7 N Pt -","- C17 H36 Br7 N Pt -","- C68 H144 Br28 N4 Pt4 -","4","1","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0819","0.0482","","","0.1221","0.1362","","","","","","1.043","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506528","10.466","0.002","13.532","0.003","16.404","0.004","90","","108.214","0.004","90","","2206.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H29 Br5 Cu N -","- C13 H29 Br5 Cu N -","- C52 H116 Br20 Cu4 N4 -","4","1","","Rosokha, Sergiy V.; Vinakos, Michael K.","Hybrid Network Formation via Halogen Bonding of the Neutral Bromo-Substituted Organic Molecules with Anionic Metal‒Bromide Complexes","Crystal Growth & Design","2012","12","8","4149","","10.1021/cg300654e","","","0.71073","MoKα","","0.0845","0.0485","","","0.107","0.1226","","","","","","0.985","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506529","15.163","0.003","11.876","0.002","18.546","0.004","90","","90","","90","","3339.7","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H25 F6 N2 P -","- C12 H25 F6 N2 P -","- C96 H200 F48 N16 P8 -","8","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.1427","0.064","","","0.1535","0.1961","","","","","","1.016","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506530","8.626","0.0005","14.422","0.0007","14.698","0.0007","90","","90.573","0.002","90","","1828.4","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H29 F6 N2 P -","- C14 H29 F6 N2 P -","- C56 H116 F24 N8 P4 -","4","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.1026","0.0657","","","0.14","0.166","","","","","","1.113","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506531","7.902","0.0003","6.912","0.0004","37.353","0.0019","90","","90","","90","","2040.17","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H33 F6 N2 P -","- C16 H33 F6 N2 P -","- C64 H132 F24 N8 P4 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.1146","0.073","","","0.1982","0.2375","","","","","","1.071","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506532","6.9392","0.0003","7.9029","0.0004","47.448","0.002","90","","90","","90","","2602","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H45 F6 N2 P -","- C22 H45 F6 N2 P -","- C88 H180 F24 N8 P4 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0976","0.0652","","","0.1737","0.2014","","","","","","1.117","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506533","9.4933","0.0003","8.1792","0.0002","13.4645","0.0004","90","","109.156","0.002","90","","987.6","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 I2 N2 -","- C6 H12 I2 N2 -","- C24 H48 I8 N8 -","4","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.0291","0.0237","","","0.046","0.0474","","","","","","1.079","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506534","10.5581","0.0003","8.8016","0.0002","15.1947","0.0003","90","","90","","90","","1412.02","0.06","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H13 Cl3 I2 N2 -","- C7 H13 Cl3 I2 N2 -","- C28 H52 Cl12 I8 N8 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.0367","0.0265","","","0.0463","0.0488","","","","","","1.032","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506535","13.4915","0.0005","39.8655","0.0017","6.4622","0.0002","90","","107.925","0.002","90","","3307","0.2","123","2","123","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H12 I4 N2 -","- C6 H12 I4 N2 -","- C60 H120 I40 N20 -","10","2.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.0627","0.0424","","","0.0912","0.1004","","","","","","1.044","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506536","17.564","0.0007","8.4479","0.0004","13.0119","0.0005","90","","90","","90","","1930.69","0.14","123","2","123","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H25 F6 I2 N2 P -","- C12 H25 F6 I2 N2 P -","- C48 H100 F24 I8 N8 P4 -","4","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0543","0.0488","","","0.1027","0.1048","","","","","","1.179","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506537","9.9339","0.0006","8.5824","0.0006","26.369","0.0015","90","","104.98","0.004","90","","2171.7","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H29 F6 I2 N2 P -","- C14 H29 F6 I2 N2 P -","- C56 H116 F24 I8 N8 P4 -","4","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.1632","0.0679","","","0.0988","0.1259","","","","","","1.047","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506538","9.9961","0.00029","8.762","0.00029","13.6435","0.0005","90","0.005","108.112","0.005","90","0.005","1135.77","0.07","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H29 F6 I2 N2 P -","- C14 H29 F6 I2 N2 P -","- C28 H58 F12 I4 N4 P2 -","2","0.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0916","0.0488","","","0.1123","0.1334","","","","","","1.023","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506539","7.28","0.0004","7.775","0.0005","20.867","0.0011","99.297","0.003","95.362","0.004","91.801","0.004","1159.2","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H33 F6 I2 N2 P -","- C16 H33 F6 I2 N2 P -","- C32 H66 F12 I4 N4 P2 -","2","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0607","0.0489","","","0.1321","0.1485","","","","","","1.156","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506540","7.265","0.0002","7.767","0.0003","22.458","0.0006","80.302","0.002","89.118","0.002","88.207","0.002","1248.46","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H37 F6 I2 N2 P -","- C18 H37 F6 I2 N2 P -","- C36 H74 F12 I4 N4 P2 -","2","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0422","0.0322","","","0.0642","0.0778","","","","","","1.186","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506541","7.3","0.0002","7.759","0.0003","23.936","0.0009","97.593","0.002","93.512","0.002","91.793","0.002","1340.28","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H41 F6 I2 N2 P -","- C20 H41 F6 I2 N2 P -","- C40 H82 F12 I4 N4 P2 -","2","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0548","0.0387","","","0.0753","0.0917","","","","","","1.075","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506542","7.2822","0.0007","7.7561","0.0007","25.708","0.003","95.617","0.003","97.403","0.003","91.763","0.004","1431.6","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H45 F6 I2 N2 P -","- C22 H45 F6 I2 N2 P -","- C44 H90 F12 I4 N4 P2 -","2","1","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71069","MoKα","","0.0572","0.0527","","","0.1428","0.1469","","","","","","1.1","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506543","11.1267","0.0006","12.8597","0.0007","21.0138","0.0014","90","","119.836","0.004","90","","2608.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 N10 O24 Zn3 -","- C38 H60 N10 O24 Zn3 -","- C76 H120 N20 O48 Zn6 -","2","0.5","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.1104","0.0622","","","0.1004","0.1156","","","","","","1","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506544","10.715","0.002","12.993","0.003","20.374","0.004","107.23","0.03","91.26","0.03","110.36","0.03","2515","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 N6 O27 S4 Zn3 -","- C32 H50 N6 O27 S4 Zn3 -","- C64 H100 N12 O54 S8 Zn6 -","2","1","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.1078","0.0706","","","0.1686","0.1987","","","","","","1.003","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506545","11.875","0.002","5.0074","0.001","30.424","0.008","90","","111.91","0.03","90","","1678.4","0.7","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H18 N3 Na O12 Zn -","- C12 H12 N3 Na O12 Zn -","- C48 H48 N12 Na4 O48 Zn4 -","4","1","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.0691","0.0595","","","0.1882","0.2085","","","","","","1.069","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506546","5.5807","0.0011","13.793","0.003","24.064","0.005","90","","95.91","0.03","90","","1842.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N6 O26 Zn5 -","- C24 H24 N6 O26 Zn5 -","- C48 H48 N12 O52 Zn10 -","2","0.5","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.0705","0.0538","","","0.1338","0.158","","","","","","1.037","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506547","25.826","0.005","7.7641","0.0016","36.021","0.011","90","","132.767","0.018","90","","5302","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 N10 O24 Zn3 -","- C48 H42 N10 O24 Zn3 -","- C192 H168 N40 O96 Zn12 -","4","1","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.1474","0.0964","","","0.2892","0.3553","","","","","","1.099","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506548","12.618","0.003","12.927","0.003","13.012","0.003","78.3","0.03","62.22","0.03","62.07","0.03","1658.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 N18 O26 Zn3 -","- C48 H50 N18 O26 Zn3 -","- C48 H50 N18 O26 Zn3 -","1","0.5","","Li, Huijun; Zhao, Bei; Ding, Ran; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Structural Diversity for a Series of Novel Zn Metal‒Organic Frameworks Based on Different Secondary Building Units","Crystal Growth & Design","2012","12","8","4170","","10.1021/cg3006794","","","0.71073","MoKα","","0.0839","0.0751","","","0.2311","0.2417","","","","","","1.085","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506549","12.341","0.003","25.96","0.005","13.67","0.003","90","","98.81","0.03","90","","4327.8","1.7","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H102 Co3 N8 O20 -","- C86 H102 Co3 N8 O20 -","- C172 H204 Co6 N16 O40 -","2","0.5","","Kim, Dongwook; Song, Xiaokai; Yoon, Jung Hee; Lah, Myoung Soo","3,6-Connected Metal‒Organic Frameworks Based on Triscarboxylate as a 3-Connected Organic Node and a Linear Trinuclear Co3(COO)6Secondary Building Unit as a 6-Connected Node","Crystal Growth & Design","2012","12","8","4186","","10.1021/cg300686n","","","0.71073","MoKα","","0.0912","0.0433","","","0.0829","0.1099","","","","","","1.082","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506550","25.472","0.004","25.472","0.004","13.143","0.003","90","","90","","120","","7385","2","173","2","173","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C62 H48 Co3 N2 O14 -","- C62 H48 Co3 N2 O14 -","- C186 H144 Co9 N6 O42 -","3","0.5","","Kim, Dongwook; Song, Xiaokai; Yoon, Jung Hee; Lah, Myoung Soo","3,6-Connected Metal‒Organic Frameworks Based on Triscarboxylate as a 3-Connected Organic Node and a Linear Trinuclear Co3(COO)6Secondary Building Unit as a 6-Connected Node","Crystal Growth & Design","2012","12","8","4186","","10.1021/cg300686n","","","0.71073","MoKα","","0.0872","0.08","","","0.2238","0.2319","","","","","","1.024","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506551","36.15","0.003","5.3476","0.0004","7.3795","0.0005","90","","90","","90","","1426.57","0.19","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C27 H24 Ag3 N7 S2 -","- C27 H24 Ag3 N7 S2 -","- C54 H48 Ag6 N14 S4 -","2","0.5","","Lee, Eunji; Seo, Joobeom; Lee, Shim Sung; Park, Ki-Min","A Triple-Stranded Ladder-Type Coordination Polymer","Crystal Growth & Design","2012","12","8","3834","","10.1021/cg300692y","","","0.71073","MoKα","","0.0639","0.0374","","","0.0756","0.0939","","","","","","1.023","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506552","8.1645","0.0008","8.2253","0.0008","12.3145","0.0012","83.306","0.002","80.59","0.002","63.071","0.002","726.54","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Ag N3 S2 -","- C13 H12 Ag N3 S2 -","- C26 H24 Ag2 N6 S4 -","2","1","","Lee, Eunji; Seo, Joobeom; Lee, Shim Sung; Park, Ki-Min","A Triple-Stranded Ladder-Type Coordination Polymer","Crystal Growth & Design","2012","12","8","3834","","10.1021/cg300692y","","","0.71073","MoKα","","0.0357","0.0274","","","0.0647","0.0695","","","","","","1.025","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506553","14.0961","0.0012","12.5984","0.001","27.219","0.002","90","","97.396","0.002","90","","4793.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H64 N10 O7 S2 -","- C45 H64 N10 O7 S2 -","- C180 H256 N40 O28 S8 -","4","1","","Clarke, Heather D.; Hickey, Magali B.; Moulton, Brian; Perman, Jason A.; Peterson, Matthew L.; Wojtas, Łukasz; Almarsson, Örn; Zaworotko, Michael J.","Crystal Engineering of Isostructural Quaternary Multicomponent Crystal Forms of Olanzapine","Crystal Growth & Design","2012","12","8","4194","","10.1021/cg3007052","","","0.71073","MoKα","","0.1182","0.0669","","","0.1417","0.1642","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506554","14.1966","0.0007","12.5375","0.0006","27.4599","0.0015","90","","96.579","0.003","90","","4855.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H65 N9 O8 S2 -","- C46 H65 N9 O8 S2 -","- C184 H260 N36 O32 S8 -","4","1","","Clarke, Heather D.; Hickey, Magali B.; Moulton, Brian; Perman, Jason A.; Peterson, Matthew L.; Wojtas, Łukasz; Almarsson, Örn; Zaworotko, Michael J.","Crystal Engineering of Isostructural Quaternary Multicomponent Crystal Forms of Olanzapine","Crystal Growth & Design","2012","12","8","4194","","10.1021/cg3007052","","","1.54178","CuKα","","0.1091","0.0684","","","0.1831","0.2116","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506555","37.41","0.004","5.355","0.001","18.535","0.003","90","","109.97","0.01","90","","3489.9","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","oxcarbazepine-succinic acid-chloroform cocrystal solvate","","","- C35 H31 Cl3 N4 O8 -","- C35 H31 Cl3 N4 O8 -","- C140 H124 Cl12 N16 O32 -","4","0.5","","Chadha, Renu; Saini, Anupam; Jain, Dharamvir S.; Venugopalan, P.","Preparation and Solid-State Characterization of Three Novel Multicomponent Solid Forms of Oxcarbazepine: Improvement in Solubility through Saccharin Cocrystal","Crystal Growth & Design","2012","12","8","4211","","10.1021/cg3007102","","","0.71073","MoKα","","0.1068","0.0647","","","0.1653","0.1869","","","","","","1.048","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506556","28.302","0.006","7.0921","0.0014","16.752","0.003","90","","125.03","0.03","90","","2753.4","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl N3 O8 Pr -","- C11 H5 Cl N3 O8 Pr -","- C88 H40 Cl8 N24 O64 Pr8 -","8","1","","Jing, Xuemin; Zhou, Xiaoying; Zhao, Tingting; Huo, Qisheng; Liu, Yunling","Construction of Lanthanide‒Organic Frameworks from 2-(pyridine-3-yl)-1H-4,5-imidazoledicarboxylate and Oxalate","Crystal Growth & Design","2012","12","8","4225","","10.1021/cg300719z","","","0.71073","MoKα","","0.0412","0.0378","","","0.1069","0.1094","","","","","","1.026","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506557","28.038","0.006","7.008","0.0014","16.563","0.003","90","","125.2","0.03","90","","2659.4","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl N3 Nd O8 -","- C11 H5 Cl N3 Nd O8 -","- C88 H40 Cl8 N24 Nd8 O64 -","8","1","","Jing, Xuemin; Zhou, Xiaoying; Zhao, Tingting; Huo, Qisheng; Liu, Yunling","Construction of Lanthanide‒Organic Frameworks from 2-(pyridine-3-yl)-1H-4,5-imidazoledicarboxylate and Oxalate","Crystal Growth & Design","2012","12","8","4225","","10.1021/cg300719z","","","0.71073","MoKα","","0.0477","0.0468","","","0.1372","0.1381","","","","","","1.124","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506558","28.229","0.006","7.0072","0.0014","16.661","0.003","90","","125.17","0.03","90","","2694","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl N3 O8 Sm -","- C11 H5 Cl N3 O8 Sm -","- C88 H40 Cl8 N24 O64 Sm8 -","8","1","","Jing, Xuemin; Zhou, Xiaoying; Zhao, Tingting; Huo, Qisheng; Liu, Yunling","Construction of Lanthanide‒Organic Frameworks from 2-(pyridine-3-yl)-1H-4,5-imidazoledicarboxylate and Oxalate","Crystal Growth & Design","2012","12","8","4225","","10.1021/cg300719z","","","0.71073","MoKα","","0.0577","0.0563","","","0.1469","0.148","","","","","","1.07","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506559","5.859","0.0005","46.95","0.004","8.1829","0.0009","90","0.007","94.077","0.007","90","0.007","2245.3","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","(EDT-TTF-I)(TCNQF4)","","","- C20 H5 F4 I N4 S6 -","- C20 H5 F4 I N4 S6 -","- C80 H20 F16 I4 N16 S24 -","4","2","","Lieffrig, Julien; Jeannin, Olivier; Guizouarn, Thierry; Auban-Senzier, Pascale; Fourmigué, Marc","Competition between the C‒H···N Hydrogen Bond and C‒I···N Halogen Bond in TCNQFn(n= 0, 2, 4) Salts with Variable Charge Transfer","Crystal Growth & Design","2012","12","8","4248","","10.1021/cg3007519","","","0.71073","MoKα","","0.053","0.0396","","","0.0849","0.0936","","","","","","1.007","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506560","6.712","0.0013","7.815","0.0016","17.686","0.004","91.79","0.03","99.44","0.03","105","0.03","881.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(EDT-TTF-I)2(TCNQF2)","","","- C14 H6 F I N2 S6 -","- C14 H6 F I N2 S6 -","- C28 H12 F2 I2 N4 S12 -","2","1","","Lieffrig, Julien; Jeannin, Olivier; Guizouarn, Thierry; Auban-Senzier, Pascale; Fourmigué, Marc","Competition between the C‒H···N Hydrogen Bond and C‒I···N Halogen Bond in TCNQFn(n= 0, 2, 4) Salts with Variable Charge Transfer","Crystal Growth & Design","2012","12","8","4248","","10.1021/cg3007519","","","0.71073","MoKα","","0.0868","0.0526","","","0.1089","0.1214","","","","","","1.104","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506561","22.784","0.005","6.6158","0.0013","14.989","0.003","90","","94.86","0.03","90","","2251.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(EDT-TTF-I)(TCNQ)","","","- C20 H9 I N4 S6 -","- C20 H9 I N4 S6 -","- C80 H36 I4 N16 S24 -","4","1","","Lieffrig, Julien; Jeannin, Olivier; Guizouarn, Thierry; Auban-Senzier, Pascale; Fourmigué, Marc","Competition between the C‒H···N Hydrogen Bond and C‒I···N Halogen Bond in TCNQFn(n= 0, 2, 4) Salts with Variable Charge Transfer","Crystal Growth & Design","2012","12","8","4248","","10.1021/cg3007519","","","0.71073","MoKα","","0.0695","0.0486","","","0.101","0.1078","","","","","","1.177","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506562","8.2393","0.0005","8.4412","0.0005","12.7149","0.0008","81.295","0.002","82.515","0.002","80.488","0.002","857.07","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTF-I)2(TCNQ)","","","- C28 H14 I2 N4 S12 -","- C28 H14 I2 N4 S12 -","- C28 H14 I2 N4 S12 -","1","0.5","","Lieffrig, Julien; Jeannin, Olivier; Guizouarn, Thierry; Auban-Senzier, Pascale; Fourmigué, Marc","Competition between the C‒H···N Hydrogen Bond and C‒I···N Halogen Bond in TCNQFn(n= 0, 2, 4) Salts with Variable Charge Transfer","Crystal Growth & Design","2012","12","8","4248","","10.1021/cg3007519","","","0.71073","MoKα","","0.0294","0.0254","","","0.061","0.0645","","","","","","1.054","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506563","16.528","0.003","8.6531","0.0014","18.604","0.003","90","","104.03","0.005","90","","2581.3","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Br2 Cu3 N8 O15 -","- C48 H36 Br2 Cu3 N8 O15 -","- C96 H72 Br4 Cu6 N16 O30 -","2","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.0914","0.0517","","","0.1351","0.1517","","","","","","0.93","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506564","20.984","0.003","21.858","0.003","20.929","0.003","90","","111.872","0.005","90","","8908","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H38 Br3 Cu3 N8 O6 -","- C45 H34 Br3 Cu3 N8 O6 -","- C360 H272 Br24 Cu24 N64 O48 -","8","1","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.1406","0.0606","","","0.1519","0.1774","","","","","","0.932","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506565","12.353","0.003","10.952","0.002","19.413","0.004","90","","102.469","0.006","90","","2564.4","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C56 H42 Br2 Cu3 N8 O10 -","- C56 H38 Br2 Cu3 N8 O10 -","- C112 H76 Br4 Cu6 N16 O20 -","2","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.0456","0.0336","","","0.1008","0.1095","","","","","","0.831","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506566","8.6674","0.0008","10.805","0.0011","21.815","0.002","90","","99.205","0.003","90","","2016.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br2 Cu N4 O2 -","- C20 H14 Br2 Cu N4 O2 -","- C80 H56 Br8 Cu4 N16 O8 -","4","1","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.0503","0.0367","","","0.1144","0.1229","","","","","","0.916","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506567","8.7967","0.0017","13.421","0.003","20.615","0.004","90","","92.277","0.006","90","","2431.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 N4 Ni O5 -","- C28 H18 N4 Ni O5 -","- C112 H72 N16 Ni4 O20 -","4","1","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.0661","0.0403","","","0.1141","0.1293","","","","","","0.865","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506568","8.841","0.004","10.104","0.005","14.995","0.007","99.322","0.015","90.675","0.016","108.535","0.014","1250.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Co2 N8 O14 -","- C56 H36 Co2 N8 O14 -","- C56 H36 Co2 N8 O14 -","1","0.5","","Banerjee, Kaustuv; Biradha, Kumar","Design and Synthesis of Mixed Valent Coordination Networks Containing Pyridine Appended Terpyridyl, Halide, and Dicarboxylates","Crystal Growth & Design","2012","12","8","4264","","10.1021/cg300770b","","","0.71073","MoKα","","0.1659","0.0906","","","0.1885","0.2165","","","","","","1.001","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506569","19.533","0.002","8.3503","0.0009","19.621","0.002","90","","90","","90","","3200.3","0.6","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H26 Fe N10 O -","- C36 H26 Fe N10 O -","- C144 H104 Fe4 N40 O4 -","4","0.5","","Zhang, Xiu-Tang; Sun, Di; Li, Bao; Fan, Li-Ming; Li, Bin; Wei, Pei-Hai","Unusual High Thermal Stablility of a 2D →3D Polycatenated Fe(II) Metal‒Organic Framework Showing Guest-Dependent Spin-Crossover Behavior and High Spin-Transition Temperature","Crystal Growth & Design","2012","12","8","3845","","10.1021/cg3007876","","","0.71073","MoKα","","0.0671","0.0548","","","0.1468","0.1572","","","","","","1.082","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506570","13.759","0.002","9.2339","0.0014","12.446","0.002","90","","100.83","0.004","90","","1553.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N2 O2 P2 -","- C36 H34 N2 O2 P2 -","- C72 H68 N4 O4 P4 -","2","0.5","","Nasser, Nasser; Puddephatt, Richard J.","A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures","Crystal Growth & Design","2012","12","8","4275","","10.1021/cg300798p","","","0.71073","MoKα","","0.114","0.0601","","","0.1462","0.1739","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506571","8.9376","0.0004","11.005","0.0004","20.1043","0.0008","92.454","0.002","99.465","0.002","94.712","0.002","1940.72","0.14","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H40 Au2 Cl2 N2 O3 P2 S -","- C38 H40 Au2 Cl2 N2 O3 P2 S -","- C76 H80 Au4 Cl4 N4 O6 P4 S2 -","2","1","","Nasser, Nasser; Puddephatt, Richard J.","A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures","Crystal Growth & Design","2012","12","8","4275","","10.1021/cg300798p","","","0.71073","MoKα","","0.0873","0.0433","","","0.0806","0.0956","","","","","","1.001","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506572","9.5496","0.0011","11.4242","0.0013","12.152","0.0013","111.78","0.003","105.439","0.002","93.347","0.003","1168.2","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H17 Ag F3 N O3 P -","- C20 H17 Ag F3 N O3 P -","- C40 H34 Ag2 F6 N2 O6 P2 -","2","1","","Nasser, Nasser; Puddephatt, Richard J.","A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures","Crystal Growth & Design","2012","12","8","4275","","10.1021/cg300798p","","","0.71073","MoKα","","0.0641","0.0403","","","0.0766","0.0816","","","","","","0.928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506573","8.0763","0.0002","19.9989","0.0004","27.302","0.0006","90","","90","","90","","4409.74","0.17","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H36 Ag2 F6 N2 O10 P2 S2 -","- C38 H36 Ag2 F6 N2 O10 P2 S2 -","- C152 H144 Ag8 F24 N8 O40 P8 S8 -","4","0.5","","Nasser, Nasser; Puddephatt, Richard J.","A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures","Crystal Growth & Design","2012","12","8","4275","","10.1021/cg300798p","","","0.71073","MoKα","","0.0687","0.0536","","","0.1487","0.1632","","","","","","1.033","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506574","8.5642","0.001","12.1117","0.0015","14.031","0.002","109.464","0.004","101.095","0.004","105.262","0.003","1259.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Cl12 N2 O4 P2 -","- C40 H38 Cl12 N2 O4 P2 -","- C40 H38 Cl12 N2 O4 P2 -","1","0.5","","Nasser, Nasser; Puddephatt, Richard J.","A Diphosphine Ligand with Amide Functionality and Its Complexes with Gold(I) and Silver(I): Self-Assembly of Sheet Structures","Crystal Growth & Design","2012","12","8","4275","","10.1021/cg300798p","","","0.71073","MoKα","","0.1382","0.095","","","0.229","0.2587","","","","","","1.06","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506597","11.268","0.0008","6.5498","0.0004","11.2646","0.0007","90","","95.933","0.004","90","","826.91","0.09","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-acetoxybenzoic acid","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Arputharaj, David Stephen; Hathwar, Venkatesha R.; Guru Row, Tayur N.; Kumaradhas, Poomani","Topological Electron Density Analysis and Electrostatic Properties of Aspirin: An Experimental and Theoretical Study","Crystal Growth & Design","2012","12","9","4357","","10.1021/cg300269n","","x-ray","0.71073","MoKα","","0.0761","0.0331","","","","0.0525","","","","","","1.896","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506598","7.745","0.003","16.768","0.007","21.273","0.009","92.582","0.007","91.232","0.008","90.657","0.008","2759","2","386","2","386","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H46 Eu4 O35 -","- C54 H46 Eu4 O35 -","- C108 H92 Eu8 O70 -","2","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.1257","0.0965","","","0.1579","0.1724","","","","","","1.043","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506599","7.7172","0.0006","16.6793","0.0013","21.1778","0.0018","92.602","0.007","91.406","0.006","90.705","0.006","2722.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H46 Dy4 O35 -","- C54 H46 Dy4 O35 -","- C108 H92 Dy8 O70 -","2","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.1383","0.0877","","","0.2242","0.2457","","","","","","0.985","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506600","7.4137","0.0003","7.1036","0.0003","23.6243","0.0011","90","","95.764","0.005","90","","1237.86","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Eu O8 -","- C10 H8 Eu O8 -","- C40 H32 Eu4 O32 -","4","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.0671","0.0661","","","0.1812","0.1817","","","","","","1.123","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506601","7.33","0.0002","7.0421","0.0002","23.4314","0.0007","90","","96.144","0.003","90","","1202.55","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Gd O8 -","- C10 H8 Gd O8 -","- C40 H32 Gd4 O32 -","4","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.0468","0.0462","","","0.1193","0.1196","","","","","","1.062","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506602","7.3327","0.0006","7.0342","0.0004","23.4468","0.0011","90","","96.161","0.005","90","","1202.39","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O8 Tb -","- C10 H8 O8 Tb -","- C40 H32 O32 Tb4 -","4","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.0695","0.068","","","0.1605","0.1613","","","","","","1.079","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506603","7.3567","0.0002","7.0497","0.0002","23.4803","0.0005","90","","96.025","0.002","90","","1211.02","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Dy O8 -","- C10 H6 Dy O8 -","- C40 H24 Dy4 O32 -","4","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.0685","0.0636","","","0.1603","0.1624","","","","","","1.026","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506604","7.3194","0.0006","7.0328","0.0006","23.502","0.002","90","","97.081","0.011","90","","1200.56","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ho O8 -","- C10 H8 Ho O8 -","- C40 H32 Ho4 O32 -","4","1","","Shi, Peng-fei; Chen, Zhi; Xiong, Gang; Shen, Bo; Sun, Jing-Zhe; Cheng, Peng; Zhao, Bin","Structures, Luminescence, and Magnetic Properties of Several Three-Dimensional Lanthanide‒Organic Frameworks Comprising 4-Carboxyphenoxy Acetic Acid","Crystal Growth & Design","2012","12","11","5203","","10.1021/cg300277m","","","0.71073","MoKα","","0.0488","0.0452","","","0.1011","0.1026","","","","","","1.093","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506609","5.9537","0.0003","8.3967","0.0005","22.3706","0.0011","90","","90","","90","","1118.34","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ethanolammonium 3-chloromandelate","","","- C10 H14 Cl N O4 -","- C10 H14 Cl N O4 -","- C40 H56 Cl4 N4 O16 -","4","1","","Taratin, N. V.; Lorenz, H.; Kotelnikova, E. N.; Glikin, A. E.; Galland, A.; Dupray, V.; Coquerel, G.; Seidel-Morgenstern, A.","Mixed Crystals in Chiral Organic Systems: A Case Study on (R)- and (S)-Ethanolammonium 3-Chloromandelate","Crystal Growth & Design","2012","12","12","5882","","10.1021/cg3003405","","","0.71073","MoKα","","0.044","0.0378","","","0.0922","0.0948","","","","","","1.031","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506623","7.4818","0.0002","18.7663","0.0007","7.8072","0.0003","90","","114.012","0.0017","90","","1001.31","0.06","295","","295","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H7 N5 -","- C10 H7 N5 -","- C40 H28 N20 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0713","0.0441","","","0.1037","0.119","","","","","","1.033","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506624","11.379","0.0004","7.4032","0.0003","12.9658","0.0005","90","","115.389","0.002","90","","986.76","0.07","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N3 O -","- C11 H7 N3 O -","- C44 H28 N12 O4 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0748","0.0519","","","0.1131","0.1281","","","","","","1.033","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506625","10.7645","0.0004","6.4725","0.0002","13.9718","0.0005","90","","91.0251","0.0015","90","","973.3","0.06","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N3 O2 -","- C11 H7 N3 O2 -","- C44 H28 N12 O8 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0656","0.0412","","","0.1039","0.1149","","","","","","1.05","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506626","11.247","0.0002","7.8725","0.0002","14.2596","0.0004","90","","104.946","0.0012","90","","1219.86","0.05","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 N3 O -","- C15 H9 N3 O -","- C60 H36 N12 O4 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0681","0.0435","","","0.1085","0.1226","","","","","","1.046","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506627","7.7288","0.0002","8.6397","0.0003","9.7439","0.0003","74.0993","0.0012","81.4628","0.0013","63.8558","0.0015","561.44","0.03","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H8 N4 O -","- C13 H8 N4 O -","- C26 H16 N8 O2 -","2","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0603","0.0417","","","0.0971","0.1081","","","","","","1.053","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506628","7.7738","0.0002","10.0484","0.0002","12.6865","0.0002","76.404","0.001","76.3821","0.001","85.9155","0.0009","936.02","0.03","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O2 -","- C23 H16 N4 O2 -","- C46 H32 N8 O4 -","2","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0623","0.0454","","","0.1148","0.129","","","","","","1.02","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506629","7.8021","0.0002","19.8646","0.0006","11.9355","0.0004","90","","105.793","0.0012","90","","1780","0.09","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 N5 O4 -","- C18 H15 N5 O4 -","- C72 H60 N20 O16 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.1022","0.0501","","","0.1165","0.1426","","","","","","1.01","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506630","8.0466","0.0003","10.2842","0.0004","11.7394","0.0006","100.304","0.0017","94.3235","0.0015","109.7","0.002","890.15","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl N4 O -","- C22 H13 Cl N4 O -","- C44 H26 Cl2 N8 O2 -","2","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Adducts of TCNQ with Neutral Nitrogen Bases. Their Rationalization in Terms of Intermolecular Charge-Transfer (CT) or Electron Donor‒Acceptor (EDA) Interactions","Crystal Growth & Design","2012","12","10","4758","","10.1021/cg3004382","","","0.71073","MoKα","","0.0867","0.0687","","","0.1816","0.1972","","","","","","1.044","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506631","24.618","0.003","3.8451","0.0006","12.3857","0.0016","90","","91.33","0.003","90","","1172.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71075","MoKα","","0.0711","0.05","","","0.1327","0.1441","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506632","18.7827","0.0003","6.1948","0.0001","15.6531","0.0003","90","","111.743","0.001","90","","1691.74","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","1.54186","CuKα","","0.0522","0.0397","","","0.1114","0.125","","","","","","1.141","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506633","23.3532","0.0005","5.58131","0.00012","13.0587","0.0003","90","","93.4884","0.0012","90","","1698.94","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N5 O3 S -","- C16 H17 N5 O3 S -","- C64 H68 N20 O12 S4 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","1.54186","CuKα","","0.0924","0.0609","","","0.1835","0.2083","","","","","","1.146","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506634","11.8523","0.0011","5.7183","0.0005","12.3445","0.0012","90","","101.5","0.007","90","","819.85","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N4 O4 -","- C18 H16 N4 O4 -","- C36 H32 N8 O8 -","2","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71073","MoKα","","0.0451","0.0374","","","0.0874","0.0921","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506635","4.476","0.0005","13.4666","0.0014","26.426","0.003","90","","93.712","0.007","90","","1589.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N2 O3 -","- C19 H15 N2 O3 -","- C76 H60 N8 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71073","MoKα","","0.0766","0.0545","","","0.1459","0.1775","","","","","","1.14","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506636","7.8579","0.0007","10.917","0.0009","32.253","0.003","90","","90","","90","","2766.8","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C128 H128 N16 O24 -","8","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71075","MoKα","","0.079","0.0516","","","0.109","0.1199","","","","","","1.056","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506637","19.7104","0.0004","10.8346","0.0002","24.3804","0.0004","90","","90","","90","","5206.54","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H28 N4 O3 -","- C29 H28 N4 O3 -","- C232 H224 N32 O24 -","8","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","1.54186","CuKα","","0.1263","0.0584","","","0.147","0.1872","","","","","","1.045","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506638","9.0694","0.0006","17.9222","0.0017","14.5011","0.0013","90","","90","","90","","2357.1","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71075","MoKα","","0.0433","0.0399","","","0.0957","0.0978","","","","","","1.126","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506639","5.8687","0.0003","4.7866","0.0002","41.133","0.002","90","","92.208","0.003","90","","1154.61","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-salicylidene-4-carboxyaniline","(E)-4-((2-hydroxybenzylidene)amino)benzoic acid","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","1.54186","CuKα","","0.0679","0.0483","","","0.1193","0.1339","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506640","50.8968","0.0012","4.91775","0.00012","12.5961","0.0003","90","","90.5364","0.0013","90","","3152.64","0.13","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N2 O3 -","- C19 H15 N2 O3 -","- C152 H120 N16 O24 -","8","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","1.54186","CuKα","","0.0811","0.0588","","","0.2032","0.2161","","","","","","1.145","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506641","15.5992","0.0014","8.7313","0.0007","18.0848","0.0015","90","","110.397","0.004","90","","2308.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O3 -","- C28 H26 N2 O3 -","- C112 H104 N8 O12 -","4","1","","Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro","Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization","Crystal Growth & Design","2012","12","10","4779","","10.1021/cg300454q","","","0.71075","MoKα","","0.0748","0.0549","","","0.1159","0.1252","","","","","","1.151","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506644","6.1468","0.0015","9.385","0.002","12.214","0.003","74.322","0.004","89.801","0.004","82.231","0.004","671.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F8 I4 S -","- C24 H8 F8 I4 S -","- C24 H8 F8 I4 S -","1","0.5","","Gao, Hai Yue; Zhao, Xiao Ran; Wang, Hui; Pang, Xue; Jin, Wei Jun","Phosphorescent Cocrystals Assembled by 1,4-Diiodotetrafluorobenzene and Fluorene and Its Heterocyclic Analogues Based on C‒I···π Halogen Bonding","Crystal Growth & Design","2012","12","9","4377","","10.1021/cg300515a","","","0.71073","MoKα","","0.0577","0.0503","","","0.1361","0.1437","","","","","","1.042","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506645","5.4259","0.0011","5.7691","0.0011","13.919","0.003","90.582","0.003","101.061","0.003","101.593","0.003","418.35","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O -","- C18 H8 F4 I2 O -","- C18 H8 F4 I2 O -","1","0.5","","Gao, Hai Yue; Zhao, Xiao Ran; Wang, Hui; Pang, Xue; Jin, Wei Jun","Phosphorescent Cocrystals Assembled by 1,4-Diiodotetrafluorobenzene and Fluorene and Its Heterocyclic Analogues Based on C‒I···π Halogen Bonding","Crystal Growth & Design","2012","12","9","4377","","10.1021/cg300515a","","","0.71073","MoKα","","0.0575","0.0535","","","0.1328","0.1367","","","","","","1.058","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506646","8.587","0.0007","7.1141","0.0006","14.7861","0.0012","90","","99.209","0.001","90","","891.62","0.13","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H10 F4 I2 -","- C19 H10 F4 I2 -","- C38 H20 F8 I4 -","2","0.5","","Gao, Hai Yue; Zhao, Xiao Ran; Wang, Hui; Pang, Xue; Jin, Wei Jun","Phosphorescent Cocrystals Assembled by 1,4-Diiodotetrafluorobenzene and Fluorene and Its Heterocyclic Analogues Based on C‒I···π Halogen Bonding","Crystal Growth & Design","2012","12","9","4377","","10.1021/cg300515a","","","0.71073","MoKα","","0.0227","0.0208","","","0.0488","0.051","","","","","","1.111","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506648","9.9706","0.0011","10.2954","0.0012","11.2168","0.0013","71.308","0.009","87.893","0.009","63.152","0.008","965.1","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Br2 Hg N3 O2 -","- C16 H18 Br2 Hg N3 O2 -","- C32 H36 Br4 Hg2 N6 O4 -","2","1","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Isostructural Mercury Coordination Polymers with Amide Junction: Interplay of Coordination and π‒π Stacking","Crystal Growth & Design","2012","12","10","4798","","10.1021/cg300587b","","","0.71073","MoKα","","0.0439","0.036","","","0.0958","0.0987","","","","","","1.196","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506649","10.1703","0.001","14.5624","0.0019","10.7222","0.001","90","","105.41","0.007","90","","1530.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N4 O4 S2 -","- C30 H34 N4 O4 S2 -","- C60 H68 N8 O8 S4 -","2","0.5","","Khavasi, Hamid Reza; Mir Mohammad Sadegh, Bahareh","Isostructural Mercury Coordination Polymers with Amide Junction: Interplay of Coordination and π‒π Stacking","Crystal Growth & Design","2012","12","10","4798","","10.1021/cg300587b","","","0.71073","MoKα","","0.0901","0.0624","","","0.1298","0.14","","","","","","1.109","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506664","20.661","0.018","18.301","0.016","26.84","0.02","90","","95.344","0.016","90","","10105","15","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H92 Cd13 N2 Ni8 O2 S36 -","- C40 H88 Cd13 N2 Ni8 O2 S36 -","- C160 H352 Cd52 N8 Ni32 O8 S144 -","4","0.5","","Jiang, Hao; Sheng, Tianlu; Wang, Xin; Hu, Shengmin; Zhu, Qilong; Fu, Ruibiao; Yu, Peng; Wu, Xintao","Self-Assembly of [M13Ni8S8(edt)14]2‒(M = Cd, Zn): A New Type of Henicosnuclear Heterometallic Clusters Based on Two Primary Building Units","Crystal Growth & Design","2012","12","9","4295","","10.1021/cg300596d","","","0.71073","MoKα","","0.0569","0.0505","","","0.1283","0.1331","","","","","","1.114","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506665","20.324","0.015","17.862","0.013","26.416","0.019","90","","95.885","0.017","90","","9539","12","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H72 N2 Ni8 S36 Zn13 -","- C41 H72 N2 Ni8 S36 Zn13 -","- C164 H288 N8 Ni32 S144 Zn52 -","4","0.5","","Jiang, Hao; Sheng, Tianlu; Wang, Xin; Hu, Shengmin; Zhu, Qilong; Fu, Ruibiao; Yu, Peng; Wu, Xintao","Self-Assembly of [M13Ni8S8(edt)14]2‒(M = Cd, Zn): A New Type of Henicosnuclear Heterometallic Clusters Based on Two Primary Building Units","Crystal Growth & Design","2012","12","9","4295","","10.1021/cg300596d","","","0.71073","MoKα","","0.1138","0.0985","","","0.25","0.2661","","","","","","0.97","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506666","24.2895","0.0004","15.9697","0.0003","21.9356","0.0005","90","0.002","99.271","0.002","90","0.002","8397.6","0.3","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H42 Ce O15.5 Si -","- C28 H17 Ce O9 Si -","- C224 H136 Ce8 O72 Si8 -","8","1","","Gotthardt, Jan M.; White, Keith F.; Abrahams, Brendan F.; Ritchie, Chris; Boskovic, Colette","Fluorite Topology in Lanthanoid Coordination Polymers with Di- and Trimetallic Building Blocks","Crystal Growth & Design","2012","12","9","4425","","10.1021/cg3006103","","","1.54184","CuKα","","0.0379","0.0334","","","0.085","0.087","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506667","11.919","0.005","14.01","0.005","14.792","0.005","118.055","0.005","105.125","0.005","96.417","0.005","2023","1.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H66 Eu3 N6 O25 Si2 -","- C66.5 H56.9 Eu3 N4.5 O24.5 Si2 -","- C66.5 H56.9 Eu3 N4.5 O24.5 Si2 -","1","0.5","","Gotthardt, Jan M.; White, Keith F.; Abrahams, Brendan F.; Ritchie, Chris; Boskovic, Colette","Fluorite Topology in Lanthanoid Coordination Polymers with Di- and Trimetallic Building Blocks","Crystal Growth & Design","2012","12","9","4425","","10.1021/cg3006103","","","0.71073","MoKα","","0.0822","0.0641","","","0.2104","0.218","","","","","","1.269","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506668","12.6184","0.0005","14.0225","0.0007","14.1886","0.0006","60.847","0.005","70.791","0.004","76.205","0.004","2061.13","0.19","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H46 Eu N3 O15 Si -","- C37 H37 Eu N3 O14.801 Si -","- C74 H74 Eu2 N6 O29.602 Si2 -","2","1","","Gotthardt, Jan M.; White, Keith F.; Abrahams, Brendan F.; Ritchie, Chris; Boskovic, Colette","Fluorite Topology in Lanthanoid Coordination Polymers with Di- and Trimetallic Building Blocks","Crystal Growth & Design","2012","12","9","4425","","10.1021/cg3006103","","","1.54184","CuKα","","0.0441","0.0402","","","0.1086","0.1128","","","","","","1.062","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506669","10.1876","0.0004","7.0215","0.0003","19.7798","0.0007","90","","96.999","0.004","90","","1404.35","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cd N O7 -","- C14 H13 Cd N O7 -","- C56 H52 Cd4 N4 O28 -","4","1","","Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia","A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands","Crystal Growth & Design","2012","12","9","4431","","10.1021/cg300612k","","","0.71073","MoKα","","0.0427","0.0363","","","0.0888","0.0929","","","","","","1.057","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506670","17.459","0.002","12.6894","0.0018","10.8705","0.0011","90","","90","","90","","2408.3","0.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C23 H23 Cd N5 O6 -","- C23 H23 Cd N5 O6 -","- C92 H92 Cd4 N20 O24 -","4","1","","Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia","A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands","Crystal Growth & Design","2012","12","9","4431","","10.1021/cg300612k","","","0.71073","MoKα","","0.0857","0.0523","","","0.0632","0.0687","","","","","","1.001","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506671","15.1589","0.0009","8.7394","0.0006","23.8358","0.0017","90","","120.386","0.005","90","","2724","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cd N5 O8 -","- C27 H27 Cd N5 O8 -","- C108 H108 Cd4 N20 O32 -","4","1","","Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia","A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands","Crystal Growth & Design","2012","12","9","4431","","10.1021/cg300612k","","","0.71073","MoKα","","0.0637","0.0524","","","0.119","0.1257","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506672","9.0309","0.001","16.6234","0.0018","10.71","0.0012","90","","99.273","0.011","90","","1586.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N2 O5 Zn -","- C18 H11 N2 O5 Zn -","- C72 H44 N8 O20 Zn4 -","4","1","","Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia","A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands","Crystal Growth & Design","2012","12","9","4431","","10.1021/cg300612k","","","0.71073","MoKα","","0.0587","0.0454","","","0.1195","0.1249","","","","","","1.107","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506673","8.0033","0.0005","20.0585","0.0011","14.5833","0.0009","90","","101.315","0.007","90","","2295.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O5 Zn -","- C26 H21 N3 O5 Zn -","- C104 H84 N12 O20 Zn4 -","4","1","","Sun, Xiao-Li; Wang, Zhi-Jie; Zang, Shuang-Quan; Song, Wen-Chao; Du, Chen-Xia","A Series of Cd(II) and Zn(II) Coordination Polymers with Helical Subunits Assembled from a Versatile 3-(4-hydroxypyridinium-1-yl) Phthalic Acid and N-Donor Ancillary Coligands","Crystal Growth & Design","2012","12","9","4431","","10.1021/cg300612k","","","0.71073","MoKα","","0.0413","0.0323","","","0.0751","0.079","","","","","","1.026","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506674","10.5614","0.0012","12.7686","0.0015","14.1557","0.0016","91.971","0.001","110.104","0.001","102.555","0.001","1737.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Co N6 O24 Sm2 -","- C24 H26 Co N6 O24 Sm2 -","- C48 H52 Co2 N12 O48 Sm4 -","2","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.0594","0.0422","","","0.0917","0.102","","","","","","1.049","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506675","10.589","0.0013","12.8173","0.0016","14.261","0.0018","92.008","0.002","110.531","0.001","102.872","0.002","1753.4","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Fe N6 O24 Sm2 -","- C24 H26 Fe N6 O24 Sm2 -","- C48 H52 Fe2 N12 O48 Sm4 -","2","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.0624","0.0432","","","0.0915","0.1034","","","","","","1.025","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506676","10.5406","0.0009","12.7755","0.0011","14.148","0.0013","91.801","0.001","110.012","0.001","102.861","0.001","1733.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Co Eu2 N6 O24 -","- C24 H26 Co Eu2 N6 O24 -","- C48 H52 Co2 Eu4 N12 O48 -","2","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.1829","0.1333","","","0.2754","0.3121","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506677","10.5283","0.0016","12.771","0.002","14.211","0.002","91.875","0.002","110.438","0.002","103.068","0.002","1731","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Eu2 Fe N6 O24 -","- C24 H26 Eu2 Fe N6 O24 -","- C48 H52 Eu4 Fe2 N12 O48 -","2","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.236","0.1722","","","0.3379","0.3777","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506678","10.5121","0.0009","12.7592","0.0011","14.1244","0.0012","91.699","0.001","109.952","0.001","102.984","0.001","1723.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 Co Gd2 N6 O24 -","- C24 H26 Co Gd2 N6 O24 -","- C48 H52 Co2 Gd4 N12 O48 -","2","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.1216","0.0915","","","0.2195","0.2655","","","","","","1.093","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506679","8.47","0.0006","23.5866","0.0017","15.4231","0.0009","90","","117.274","0.003","90","","2738.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Ag3 N6 O15 Sm2 -","- C22 H13 Ag3 N6 O15 Sm2 -","- C88 H52 Ag12 N24 O60 Sm8 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.1414","0.1122","","","0.2376","0.2607","","","","","","1.094","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506680","8.4073","0.0004","23.5633","0.0012","15.3911","0.0006","90","","117.149","0.002","90","","2713.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Ag3 Gd2 N6 O15 -","- C22 H13 Ag3 Gd2 N6 O15 -","- C88 H52 Ag12 Gd8 N24 O60 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.118","0.1072","","","0.2187","0.2251","","","","","","1.09","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506681","8.367","0.002","23.54","0.012","15.388","0.01","90","","117.11","0.05","90","","2698","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Ag3 N6 O15 Tb2 -","- C22 H13 Ag3 N6 O15 Tb2 -","- C88 H52 Ag12 N24 O60 Tb8 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.0505","0.0364","","","0.0789","0.0842","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506682","8.4705","0.001","23.577","0.003","15.422","0.0014","90","","117.257","0.005","90","","2737.9","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Ag3 Dy2 N6 O15 -","- C22 H13 Ag3 Dy2 N6 O15 -","- C88 H52 Ag12 Dy8 N24 O60 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Wang, Ning; Zhang, Wei-Guang","Two Types of New Three-Dimensional d‒f Heterometallic Coordination Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4441","","10.1021/cg300613t","","","0.71073","MoKα","","0.1395","0.1127","","","0.2386","0.2578","","","","","","1.084","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506683","16.7762","0.0007","17.0105","0.0007","18.3171","0.0008","73.789","0.001","65.33","0.001","72.134","0.001","4451.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H147 N12 O18 -","- C75 H147 N12 O18 -","- C150 H294 N24 O36 -","2","1","","Han, Jie; Yau, Chung-Wah; Chan, Chin Wing; Mak, Thomas C. W.","Anionic Host Layers Constructed with Guanidinium‒Hydrogen Carbonate Dimer 2:1 Rosette-Ribbons and Bridging Carboxylate Connectors","Crystal Growth & Design","2012","12","9","4457","","10.1021/cg3006184","","","0.71073","MoKα","","0.1564","0.0777","","","0.2388","0.2812","","","","","","0.987","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506684","12.8302","0.001","13.7334","0.0011","22.2613","0.0018","77.353","0.002","74.65","0.002","74.333","0.002","3595.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H122 N14 O19 -","- C51 H122 N14 O19 -","- C102 H244 N28 O38 -","2","1","","Han, Jie; Yau, Chung-Wah; Chan, Chin Wing; Mak, Thomas C. W.","Anionic Host Layers Constructed with Guanidinium‒Hydrogen Carbonate Dimer 2:1 Rosette-Ribbons and Bridging Carboxylate Connectors","Crystal Growth & Design","2012","12","9","4457","","10.1021/cg3006184","","","0.71073","MoKα","","0.1724","0.0761","","","0.2098","0.2478","","","","","","0.954","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506685","29.0855","0.001","16.3428","0.0007","13.5836","0.0006","90","","97.575","0.002","90","","6400.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H49 N5 O6 -","- C26 H49 N5 O6 -","- C208 H392 N40 O48 -","8","2","","Han, Jie; Yau, Chung-Wah; Chan, Chin Wing; Mak, Thomas C. W.","Anionic Host Layers Constructed with Guanidinium‒Hydrogen Carbonate Dimer 2:1 Rosette-Ribbons and Bridging Carboxylate Connectors","Crystal Growth & Design","2012","12","9","4457","","10.1021/cg3006184","","","1.54178","CuKα","","0.1067","0.0717","","","0.2372","0.2668","","","","","","1.064","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506686","21.4165","0.0003","15.9064","0.0003","27.0558","0.0005","90","","109.177","0.001","90","","8705.4","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H141 N19 O20 -","- C66 H141 N19 O20 -","- C264 H564 N76 O80 -","4","0.5","","Han, Jie; Yau, Chung-Wah; Chan, Chin Wing; Mak, Thomas C. W.","Anionic Host Layers Constructed with Guanidinium‒Hydrogen Carbonate Dimer 2:1 Rosette-Ribbons and Bridging Carboxylate Connectors","Crystal Growth & Design","2012","12","9","4457","","10.1021/cg3006184","","","1.54178","CuKα","","0.0913","0.0736","","","0.2291","0.2449","","","","","","1.106","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506688","12.6277","0.001","17.3845","0.0011","16.305","0.002","90","","115.87","0.009","90","","3220.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H27 Ge12 N5 O27 -","- C6 H27 Ge12 N5 O27 -","- C24 H108 Ge48 N20 O108 -","4","1","","Inge, A. Ken; Huang, Shiliang; Chen, Hong; Moraga, Francisca; Sun, Junliang; Zou, Xiaodong","The Structure of a Complex Open-Framework Germanate Obtained by Combining Powder Charge-Flipping and Simulated Annealing","Crystal Growth & Design","2012","12","10","4853","","10.1021/cg300647s","","","0.6889","synchrotron","","0.0965","0.078","","","0.201","0.2201","","","","","","0.998","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506689","7.3","0.003","20.927","0.01","7.548","0.0007","90","","91.396","0.016","90","","1152.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Mn N2 O5 -","- C9 H10 Mn N2 O5 -","- C36 H40 Mn4 N8 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","x-ray","0.71073","MoKα","","0.0854","0.0566","","","0.0943","0.1025","","","","","","1.11","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506690","7.474","0.0015","21.371","0.004","7.571","0.0015","90","","90.12","0.03","90","","1209.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Mn N2 O5 -","- C10 H12 Mn N2 O5 -","- C40 H48 Mn4 N8 O20 -","4","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","","0.738","","","0.0653","0.0583","","","0.1622","0.1702","","","","","","1.085","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506691","7.257","0.0003","25.9657","0.001","7.5506","0.0003","90","","90","","90","","1422.78","0.1","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C12 H12 Mn N2 O5 -","- C12 H12 Mn N2 O5 -","- C48 H48 Mn4 N8 O20 -","4","0.5","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","x-ray","1.54184","CuKα","","0.0863","0.0793","","","0.2326","0.2403","","","","","","1.142","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506692","37.055","0.002","7.3447","0.0006","7.3447","0.0005","90","","90","","90","","1998.9","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H16 Mn N4 O5 -","- C19 H16 Mn N4 O5 -","- C76 H64 Mn4 N16 O20 -","4","0.5","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","x-ray","0.71073","MoKα","","0.1068","0.0797","","","0.2268","0.2418","","","","","","1.125","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506693","12.947","0.003","13.527","0.003","14.019","0.003","92.85","0.03","114.3","0.03","112.22","0.03","2009.2","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Mn2 N8 O12 -","- C34 H36 Mn2 N8 O12 -","- C68 H72 Mn4 N16 O24 -","2","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","","0.738","","","0.1291","0.1072","","","0.2967","0.3212","","","","","","1.258","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506694","5.939","0.0012","10.612","0.002","16.723","0.003","80.24","0.03","89.46","0.03","84.87","0.03","1034.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Mn N4 O7 -","- C20 H22 Mn N4 O7 -","- C40 H44 Mn2 N8 O14 -","2","1","","Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina","Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2012","12","9","4505","","10.1021/cg300670a","","","0.738","","","0.0683","0.067","","","0.184","0.1855","","","","","","1.047","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506695","10.638","0.002","10.699","0.002","11.374","0.002","83.643","0.004","81.674","0.003","87.312","0.004","1272.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 Cd N4 O14 -","- C16 H18 Cd N4 O14 -","- C32 H36 Cd2 N8 O28 -","2","1","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.0482","0.0415","","","0.1218","0.1299","","","","","","1.075","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506696","10.7023","0.0014","14.2913","0.0019","16.251","0.002","86.659","0.002","85.857","0.003","86.779","0.002","2471.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H58 Cd2 N8 O27 -","- C32 H36 Cd2 N8 O27 -","- C64 H72 Cd4 N16 O54 -","2","1","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.0711","0.0517","","","0.1257","0.1493","","","","","","1.094","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506697","22.968","0.004","20.669","0.004","10.6044","0.0018","90","","90","","90","","5034.2","1.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H52 Cd4 N8 O26 -","- C32 H27 Cd4 N8 O26 -","- C128 H108 Cd16 N32 O104 -","4","0.5","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.1349","0.0528","","","0.1197","0.1656","","","","","","1.01","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506698","15.588","0.003","15.588","0.003","35.69","0.01","90","","90","","90","","8672","3","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C72 H92 Cd4 N16 O26 -","- C72 H72 Cd4 N16 O26 -","- C288 H288 Cd16 N64 O104 -","4","0.25","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.1935","0.0781","","","0.177","0.2283","","","","","","1.101","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506699","16.06","0.002","15.2142","0.0019","17.819","0.002","90","","100.199","0.002","90","","4285.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cd2 N8 O20 -","- C32 H40 Cd2 N8 O20 -","- C128 H160 Cd8 N32 O80 -","4","1","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.0604","0.0376","","","0.0795","0.0888","","","","","","1.079","","","","has coordinates,has disorder","179602","2020-10-21","18:00:00",""
"4506700","8.342","0.002","10.217","0.003","11.334","0.003","90","","91.735","0.005","90","","965.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cd N4 O8 -","- C16 H18 Cd N4 O8 -","- C32 H36 Cd2 N8 O16 -","2","0.5","","Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu","2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers","Crystal Growth & Design","2012","12","10","4861","","10.1021/cg300678h","","","0.71073","MoKα","","0.039","0.0279","","","0.0663","0.0717","","","","","","1.052","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506701","5.0174","0.0005","8.8907","0.0009","12.7562","0.0014","106.205","0.004","91.404","0.005","90.153","0.005","546.23","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C22 H32 N4 O4 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","Crystal Design Approaches for the Synthesis of Paracetamol Co-Crystals","Crystal Growth & Design","2012","12","10","4870","","10.1021/cg300689m","","","0.71073","MoKα","","0.0502","0.0412","","0.0655","0.0456","0.0425","","","","","","1.0723","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506702","9.0546","0.0018","10.624","0.002","14.316","0.003","82.97","0.03","89.69","0.03","73.85","0.03","1312.3","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H32 N4 O5 -","- C29 H32 N4 O5 -","- C58 H64 N8 O10 -","2","1","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","Crystal Design Approaches for the Synthesis of Paracetamol Co-Crystals","Crystal Growth & Design","2012","12","10","4870","","10.1021/cg300689m","","","0.71073","MoKα","","0.0474","0.0419","","0.0553","0.0434","0.0434","","","","","","1.1173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506703","8.9707","0.0004","12.8632","0.0006","16.8305","0.0007","106.068","0.002","95.273","0.002","95.138","0.002","1844.87","0.14","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","2","","Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.","Crystal Design Approaches for the Synthesis of Paracetamol Co-Crystals","Crystal Growth & Design","2012","12","10","4870","","10.1021/cg300689m","","","0.71073","MoKα","","0.1062","0.0544","","0.1348","0.0568","0.0568","","","","","","1.1024","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506704","21.936","0.001","16.0251","0.0007","7.6037","0.0003","90","","90","","90","","2672.9","0.2","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H15 Ag6 N3 O9 -","- C24 H15 Ag6 N3 O9 -","- C96 H60 Ag24 N12 O36 -","4","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0333","0.0283","","","0.0632","0.0658","","","","","","1.037","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506705","16.9178","0.0006","6.5132","0.0002","13.6048","0.0005","90","","92.956","0.001","90","","1497.1","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Ag3 N O3 -","- C16 H10 Ag3 N O3 -","- C64 H40 Ag12 N4 O12 -","4","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0239","0.0226","","","0.0551","0.0562","","","","","","1.034","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506706","8.5801","0.0005","14.8942","0.0009","16.6447","0.001","67.434","0.001","85.225","0.001","82.417","0.001","1945.8","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H32 Ag5 B F4 O2 S2 -","- C36 H32 Ag5 B F4 O2 S2 -","- C72 H64 Ag10 B2 F8 O4 S4 -","2","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0394","0.03","","","0.0836","0.1002","","","","","","1.084","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506707","8.545","0.0003","26.8795","0.001","17.5971","0.0007","90","","103.506","0.001","90","","3930","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Ag5 Cl O6 S2 -","- C36 H32 Ag5 Cl O6 S2 -","- C144 H128 Ag20 Cl4 O24 S8 -","4","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0501","0.0349","","","0.0887","0.1023","","","","","","1.061","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506708","8.5053","0.0006","27.4572","0.0019","17.8568","0.0012","90","","103.08","0.001","90","","4061.9","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Ag5 F6 O2 P S2 -","- C36 H32 Ag5 F6 O2 P S2 -","- C144 H128 Ag20 F24 O8 P4 S8 -","4","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0529","0.0422","","","0.1091","0.12","","","","","","1.053","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506709","8.4617","0.0012","27.714","0.004","17.932","0.002","90","","102.692","0.003","90","","4102.4","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Ag5 As F6 O2 S2 -","- C36 H32 Ag5 As F6 O2 S2 -","- C144 H128 Ag20 As4 F24 O8 S8 -","4","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.1051","0.0503","","","0.1099","0.133","","","","","","1.005","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506710","8.4128","0.0005","16.7218","0.0011","16.7461","0.0011","114.113","0.001","99.079","0.001","94.424","0.001","2096.9","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H32 Ag5 F6 N0 O2 S2 Sb -","- C36 H17 Ag5 F6 O2 S2 Sb -","- C72 H34 Ag10 F12 O4 S4 Sb2 -","2","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0873","0.0675","","","0.1498","0.1614","","","","","","1.092","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506711","14.146","0.0013","16.1829","0.0015","23.228","0.002","90.745","0.002","95.358","0.002","105.886","0.002","5087.9","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H68 Ag14 F30 O28 S8 -","- C68 H68 Ag14 F30 O28 S8 -","- C136 H136 Ag28 F60 O56 S16 -","2","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0568","0.0504","","","0.1319","0.1348","","","","","","1.14","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506712","35.168","0.007","14.39","0.003","19.492","0.004","90","","109.192","0.004","90","","9316","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 Ag6.5 F3 N0.5 O6 S2.5 -","- C44 H31 Ag6.5 F3 N0.5 O6 S2.5 -","- C352 H248 Ag52 F24 N4 O48 S20 -","8","1","","Cheng, Ping-Shing; Marivel, Samipillai; Zang, Shuang-Quan; Gao, Guang-Gang; Mak, Thomas C. W.","Argentophilic Infinite Chain, Column, and Layer Structures Assembled with the Multinuclear Silver(I)‒Phenylethynide Supramolecular Synthon","Crystal Growth & Design","2012","12","9","4519","","10.1021/cg300691n","","","0.71073","MoKα","","0.0502","0.034","","","0.0878","0.108","","","","","","1.138","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506713","10.0715","0.0004","14.8192","0.0007","11.8886","0.0006","87.715","0.004","90.239","0.003","89.911","0.003","1772.96","0.14","295","1","295","1","","","","","","","see text","6","P 1","P 1","1","","2-fluorobenzoylcarvacryl thiourea, Form IA","","- C18 H19 F N2 O2 S -","- C18 H19 F N2 O2 S -","- C72 H76 F4 N8 O8 S4 -","4","4","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0849","0.0475","","","0.0781","0.0853","","","","","","0.853","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506714","10.0148","0.0018","14.78","0.003","11.601","0.002","90","","90.796","0.003","90","","1717","0.6","90","1","90","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","2-fluoro benzoyl carvacrol thiourea, FormIB","","- C18 H19 F N2 O2 S -","- C18 H19 F N2 O2 S -","- C72 H76 F4 N8 O8 S4 -","4","2","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0717","0.0465","","","0.075","0.084","","","","","","0.993","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506715","23.5271","0.0012","10.7467","0.0006","13.5653","0.0009","90","","97.631","0.005","90","","3399.5","0.3","100","1","100","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","2-fluorobenzoylcarvacryl thiourea, Form II","","- C18 H18 F N2 O2 S -","- C18 H18 F N2 O2 S -","- C144 H144 F8 N16 O16 S8 -","8","1","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0418","0.0331","","","0.0856","0.0903","","","","","","1.064","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506716","23.42","0.0019","10.788","0.0009","13.5978","0.0012","90","","95.991","0.003","90","","3416.8","0.5","100","1","100","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","2,6-difluorobenzoylcarvacryl thiourea","","- C18 H18 F2 N2 O2 S -","- C18 H18 F2 N2 O2 S -","- C144 H144 F16 N16 O16 S8 -","8","1","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0468","0.0422","","","0.1093","0.1121","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506717","23.4872","0.0011","10.7385","0.0005","13.6376","0.0008","90","","98.421","0.005","90","","3402.6","0.3","110","1","110","1","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","benzoylcarvacryl thiourea","","- C18 H20 N2 O2 S -","- C18 H20 N2 O2 S -","- C144 H160 N16 O16 S8 -","8","1","","Dikundwar, Amol G.; Pete, Umesh D.; Zade, Chetan M.; Bendre, Ratnamala S.; Guru Row, Tayur N.","Tracing a Common “Origin” of Phase Transformation, Polymorphism, Disorder, Isosterism, and Isostructuralism in Fluorobenzoylcarvacryl Thiourea","Crystal Growth & Design","2012","12","9","4530","","10.1021/cg300699r","","x-ray","0.71073","MoKα","","0.0664","0.0449","","","0.0926","0.1031","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506718","11.41571","0.00009","10.98858","0.0001","8.19298","0.00005","86.5493","0.0004","99.3077","0.0004","122.358","0.0004","856.303","0.012","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H44 N4 O10 -","- C34 H44 N4 O10 -","- C34 H44 N4 O10 -","1","0.5","","Prohens, Rafel; Portell, Anna; Alcob Xavier","Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound","Crystal Growth & Design","2012","12","9","4548","","10.1021/cg300727r","powder diffraction","","1.54175","CuKα","","","","","","","","","3.5913","","","","","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506719","7.048","0.00006","9.32696","0.00015","14.50037","0.00019","76.7937","0.0009","81.7078","0.0007","77.438","0.0006","901.29","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 N4 O12 -","- C34 H48 N4 O12 -","- C34 H48 N4 O12 -","1","0.5","","Prohens, Rafel; Portell, Anna; Alcob Xavier","Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound","Crystal Growth & Design","2012","12","9","4548","","10.1021/cg300727r","powder diffraction","","1.54175","CuKα","","","","","","","","","3.7491","","","","","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506720","16.37064","0.00012","10.0064","0.00006","7.27971","0.00003","90","","98.8213","0.0005","90","","1178.39","0.012","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N4 O6 -","- C22 H32 N4 O6 -","- C44 H64 N8 O12 -","2","0.5","","Prohens, Rafel; Portell, Anna; Alcob Xavier","Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound","Crystal Growth & Design","2012","12","9","4548","","10.1021/cg300727r","powder diffraction","","1.54175","CuKα","","","","","","","","","1.1076","","","","","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506721","12.9142","0.0005","13.4373","0.0002","6.8287","0.00013","90","","96.9271","0.0017","90","","1176.35","0.05","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N4 O6 -","- C22 H32 N4 O6 -","- C44 H64 N8 O12 -","2","0.5","","Prohens, Rafel; Portell, Anna; Alcob Xavier","Effect of Preorganization on the Polymorphism and Cocrystallization of a Squaramide Compound","Crystal Growth & Design","2012","12","9","4548","","10.1021/cg300727r","powder diffraction","","1.54175","CuKα","","","","","","","","","3.3887","","","","","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506722","12.46022","0.00013","8.87772","0.00008","12.73088","0.00012","90","","103.052","0.001","90","","1371.88","0.02","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H16 N2 O8 -","- C13 H16 N2 O8 -","- C52 H64 N8 O32 -","4","2","","Wang, Zi-Zhou; Chen, Jia-Mei; Lu, Tong-Bu","Enhancing the Hygroscopic Stability ofS-Oxiracetam via Pharmaceutical Cocrystals","Crystal Growth & Design","2012","12","9","4562","","10.1021/cg300757k","","","1.54178","CuKα","","0.0368","0.0349","","","0.0927","0.0954","","","","","","1.039","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506723","12.6137","0.001","8.9398","0.0007","12.5452","0.0008","90","","103.58","0.007","90","","1375.1","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O8 -","- C13 H16 N2 O8 -","- C52 H64 N8 O32 -","4","1","","Wang, Zi-Zhou; Chen, Jia-Mei; Lu, Tong-Bu","Enhancing the Hygroscopic Stability ofS-Oxiracetam via Pharmaceutical Cocrystals","Crystal Growth & Design","2012","12","9","4562","","10.1021/cg300757k","","","1.54178","CuKα","","0.0638","0.0526","","","0.1242","0.1332","","","","","","1.051","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506724","22.2113","0.0006","6.0673","0.0002","11.2292","0.0003","90","","112.595","0.003","90","","1397.12","0.08","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","Oxi34dhBA","","- C13 H16 N2 O7 -","- C13 H16 N2 O7 -","- C52 H64 N8 O28 -","4","1","","Wang, Zi-Zhou; Chen, Jia-Mei; Lu, Tong-Bu","Enhancing the Hygroscopic Stability ofS-Oxiracetam via Pharmaceutical Cocrystals","Crystal Growth & Design","2012","12","9","4562","","10.1021/cg300757k","","","1.5418","CuKα","","0.0516","0.0472","","","0.1214","0.1258","","","","","","1.05","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506725","4.8946","0.0003","15.4818","0.0008","8.7607","0.0005","90","","95.185","0.005","90","","661.15","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N2 O2 S -","- C5 H6 N2 O2 S -","- C20 H24 N8 O8 S4 -","4","1","","Akiri, Kalyanachakravarthi; Cherukuvada, Suryanarayan; Rana, Soumendra; Nangia, Ashwini","Crystal Structures of Pyridine Sulfonamides and Sulfonic Acids","Crystal Growth & Design","2012","12","9","4567","","10.1021/cg3007603","","","0.7107","MoKα","","0.0382","0.0316","","","0.0865","0.0887","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506726","4.9893","0.0009","7.0628","0.0016","9.7308","0.0016","108.25","0.002","94.716","0.003","96.499","0.003","321.03","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H6 N2 O2 S -","- C5 H6 N2 O2 S -","- C10 H12 N4 O4 S2 -","2","1","","Akiri, Kalyanachakravarthi; Cherukuvada, Suryanarayan; Rana, Soumendra; Nangia, Ashwini","Crystal Structures of Pyridine Sulfonamides and Sulfonic Acids","Crystal Growth & Design","2012","12","9","4567","","10.1021/cg3007603","","","0.71073","MoKα","","0.0305","0.0297","","","0.0759","0.0765","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506727","7.1874","0.0003","11.4435","0.0005","14.9673","0.0009","90","","90","","90","","1231.05","0.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N O3 S -","- C5 H5 N O3 S -","- C40 H40 N8 O24 S8 -","8","1","","Akiri, Kalyanachakravarthi; Cherukuvada, Suryanarayan; Rana, Soumendra; Nangia, Ashwini","Crystal Structures of Pyridine Sulfonamides and Sulfonic Acids","Crystal Growth & Design","2012","12","9","4567","","10.1021/cg3007603","","","0.7107","MoKα","","0.0442","0.0382","","","0.0965","0.1016","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506728","5.4285","0.0016","15.583","0.005","7.6802","0.0019","90","","108.61","0.03","90","","615.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H5 N O3 S -","- C5 H5 N O3 S -","- C20 H20 N4 O12 S4 -","4","1","","Akiri, Kalyanachakravarthi; Cherukuvada, Suryanarayan; Rana, Soumendra; Nangia, Ashwini","Crystal Structures of Pyridine Sulfonamides and Sulfonic Acids","Crystal Growth & Design","2012","12","9","4567","","10.1021/cg3007603","","","0.7107","MoKα","","0.0699","0.054","","","0.1652","0.1799","","","","","","1.117","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506729","3.9402","0.0005","35.146","0.004","8.4585","0.001","90","","101.18","0.002","90","","1149.1","0.2","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O6 -","- C28 H24 N2 O6 -","- C56 H48 N4 O12 -","2","0.5","","Lee, Tu; Chen, Hsin Rong; Lin, Hong Yu; Lee, Hung Lin","Continuous Co-Crystallization As a Separation Technology: The Study of 1:2 Co-Crystals of Phenazine‒Vanillin","Crystal Growth & Design","2012","12","12","5897","","10.1021/cg300763t","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506730","7.072","0.013","5.1","0.01","13.13","0.03","90","","109.18","0.05","90","","447.3","1.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H8 N2 -","- C24 H16 N4 -","2","0.5","","Lee, Tu; Chen, Hsin Rong; Lin, Hong Yu; Lee, Hung Lin","Continuous Co-Crystallization As a Separation Technology: The Study of 1:2 Co-Crystals of Phenazine‒Vanillin","Crystal Growth & Design","2012","12","12","5897","","10.1021/cg300763t","","","0.71073","MoKα","","0.4041","0.2678","","","0.5825","0.684","","","","","","1.75","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506731","14.0508","0.0007","7.8639","0.0004","15.0117","0.0009","90","","115.486","0.002","90","","1497.3","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","","Lee, Tu; Chen, Hsin Rong; Lin, Hong Yu; Lee, Hung Lin","Continuous Co-Crystallization As a Separation Technology: The Study of 1:2 Co-Crystals of Phenazine‒Vanillin","Crystal Growth & Design","2012","12","12","5897","","10.1021/cg300763t","","","0.71073","MoKα","","0.0769","0.0482","","","0.1327","0.1568","","","","","","1.122","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506732","22.275","0.005","9.1138","0.0018","22.091","0.004","90","","105.39","0.03","90","","4323.9","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Cd N2 O8 -","- C21 H19 Cd N2 O8 -","- C168 H152 Cd8 N16 O64 -","8","1","","Cao, Li-Hui; Li, Hai-Yang; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","(4,4)-Connected Self-penetrating Pillared-Layered Metal‒Organic Framework Based on a Nanosized Flexible Aromatic Carboxylic Acid Ligand","Crystal Growth & Design","2012","12","9","4299","","10.1021/cg3007712","","","0.71073","MoKα","","0.0878","0.0779","","","0.1607","0.1669","","","","","","1.186","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506733","8.7354","0.0006","9.8973","0.0006","32.784","0.003","90","","90","","90","","2834.4","0.4","295","2","295","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","(Z)-1-(4'-benzamide-2'-butenyl)cytosine","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C120 H128 N32 O16 -","8","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1132","0.0424","","","0.0626","0.0688","","","","","","0.998","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506734","8.5569","0.0006","10.007","0.0006","33.317","0.004","90","","90","","90","","2852.9","0.4","295","2","295","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","(Z)-1-(4'-benzamide-2'-butenyl)-5-fluorocytosine","","- C15 H15 F N4 O2 -","- C15 H15 F N4 O2 -","- C120 H120 F8 N32 O16 -","8","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1087","0.066","","","0.1898","0.2097","","","","","","0.999","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506735","16.4507","0.0009","8.7236","0.0003","9.9629","0.0004","90","","90.171","0.005","90","","1429.76","0.11","295","2","295","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(4'-(4''-fluoro)benzamide-2'-butenyl)cytosine","","- C15 H15 F N4 O2 -","- C15 H15 F N4 O2 -","- C60 H60 F4 N16 O8 -","4","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.0912","0.044","","","0.1222","0.1341","","","","","","1.004","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506736","14.4861","0.0005","19.8854","0.0007","21.2864","0.0008","90","","90","","90","","6131.8","0.4","295","2","295","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","(Z)-1-[4'-(4''-fluoro)benzamide-2'-butenyl]-5-fluorocytosine hemihydrate","","- C15 H15 F2 N4 O2.5 -","- C15 H15 F2 N4 O2.5 -","- C240 H240 F32 N64 O40 -","16","2","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1115","0.0358","","","0.058","0.0625","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506737","16.2425","0.0008","11.2706","0.0005","15.9376","0.0009","90","","100.63","0.005","90","","2867.5","0.3","295","2","295","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","(Z)-1-(4'-benzamide-2'-butenyl)uracil","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C120 H120 N24 O24 -","8","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.094","0.0556","","","0.1586","0.1693","","","","","","0.999","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506738","16.9098","0.0007","11.2132","0.0004","15.4936","0.0007","90","","100.66","0.005","90","","2887.1","0.2","295","2","295","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","(Z)-1-(4'-benzamide-2'-butenyl)-5-fluorouracil","","- C15 H14 F N3 O3 -","- C15 H14 F N3 O3 -","- C120 H112 F8 N24 O24 -","8","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.0753","0.0424","","","0.1102","0.12","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506739","11.7837","0.0013","10.928","0.0008","23.738","0.002","90","","100.754","0.01","90","","3003.1","0.5","295","2","295","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(4'-benzamide-2'-butenyl)thymine","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C128 H136 N24 O24 -","8","2","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1295","0.0606","","","0.1478","0.1601","","","","","","0.999","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506740","5.921","0.002","30.199","0.01","10.162","0.004","90","","119.67","0.02","90","","1578.8","1","295","2","295","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1-[4'-(4''-fluoro)benzamide-2'-butenyl]thymine","","- C16 H16 F N3 O3 -","- C16 H16 F N3 O3 -","- C64 H64 F4 N12 O12 -","4","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.1916","0.066","","","0.065","0.0799","","","","","","0.983","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506741","4.3098","0.0004","25.4209","0.0016","9.7322","0.0005","90","","96.947","0.007","90","","1058.42","0.13","295","2","295","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","(Z)-4-chloro-2-butenylbenzamide","","- C11 H12 Cl N O -","- C11 H12 Cl N O -","- C44 H48 Cl4 N4 O4 -","4","1","","Cetina, Mario; Benci, Krešimir; Wittine, Karlo; Mintas, Mladen","Weak C‒H···π and C‒H···F Interactions Form Higher-Order Supramolecular Structures in Cytosine and Uracil (Z)-4′-Benzamido-2′-butenyl Derivatives","Crystal Growth & Design","2012","12","11","5262","","10.1021/cg300774d","","","0.71073","MoKα","","0.081","0.0427","","","0.0879","0.094","","","","","","0.997","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4506742","25.96","0.02","3.732","0.003","15.585","0.014","90","","110.502","0.011","90","","1414","2","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag2 N4 O4 -","- C14 H10 Ag2 N4 O4 -","- C56 H40 Ag8 N16 O16 -","4","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.0418","0.0348","","","0.0837","0.0871","","","","","","0.957","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506743","3.7843","0.0008","7.7515","0.0016","10.297","0.002","92.957","0.002","95.118","0.003","92.835","0.003","300","0.11","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Ag N3 O4 -","- C14 H8 Ag N3 O4 -","- C14 H8 Ag N3 O4 -","1","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.0332","0.0304","","","0.0658","0.0827","","","","","","1.166","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506744","9.8973","0.0007","21.2813","0.0015","6.2306","0.0005","90","","90","","90","","1312.34","0.17","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H10 N4 O4 Zn -","- C14 H10 N4 O4 Zn -","- C56 H40 N16 O16 Zn4 -","4","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.035","0.0283","","","0.0697","0.0724","","","","","","1.013","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506745","9.8973","0.0007","21.2813","0.0015","6.2306","0.0005","90","","90","","90","","1312.34","0.17","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H10 Cd N4 O4 -","- C14 H10 Cd N4 O4 -","- C56 H40 Cd4 N16 O16 -","4","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.0273","0.0226","","","0.0533","0.0549","","","","","","1.042","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506746","9.9006","0.0014","21.354","0.003","6.226","0.0009","90","","90","","90","","1316.3","0.3","291","2","291","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H10 Co N4 O4 -","- C14 H10 Co N4 O4 -","- C56 H40 Co4 N16 O16 -","4","0.5","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.1231","0.0477","","","0.0542","0.0651","","","","","","0.701","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506747","5.3699","0.0008","10.667","0.0017","10.8909","0.0017","90","","90","","90","","623.84","0.17","291","2","291","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C14 H10 N4 Ni O4 -","- C14 H10 N4 Ni O4 -","- C28 H20 N8 Ni2 O8 -","2","0.25","","Tao, Tao; Lei, Yan-Hua; Peng, Yu-Xin; Wang, Ying; Huang, Wei; Chen, Zhao-Xu; You, Xiao-Zeng","The First Observation of One-Dimensional Naphthalenediimidato-Based Transition-Metal Coordination Polymers: Syntheses, Crystal Structures and Properties","Crystal Growth & Design","2012","12","9","4580","","10.1021/cg300776y","","","0.71073","MoKα","","0.0499","0.0363","","","0.0806","0.0856","","","","","","0.969","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506748","13.485","0.002","7.0669","0.0011","13.51","0.002","90","","98.345","0.002","90","","1273.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Niclosamide","2,5-dichloro-4-nitrosalicylanilide ?","","- C13 H8 Cl2 N2 O4 -","- C13 H8 Cl2 N2 O4 -","- C52 H32 Cl8 N8 O16 -","4","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.0372","0.0349","","","0.0915","0.0931","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506749","7.8756","0.0004","10.7632","0.0006","25.8869","0.0013","90","","96.286","0.001","90","","2181.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Niclosamide-caffeine","2,5-dichloro-4-nitrosalicylanilide,1,3,7-trimethyl-1H-purine-2,6-dione ?","","- C21 H18 Cl2 N6 O6 -","- C21 H18 Cl2 N6 O6 -","- C84 H72 Cl8 N24 O24 -","4","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.0572","0.0547","","","0.1531","0.1555","","","","","","1.033","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506750","7.281","0.0014","12.763","0.002","12.789","0.002","62.543","0.017","76.384","0.016","74.384","0.015","1007","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Niclosamide-p-aminobenzoic acid","2,5-dichloro-4-nitrosalicylanilide,p-aminobenzoic acid ?","","- C20 H15 Cl2 N3 O6 -","- C20 H15 Cl2 N3 O6 -","- C40 H30 Cl4 N6 O12 -","2","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.0857","0.0386","","","0.0763","0.0861","","","","","","0.857","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506751","9.1371","0.0007","10.8809","0.0009","22.4497","0.0017","90","","99.924","0.008","90","","2198.6","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Niclosamide-theophylline","2,5-dichloro-4-nitrosalicylanilide, 1,3-dimethyl-7H-purine-2,6-dione ?","","- C20 H16 Cl2 N6 O6 -","- C20 H16 Cl2 N6 O6 -","- C80 H64 Cl8 N24 O24 -","4","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.1273","0.0614","","","0.1032","0.1358","","","","","","0.998","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506752","8.579","0.003","10.733","0.004","13.216","0.005","105.579","0.006","94.104","0.006","96.024","0.006","1159.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Niclosamide-theophylline-acetonitrile solvate","2,5-dichloro-4-nitrosalicylanilide, 1,3-dimethyl-7H-purine-2,6-dione, acetonitrile solvate ?","","- C22 H19 Cl2 N7 O6 -","- C22 H19 Cl2 N7 O6 -","- C44 H38 Cl4 N14 O12 -","2","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.096","0.0526","","","0.1394","0.1728","","","","","","1.092","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506753","11.1272","0.001","16.9312","0.0014","8.5708","0.0007","90","","93.312","0.001","90","","1612","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Niclosamide-urea","2,5-dichloro-4-nitrosalicylanilide, urea ?","","- C14 H12 Cl2 N4 O5 -","- C14 H12 Cl2 N4 O5 -","- C56 H48 Cl8 N16 O20 -","4","1","","Sanphui, Palash; Kumar, S. Sudalai; Nangia, Ashwini","Pharmaceutical Cocrystals of Niclosamide","Crystal Growth & Design","2012","12","9","4588","","10.1021/cg300784v","","","0.71073","MoKα","","0.0334","0.0313","","","0.0766","0.0782","","","","","","1.069","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506754","30.5283","0.0002","30.5283","0.0002","14.0942","0.0001","90","","90","","90","","13135.5","0.15","93.1","","296.1","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C39 H30 Cl3 N O3 S -","- C39 H30 Cl3 N O3 S -","- C624 H480 Cl48 N16 O48 S16 -","16","1","","Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu","Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures","Crystal Growth & Design","2012","12","9","4600","","10.1021/cg300796u","","","0.7","synchrotron","","","0.0684","","","","0.1769","","","","","","1.049","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506755","27.0647","0.0006","27.0647","0.0006","35.4072","0.0009","90","","90","","90","","25935.7","1","296.1","","296.1","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C79 H66 N2 O6 S2 -","- C79 H66 N2 O6 S2 -","- C1264 H1056 N32 O96 S32 -","16","1","","Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu","Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures","Crystal Growth & Design","2012","12","9","4600","","10.1021/cg300796u","","","1.54178","CuKα","","","0.1143","","","","0.3598","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506756","26.173","","31.957","0.0001","32.739","0.0001","90","","111.62","0.0001","90","","25456.8","0.11","93.1","","296.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N O3 S -","- C33 H27 N O3 S -","- C1056 H864 N32 O96 S32 -","32","8","","Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu","Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures","Crystal Growth & Design","2012","12","9","4600","","10.1021/cg300796u","","","0.7","synchrotron","","","0.0846","","","","0.2682","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506757","31.2919","0.0006","41.6841","0.0008","31.9775","0.0006","90","","90.757","0.001","90","","41707","1.4","123.1","","296.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 N O3 S -","- C33 H26.8333 N O3 S -","- C1584 H1288 N48 O144 S48 -","48","12","","Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu","Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures","Crystal Growth & Design","2012","12","9","4600","","10.1021/cg300796u","","","1.54178","CuKα","","","0.1047","","","","0.2678","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506758","31.2919","0.0006","41.6841","0.0008","31.9775","0.0006","90","","90.757","0.0008","90","","41707","1.4","123.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C504 H468 N12 O36 S12 -","- C513 H480 N12 O36 S12 -","- C2052 H1920 N48 O144 S48 -","4","1","","Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu","Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures","Crystal Growth & Design","2012","12","9","4600","","10.1021/cg300796u","","","1.54187","CuKα","","","0.1335","","","","0.432","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506759","14.7453","0.0011","7.6151","0.0006","23.8558","0.0017","90","","102.432","0.001","90","","2615.9","0.3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H17 Co F6 N2 O4 -","- C26 H17 Co F6 N2 O4 -","- C104 H68 Co4 F24 N8 O16 -","4","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.0658","0.055","","","0.1216","0.1284","","","","","","0.991","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506760","7.5262","0.0007","23.884","0.002","14.489","0.002","90","","105.395","0.01","90","","2511","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 Co F6 N2 O4 -","- C26 H16 Co F6 N2 O4 -","- C104 H64 Co4 F24 N8 O16 -","4","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.1394","0.0719","","","0.1187","0.1451","","","","","","1.031","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506761","13.8015","0.0018","9.1393","0.0012","17.045","0.002","90","","111.037","0.002","90","","2006.7","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Co N2 O5 -","- C23 H17 Co N2 O5 -","- C92 H68 Co4 N8 O20 -","4","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.0646","0.0566","","","0.1388","0.1443","","","","","","1.119","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506762","12.426","0.004","9.771","0.003","25.202","0.008","90","","92.962","0.005","90","","3055.8","1.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Co N4 O6 -","- C32 H26 Co N4 O6 -","- C128 H104 Co4 N16 O24 -","4","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.0874","0.0636","","","0.1431","0.155","","","","","","1.1","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506763","10.783","0.002","9.897","0.002","15.585","0.003","90","","95.36","0.03","90","","1655.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Co N2 O4 -","- C19 H17 Co N2 O4 -","- C76 H68 Co4 N8 O16 -","4","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.0317","0.0298","","","0.0744","0.0755","","","","","","1.048","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506764","10.7107","0.0008","11.0699","0.0008","13.0452","0.001","101.866","0.001","104.002","0.001","110.698","0.001","1329.72","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 Co N4 O6 -","- C28 H30 Co N4 O6 -","- C56 H60 Co2 N8 O12 -","2","1","","Manna, Paulami; Tripuramallu, Bharat Kumar; Das, Samar K.","Synthesis, Structural Characterization, and Magnetic Properties of a New Series of Coordination Polymers: Importance of Steric Hindrance at the Coordination Sphere","Crystal Growth & Design","2012","12","9","4607","","10.1021/cg300800h","","","0.71073","MoKα","","0.046","0.041","","","0.1011","0.1043","","","","","","1.058","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506765","9.2407","0.0014","15.876","0.002","15.9418","0.0018","90","","110.773","0.007","90","","2186.7","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H48 Co2 N8 O14 -","- C40 H48 Co2 N8 O14 -","- C80 H96 Co4 N16 O28 -","2","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.0755","0.0593","","","0.1667","0.1759","","","","","","1.031","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4506766","17.881","0.007","15.27","0.006","14.857","0.006","90","","105.82","0.007","90","","3903","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 N11 O10 Zn2 -","- C35 H35 N11 O10 Zn2 -","- C140 H140 N44 O40 Zn8 -","4","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.0954","0.0852","","","0.1979","0.2022","","","","","","1.133","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4506767","9.2708","0.0009","16.9735","0.0017","15.3137","0.0015","90","","103.345","0.002","90","","2344.7","0.4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H46 Cd2 N8 O13 -","- C40 H46 Cd2 N8 O13 -","- C80 H92 Cd4 N16 O26 -","2","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.0646","0.0493","","","0.1364","0.143","","","","","","0.97","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4506768","9.134","0.002","13.201","0.003","19.206","0.004","90.485","0.004","98.302","0.004","100.789","0.004","2249.5","0.9","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 N8 O9 Zn2 -","- C40 H26 N8 O9 Zn2 -","- C80 H52 N16 O18 Zn4 -","2","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.1012","0.0718","","","0.1973","0.2424","","","","","","1.061","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4506769","9.9944","0.0015","17.032","0.003","14.414","0.002","90","","90.697","0.003","90","","2453.4","0.7","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H31 Cd2 N9 O10 -","- C42 H31 Cd2 N9 O10 -","- C84 H62 Cd4 N18 O20 -","2","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.0554","0.0498","","","0.1741","0.1831","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506770","10.7882","0.0015","13.0533","0.0018","13.0557","0.0018","86.458","0.002","87.243","0.002","79.259","0.002","1801.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H74 Co2 N8 O15 -","- C80 H74 Co2 N8 O15 -","- C80 H74 Co2 N8 O15 -","1","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.038","0.0342","","","0.0883","0.0902","","","","","","1.06","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4506771","14.1863","0.0018","21.024","0.003","11.607","0.0015","90","","94.39","0.002","90","","3451.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Co N4 O8 -","- C40 H32 Co N4 O8 -","- C160 H128 Co4 N16 O32 -","4","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen","Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands","Crystal Growth & Design","2012","12","10","4911","","10.1021/cg300803n","","","0.71073","MoKα","","0.0594","0.0513","","","0.1609","0.166","","","","","","1.097","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4506772","9.73","0.007","10.19","0.005","19.529","0.006","78.011","0.005","80.4","0.008","87.705","0.007","1867.5","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H90 Co3 N8 O30 -","- C64 H70 Co3 N8 O30 -","- C64 H70 Co3 N8 O30 -","1","0.5","","Ahmad, Musheer; Das, Raja; Lama, Prem; Poddar, Pankaj; Bharadwaj, Parimal K.","Synthesis, Characterization, and Magnetic Studies of Coordination Polymers with Co(II) and Mn(II) Ions","Crystal Growth & Design","2012","12","9","4624","","10.1021/cg300829c","","","0.71073","MoKα","","0.0915","0.0618","","","0.1423","0.1694","","","","","","1.03","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506773","7.341","0.004","9.823","0.006","13.683","0.005","90.119","0.003","90.245","0.006","104.146","0.005","956.8","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Co N2 O8 -","- C21 H16 Co N2 O8 -","- C42 H32 Co2 N4 O16 -","2","1","","Ahmad, Musheer; Das, Raja; Lama, Prem; Poddar, Pankaj; Bharadwaj, Parimal K.","Synthesis, Characterization, and Magnetic Studies of Coordination Polymers with Co(II) and Mn(II) Ions","Crystal Growth & Design","2012","12","9","4624","","10.1021/cg300829c","","","0.71073","MoKα","","0.099","0.0784","","","0.1931","0.2135","","","","","","1.031","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506774","8.28","0.006","10.184","0.005","15.679","0.004","81.102","0.003","85.719","0.005","74.985","0.006","1260.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 Co3 N2 O28 -","- C42 H42 Co3 N2 O28 -","- C42 H42 Co3 N2 O28 -","1","0.5","","Ahmad, Musheer; Das, Raja; Lama, Prem; Poddar, Pankaj; Bharadwaj, Parimal K.","Synthesis, Characterization, and Magnetic Studies of Coordination Polymers with Co(II) and Mn(II) Ions","Crystal Growth & Design","2012","12","9","4624","","10.1021/cg300829c","","","0.71073","MoKα","","0.0809","0.0593","","","0.1552","0.1933","","","","","","1.051","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506775","19.194","0.006","10.022","0.004","21.904","0.005","90","","90.194","0.005","90","","4213","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H39 Mn3 N3 O17 -","- C41 H39 Mn3 N3 O17 -","- C164 H156 Mn12 N12 O68 -","4","0.5","","Ahmad, Musheer; Das, Raja; Lama, Prem; Poddar, Pankaj; Bharadwaj, Parimal K.","Synthesis, Characterization, and Magnetic Studies of Coordination Polymers with Co(II) and Mn(II) Ions","Crystal Growth & Design","2012","12","9","4624","","10.1021/cg300829c","","","0.71073","MoKα","","0.0716","0.05","","","0.1206","0.16","","","","","","1.12","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506776","15.635","0.002","19.086","0.002","34.414","0.004","102.069","0.006","95.145","0.006","96.104","0.006","9919","2","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","three-butanol solvate di-cloroform solvate monohydrate","","- C167 H211 Cl9 N32 O76 -","- C167 H211 Cl9 N32 O76 -","- C334 H422 Cl18 N64 O152 -","2","1","","Beyeh, N. Kodiah; Cetina, Mario; Rissanen, Kari","Binding Modes of Nonspherical Anions toN-Alkylammonium Resorcinarenes in the Solid State","Crystal Growth & Design","2012","12","10","4919","","10.1021/cg3008409","","x-ray","1.54184","CuKα","","0.225","0.1438","","","0.3655","0.4294","","","","","","1.015","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506777","18.8851","0.0006","21.7869","0.0006","21.9992","0.0007","100.15","0.001","107.61","0.002","111.825","0.002","7570.7","0.4","123","2","123","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C138 H207 N21 O40 -","- C138 H207 N21 O40 -","- C276 H414 N42 O80 -","2","1","","Beyeh, N. Kodiah; Cetina, Mario; Rissanen, Kari","Binding Modes of Nonspherical Anions toN-Alkylammonium Resorcinarenes in the Solid State","Crystal Growth & Design","2012","12","10","4919","","10.1021/cg3008409","","x-ray","1.54184","CuKα","","0.1296","0.0933","","","0.2676","0.3007","","","","","","0.977","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506778","19.0473","0.0003","14.0303","0.0002","26.9299","0.0005","90","","96.56","0.001","90","","7149.6","0.2","123","0.1","123","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H108 N8 O24 -","- C66 H108 N8 O24 -","- C264 H432 N32 O96 -","4","1","","Beyeh, N. Kodiah; Cetina, Mario; Rissanen, Kari","Binding Modes of Nonspherical Anions toN-Alkylammonium Resorcinarenes in the Solid State","Crystal Growth & Design","2012","12","10","4919","","10.1021/cg3008409","","x-ray","0.71073","MoKα","","0.1308","0.0805","","","0.1622","0.2031","","","","","","0.972","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506779","33.447","0.0009","24.8056","0.0009","25.2165","0.0008","90","","128.917","0.001","90","","16278.1","0.9","123","2","123","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","di-dichloromethane solvate","","- C68.85 H98 Cl7.15 F8.55 N4 O16.55 S2.85 -","- C68.85 H98 Cl7.15 F8.55 N4 O16.55 S2.85 -","- C550.8 H784 Cl57.2 F68.4 N32 O132.4 S22.8 -","8","1","","Beyeh, N. Kodiah; Cetina, Mario; Rissanen, Kari","Binding Modes of Nonspherical Anions toN-Alkylammonium Resorcinarenes in the Solid State","Crystal Growth & Design","2012","12","10","4919","","10.1021/cg3008409","","x-ray","1.54184","CuKα","","0.1747","0.1367","","","0.419","0.4653","","","","","","1","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506780","7.123","0.003","13.896","0.005","15.893","0.006","90","","90","","90","","1573.1","1.1","296","2","296","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cd Cl N2 O3 -","- C12 H17 Cd Cl N2 O3 -","- C48 H68 Cd4 Cl4 N8 O12 -","4","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0475","0.0434","","","0.1059","0.1079","","","","","","1.033","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506781","7.2398","0.0006","13.7041","0.0011","16.5286","0.0013","90","","90","","90","","1639.9","0.2","296","2","296","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Br Cd N2 O2 -","- C12 H17 Br Cd N2 O2 -","- C48 H68 Br4 Cd4 N8 O8 -","4","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0461","0.0421","","","0.13","0.1342","","","","","","1.066","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506782","5.8751","0.0017","15.067","0.004","16.416","0.005","90","","90","","90","","1453.1","0.7","296","2","296","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Cd Cl N2 O4 -","- C9 H11 Cd Cl N2 O4 -","- C36 H44 Cd4 Cl4 N8 O16 -","4","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0341","0.0336","","","0.0952","0.0956","","","","","","1.097","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506783","9.4628","0.0012","15.19","0.0019","10.0319","0.0012","90","","110.63","0.002","90","","1349.5","0.3","296","2","296","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C18 H21 Br2 Cd2 N4 O9 -","- C18 H21 Br2 Cd2 N4 O9 -","- C36 H42 Br4 Cd4 N8 O18 -","2","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0506","0.0485","","","0.1325","0.1344","","","","","","1.067","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506784","7.906","0.0007","10.7338","0.001","8.9647","0.0008","90","","110.528","0.001","90","","712.45","0.11","296","2","296","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C10 H13 Cd Cl N2 O5 -","- C10 H13 Cd Cl N2 O5 -","- C20 H26 Cd2 Cl2 N4 O10 -","2","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.019","0.0189","","","0.0501","0.0501","","","","","","1.021","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506785","7.9689","0.0012","10.7406","0.0015","8.9501","0.0013","90","","110.444","0.002","90","","717.8","0.18","296","2","296","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C10 H12 Br Cd N2 O5 -","- C10 H12 Br Cd N2 O5 -","- C20 H24 Br2 Cd2 N4 O10 -","2","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.063","0.0625","","","0.1446","0.145","","","","","","1.081","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506786","8.619","0.002","17.818","0.006","18.385","0.006","95.672","0.014","102.223","0.01","101.053","0.01","2679.5","1.4","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H116 Eu2 N12 O40 Zn3 -","- C54 H84 Eu2 N12 O40 Zn3 -","- C54 H84 Eu2 N12 O40 Zn3 -","1","0.5","","Zhu, Xian-Dong; Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Cao, Rong","Two Novel 3d-4f Heterometallic Frameworks Assembled from a Flexible Bifunctional Macrocyclic Ligand","Crystal Growth & Design","2012","12","10","4708","","10.1021/cg300848f","","","0.71073","MoKα","","0.084","0.067","","","0.1892","0.2098","","","","","","1.038","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506787","8.8492","0.0009","17.245","0.002","17.791","0.002","115.275","0.003","95.662","0.003","103.865","0.003","2320.2","0.5","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H100 Cu3 Gd2 N12 O32 -","- C54 H84 Cu3 Gd2 N12 O32 -","- C54 H84 Cu3 Gd2 N12 O32 -","1","0.5","","Zhu, Xian-Dong; Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Cao, Rong","Two Novel 3d-4f Heterometallic Frameworks Assembled from a Flexible Bifunctional Macrocyclic Ligand","Crystal Growth & Design","2012","12","10","4708","","10.1021/cg300848f","","","0.71073","MoKα","","0.1088","0.0801","","","0.2069","0.2359","","","","","","1.055","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506788","5.1044","0.0003","5.5593","0.0003","8.4574","0.0005","89.989","0.003","85.615","0.003","71.995","0.003","227.5","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H4 O6 U -","- C8 H4 O6 U -","- C8 H4 O6 U -","1","0.5","","Mihalcea, Ionut; Henry, Natacha; Bousquet, Till; Volkringer, Christophe; Loiseau, Thierry","Six-Fold Coordinated Uranyl Cations in Extended Coordination Polymers","Crystal Growth & Design","2012","12","9","4641","","10.1021/cg300853f","","","0.71073","MoKα","","0.0162","0.016","","","0.0381","0.0383","","","","","","1.129","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506789","9.0105","0.0002","14.4741","0.0003","5.3067","0.0001","90","","103.364","0.001","90","","673.35","0.02","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C14 H8 O6 U -","- C14 H8 O6 U -","- C28 H16 O12 U2 -","2","0.25","","Mihalcea, Ionut; Henry, Natacha; Bousquet, Till; Volkringer, Christophe; Loiseau, Thierry","Six-Fold Coordinated Uranyl Cations in Extended Coordination Polymers","Crystal Growth & Design","2012","12","9","4641","","10.1021/cg300853f","","","0.71073","MoKα","","0.0231","0.0219","","","0.0448","0.0451","","","","","","1.121","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506790","5.1366","0.001","5.6106","0.0011","12.944","0.002","95.95","0.01","90.627","0.01","107.037","0.011","354.41","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 N2 O6 U -","- C14 H8 N2 O6 U -","- C14 H8 N2 O6 U -","1","0.5","","Mihalcea, Ionut; Henry, Natacha; Bousquet, Till; Volkringer, Christophe; Loiseau, Thierry","Six-Fold Coordinated Uranyl Cations in Extended Coordination Polymers","Crystal Growth & Design","2012","12","9","4641","","10.1021/cg300853f","","","0.71073","MoKα","","0.0187","0.0187","","","0.0445","0.0445","","","","","","1.096","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506791","6.3566","0.0002","8.4626","0.0002","16.7062","0.0004","90","","94.03","0.001","90","","896.46","0.04","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 O6 U -","- C8 H4 O6 U -","- C32 H16 O24 U4 -","4","0.5","","Mihalcea, Ionut; Henry, Natacha; Bousquet, Till; Volkringer, Christophe; Loiseau, Thierry","Six-Fold Coordinated Uranyl Cations in Extended Coordination Polymers","Crystal Growth & Design","2012","12","9","4641","","10.1021/cg300853f","","","0.71073","MoKα","","0.0238","0.0146","","","0.0373","0.0433","","","","","","0.955","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506792","7.3","0.009","19.11","0.02","34.17","0.04","90","","90","","90","","4767","10","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C216 H164 Co8 N16 O52 -","- C216 H164 Co8 N16 O52 -","- C216 H164 Co8 N16 O52 -","1","0.125","","Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya","Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands","Crystal Growth & Design","2012","12","9","4649","","10.1021/cg3008602","","","0.71073","MoKα","","0.1402","0.1091","","","0.2297","0.2479","","","","","","1.06","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506793","9.909","0.004","11.997","0.002","12.106","0.002","119.497","0.002","97.858","0.003","103.503","0.003","1162.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Co N2 O7 -","- C27 H20 Co N2 O7 -","- C54 H40 Co2 N4 O14 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya","Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands","Crystal Growth & Design","2012","12","9","4649","","10.1021/cg3008602","","","0.71073","MoKα","","0.0961","0.0611","","","0.1615","0.1845","","","","","","1.046","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506794","19.623","0.009","12.731","0.006","11.297","0.005","90","","116.725","0.005","90","","2521","2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H22 N2 Ni O7 -","- C27 H22 N2 Ni O7 -","- C108 H88 N8 Ni4 O28 -","4","1","","Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya","Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands","Crystal Growth & Design","2012","12","9","4649","","10.1021/cg3008602","","","0.71073","MoKα","","0.0933","0.0631","","","0.157","0.1803","","","","","","1.017","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506795","9.503","0.009","11.211","0.01","20.271","0.018","76.345","0.012","86.308","0.012","83.617","0.012","2084","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H38 Mn3 N2 O17 -","- C43 H38 Mn3 N2 O17 -","- C86 H76 Mn6 N4 O34 -","2","1","","Chang, Xin-Hong; Qin, Jian-Hua; Ma, Lu-Fang; Wang, Jian-Ge; Wang, Li-Ya","Two- and Three-Dimensional Divalent Metal Coordination Polymers Constructed from a New Tricarboxylate Linker and Dipyridyl Ligands","Crystal Growth & Design","2012","12","9","4649","","10.1021/cg3008602","","","0.71073","MoKα","","0.1309","0.0675","","","0.1605","0.1975","","","","","","1.023","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506796","10.3375","0.0006","15.2574","0.0015","15.087","0.0015","90","","91.745","0.007","90","","2378.5","0.4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Co2 N8 O18 -","- C42 H50 Co2 N8 O18 -","- C84 H100 Co4 N16 O36 -","2","1","","Lisnard, Laurent; Chamoreau, Lise-Marie; Li, Yanling; Journaux, Yves","Solvothermal Synthesis of Oxamate-Based Helicate: Temperature Dependence of the Hydrogen Bond Structuring in the Solid","Crystal Growth & Design","2012","12","10","4955","","10.1021/cg300877r","","x-ray","0.71073","Mokα","","0.0711","0.0422","","","0.0868","0.0955","","","","","","1","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506797","17.527","0.002","17.527","0.002","46.452","0.007","90","","90","","120","","12358","3","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C51 H91 Co2 N11 O31 -","- C51 H18 Co2 N11 O31 -","- C306 H108 Co12 N66 O186 -","6","0.166667","","Lisnard, Laurent; Chamoreau, Lise-Marie; Li, Yanling; Journaux, Yves","Solvothermal Synthesis of Oxamate-Based Helicate: Temperature Dependence of the Hydrogen Bond Structuring in the Solid","Crystal Growth & Design","2012","12","10","4955","","10.1021/cg300877r","","","0.71073","MoKα","","0.1257","0.0849","","","0.2619","0.2981","","","","","","1.135","","","","has coordinates,has disorder","179603","2020-10-21","18:00:00",""
"4506798","9.1485","0.0018","9.4656","0.0019","9.903","0.002","107.39","0.03","98.66","0.03","97.17","0.03","795.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1 Cocrystal of nitrofurantoin and 3-aminobenzoic acid","1:1 Cocrystal of nitrofurantoin and 3-aminobenzoic acid","","- C15 H13 N5 O7 -","- C15 H13 N5 O7 -","- C30 H26 N10 O14 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.0654","0.0549","","","0.1207","0.1268","","","","","","1.149","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506799","6.7539","0.0014","7.4546","0.0015","16.032","0.003","92.64","0.03","91.81","0.03","102.47","0.03","786.6","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1 Cocrystal of nitrofurantoin and 4-aminobenzoic acid","1:1 Cocrystal of nitrofurantoin and 4-aminobenzoic acid","","- C15 H13 N5 O7 -","- C15 H13 N5 O7 -","- C30 H26 N10 O14 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.0603","0.0524","","","0.1221","0.1319","","","","","","1.145","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506800","6.81","0.002","15.644","0.005","21.12","0.007","90","","93.26","0.007","90","","2246.4","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:2 Cocrystal of nitrofurantoin and 4-hydroxybenzamide","1:2 Cocrystal of nitrofurantoin and 4-hydroxybenzamide","","- C22 H20 N6 O9 -","- C22 H20 N6 O9 -","- C88 H80 N24 O36 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.1498","0.1147","","","0.2619","0.2796","","","","","","1.146","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506801","6.6779","0.0013","13.648","0.003","14.003","0.004","90","","110.95","0.03","90","","1191.9","0.5","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 cocrystal of nitrofurantoin and urea","1:1 cocrystal of nitrofurantoin and urea","","- C9 H10 N6 O6 -","- C9 H10 N6 O6 -","- C36 H40 N24 O24 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.041","0.0403","","","0.0951","0.0958","","","","","","1.114","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506802","8.7234","0.0017","9.969","0.002","11.547","0.002","65.43","0.03","86.27","0.03","84.23","0.03","908.3","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","1:1 Cocrystal of nitrofurantoin and phenazine (two half molecules)","","- C20 H14 N6 O5 -","- C20 H14 N6 O5 -","- C40 H28 N12 O10 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.1024","0.0891","","","0.1853","0.1943","","","","","","1.218","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506803","6.8748","0.0014","10.541","0.002","11.088","0.002","75.64","0.03","82.27","0.03","84.85","0.03","770","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1:1 Cocrystal of nitrofurantoin, melamine and water","1:1:1 Cocrystal of nitrofurantoin, melamine and water","","- C11 H14 N10 O6 -","- C11 H14 N10 O6 -","- C22 H28 N20 O12 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.0378","0.0358","","","0.0897","0.0946","","","","","","1.098","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506804","31.804","0.006","6.7822","0.0014","13.672","0.003","90","","99.86","0.03","90","","2905.5","1.1","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1:1/2:1 Cocrystal of nitrofurantoin, 4,4'-bipyridyl and water","1:0.5:1 Cocrystal of nitrofurantoin, 4,4'-bipyridyl and water","","- C13 H12 N5 O6 -","- C13 H12 N5 O6 -","- C104 H96 N40 O48 -","8","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.0686","0.0672","","","0.1533","0.1544","","","","","","1.241","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506805","6.4093","0.0013","13.597","0.003","19.138","0.004","106.54","0.03","93.68","0.03","100.76","0.03","1558.5","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1:1 Cocrystal of nitrofurantoin, 4,4'-bipyridyl ethane and water","1:0.5:1 Cocrystal of nitrofurantoin, 4,4'-bipyridyl ethane and water","","- C28 H28 N10 O12 -","- C28 H28 N10 O12 -","- C56 H56 N20 O24 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties","Crystal Growth & Design","2012","12","12","5925","","10.1021/cg300887p","","","0.71073","MoKα","","0.0949","0.0783","","","0.1764","0.1885","","","","","","1.203","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506806","3.9626","0.0001","6.2888","0.0002","16.5205","0.0005","90","","94.462","0.002","90","","410.44","0.02","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C9 H7 N3 O2 -","- C9 H7 N3 O2 -","- C18 H14 N6 O4 -","2","1","","Wang, Yu-Ling; Fu, Jiang-Hong; Wei, Jia-Jia; Xu, Xiang; Li, Xin-Fa; Liu, Qing-Yan","Noncentrosymmetric Organic Solid and Its Zinc Coordination Polymer with Diamonded Network Prepared from an Ionothermal Reaction: Syntheses, Crystal Structures, and Second-Order Nonlinear Optics Properties","Crystal Growth & Design","2012","12","9","4663","","10.1021/cg300889x","","","0.71073","MoKα","","0.041","0.0331","","","0.0773","0.0832","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506807","12.4567","0.0016","20.188","0.003","8.1381","0.001","90","","115.55","0.001","90","","1846.4","0.4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H12 N6 O4 Zn -","- C18 H12 N6 O4 Zn -","- C72 H48 N24 O16 Zn4 -","4","1","","Wang, Yu-Ling; Fu, Jiang-Hong; Wei, Jia-Jia; Xu, Xiang; Li, Xin-Fa; Liu, Qing-Yan","Noncentrosymmetric Organic Solid and Its Zinc Coordination Polymer with Diamonded Network Prepared from an Ionothermal Reaction: Syntheses, Crystal Structures, and Second-Order Nonlinear Optics Properties","Crystal Growth & Design","2012","12","9","4663","","10.1021/cg300889x","","","0.71073","MoKα","","0.0347","0.0291","","","0.0687","0.0716","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506808","10.0985","0.0016","7.0684","0.0014","15.296","0.002","90","","96.282","0.014","90","","1085.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini","Polymorphs and Cocrystals of Nalidixic Acid","Crystal Growth & Design","2012","12","10","4963","","10.1021/cg300895c","","","0.71073","MoKα","","0.1543","0.0618","","","0.0833","0.1017","","","","","","0.889","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506809","7.581","0.005","8.673","0.006","13.437","0.012","74.23","0.01","84.306","0.015","74.627","0.011","819.5","1.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C36 H36 N4 O10 -","2","1","","Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini","Polymorphs and Cocrystals of Nalidixic Acid","Crystal Growth & Design","2012","12","10","4963","","10.1021/cg300895c","","","0.71073","MoKα","","0.0582","0.0503","","","0.1237","0.1299","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506810","7.559","0.004","9.765","0.004","10.036","0.004","87.82","0.03","87.78","0.04","67.56","0.04","684","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N2 O4 -","- C15 H15 N2 O4 -","- C30 H30 N4 O8 -","2","1","","Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini","Polymorphs and Cocrystals of Nalidixic Acid","Crystal Growth & Design","2012","12","10","4963","","10.1021/cg300895c","","","0.71073","MoKα","","0.1293","0.0637","","","0.1129","0.1488","","","","","","1.009","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506811","33.756","0.005","7.189","0.0011","14.479","0.002","90","","106.874","0.016","90","","3362.4","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N4 O13 -","- C36 H38 N4 O13 -","- C144 H152 N16 O52 -","4","0.5","","Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini","Polymorphs and Cocrystals of Nalidixic Acid","Crystal Growth & Design","2012","12","10","4963","","10.1021/cg300895c","","","0.71073","MoKα","","0.091","0.0609","","","0.1325","0.1539","","","","","","1.056","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506812","7.9735","0.0011","8.0661","0.0011","25.497","0.003","90","","90","","90","","1639.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","","Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini","Polymorphs and Cocrystals of Nalidixic Acid","Crystal Growth & Design","2012","12","10","4963","","10.1021/cg300895c","","","0.71073","MoKα","","0.074","0.0522","","","0.0961","0.1047","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506813","11.121","0.0003","13.16","0.0003","18.9759","0.0004","80.715","0.001","75.251","0.001","65.589","0.001","2440.6","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 Ag Cl O8 S2 -","- C22 H28 Ag Cl O8 S2 -","- C88 H112 Ag4 Cl4 O32 S8 -","4","2","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.0582","0.0479","","","0.1253","0.1332","","","","","","1.037","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506814","11.9045","0.0007","17.2799","0.0011","12.1947","0.0007","90","","90","","90","","2508.6","0.3","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H28 Hg N2 O10 S2 -","- C22 H28 Hg N2 O10 S2 -","- C88 H112 Hg4 N8 O40 S8 -","4","0.5","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.0433","0.0353","","","0.0916","0.1002","","","","","","1.077","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506815","13.6967","0.0003","8.7888","0.0002","20.5805","0.0005","90","","103.447","0.001","90","","2409.51","0.1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl2 O4 Pd S2 -","- C22 H28 Cl2 O4 Pd S2 -","- C88 H112 Cl8 O16 Pd4 S8 -","4","1","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.0296","0.0239","","","0.0572","0.0603","","","","","","1.045","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506816","10.3496","0.0006","12.182","0.0007","23.522","0.0013","84.168","0.002","79.867","0.002","73.06","0.002","2788.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H68 Ag2 Cl2 N2 O16 S4 -","- C50 H68 Ag2 Cl2 N2 O16 S4 -","- C100 H136 Ag4 Cl4 N4 O32 S8 -","2","1","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.1039","0.0892","","","0.2974","0.312","","","","","","1.078","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506817","12.5298","0.0003","14.3683","0.0003","18.2953","0.0004","83.004","0.001","88.88","0.001","72.618","0.001","3119.43","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H71 Ag2 Cl2 N3 O17 S4 -","- C57 H71 Ag2 Cl2 N3 O17 S4 -","- C114 H142 Ag4 Cl4 N6 O34 S8 -","2","1","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.0459","0.0377","","","0.098","0.1058","","","","","","1.026","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506818","14.8227","0.0003","20.0735","0.0005","22.3386","0.0006","90","","105.791","0.002","90","","6395.9","0.3","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C58 H72 Ag2 Cl2 N4 O16 S4 -","- C58 H72 Ag2 Cl2 N4 O16 S4 -","- C232 H288 Ag8 Cl8 N16 O64 S16 -","4","0.5","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.1083","0.0615","","","0.1664","0.1919","","","","","","1.038","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506819","11.5178","0.001","11.541","0.0009","25.014","0.002","84.761","0.005","81.272","0.005","66.153","0.004","3004.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 Br Cl4 Cu O4 S2 -","- C24 H32 Br Cl4 Cu O4 S2 -","- C96 H128 Br4 Cl16 Cu4 O16 S8 -","4","2","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.1965","0.1787","","","0.4197","0.4266","","","","","","1.16","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506820","8.9977","0.0005","12.3432","0.0006","12.9714","0.0007","92.409","0.002","109.082","0.002","92.67","0.002","1357.47","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Ag2 N2 O4 S4 -","- C24 H28 Ag2 N2 O4 S4 -","- C48 H56 Ag4 N4 O8 S8 -","2","1","","Ju, Huiyeong; Lee, Shim Sung","Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures","Crystal Growth & Design","2012","12","10","4972","","10.1021/cg3008987","","","0.71073","MoKα","","0.0315","0.0275","","","0.0714","0.0747","","","","","","1.032","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506821","6.8839","0.0015","8.8678","0.0019","10.965","0.002","90.466","0.003","102.738","0.003","101.102","0.003","639.8","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H12 N4 -","- C15 H12 N4 -","- C30 H24 N8 -","2","1","","Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia","Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction","Crystal Growth & Design","2012","12","11","5338","","10.1021/cg300900m","","","0.71073","MoKα","","0.0838","0.0424","","","0.0967","0.1167","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506822","12.5956","0.0017","13.2999","0.0018","9.7711","0.0013","90","","101.025","0.002","90","","1606.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O4 Pb -","- C15 H12 N2 O4 Pb -","- C60 H48 N8 O16 Pb4 -","4","1","","Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia","Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction","Crystal Growth & Design","2012","12","11","5338","","10.1021/cg300900m","","","0.71073","MoKα","","0.041","0.0284","","","0.0676","0.0716","","","","","","1.03","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506823","14.2347","0.0012","19.772","0.002","10.8817","0.001","90","","90","","90","","3062.6","0.5","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H12 N2 O4 Pb -","- C15 H12 N2 O4 Pb -","- C120 H96 N16 O32 Pb8 -","8","0.5","","Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia","Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction","Crystal Growth & Design","2012","12","11","5338","","10.1021/cg300900m","","","0.71073","MoKα","","0.0322","0.0254","","","0.0513","0.0532","","","","","","1.063","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506824","22.976","0.013","19.587","0.011","10.776","0.006","90","","101.912","0.007","90","","4745","5","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C45 H36 N6 O12 Pb3 -","- C45 H36 N6 O12 Pb3 -","- C180 H144 N24 O48 Pb12 -","4","0.5","","Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia","Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction","Crystal Growth & Design","2012","12","11","5338","","10.1021/cg300900m","","","0.71073","MoKα","","0.0657","0.0482","","","0.1243","0.1327","","","","","","1.074","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506825","11.795","0.002","13.2729","0.0011","13.9455","0.0012","118.039","0.001","105.782","0.001","92.554","0.001","1815.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N4 O10 Pb2 -","- C30 H28 N4 O10 Pb2 -","- C60 H56 N8 O20 Pb4 -","2","1","","Deng, Dongsheng; Liu, Leilei; Ji, Bao-Ming; Yin, Guojie; Du, Chenxia","Temperature, Cooling Rate, and Additive-Controlled Supramolecular Isomerism in Four Pb(II) Coordination Polymers with an in Situ Ligand Transformation Reaction","Crystal Growth & Design","2012","12","11","5338","","10.1021/cg300900m","","","0.71073","MoKα","","0.036","0.0273","","","0.063","0.0656","","","","","","1.083","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506826","9.6541","0.0004","23.3402","0.001","18.1468","0.0008","90","","90.709","0.001","90","","4088.7","0.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 O24 P4 U2 Zn2 -","- C28 H24 N4 O24 P4 U2 Zn2 -","- C112 H96 N16 O96 P16 U8 Zn8 -","4","1","","Wu, Hong-Yue; Yang, Weiting; Sun, Zhong-Ming","Tailor-Made Zinc Uranyl Diphosphonates from Layered to Framework Structures","Crystal Growth & Design","2012","12","9","4669","","10.1021/cg300903w","","","0.71073","MoKα","","0.0603","0.0408","","","0.0789","0.0851","","","","","","1.045","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506827","18.0978","0.0013","21.7894","0.0016","9.6388","0.0007","90","","90","","90","","3801","0.5","273","2","273","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H24 N4 O20 P4 U2 Zn2 -","- C24 H24 N4 O20 P4 U2 Zn2 -","- C96 H96 N16 O80 P16 U8 Zn8 -","4","1","","Wu, Hong-Yue; Yang, Weiting; Sun, Zhong-Ming","Tailor-Made Zinc Uranyl Diphosphonates from Layered to Framework Structures","Crystal Growth & Design","2012","12","9","4669","","10.1021/cg300903w","","","0.71073","MoKα","","0.0814","0.0522","","","0.1221","0.1391","","","","","","1.046","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506828","9.7111","0.0005","16.7387","0.0008","18.0226","0.0008","90","","90.29","0.001","90","","2929.6","0.2","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N2 O24 P4 U2 Zn0.5 -","- C11 H17 N2 O24 P4 U2 Zn0.5 -","- C44 H68 N8 O96 P16 U8 Zn2 -","4","1","","Wu, Hong-Yue; Yang, Weiting; Sun, Zhong-Ming","Tailor-Made Zinc Uranyl Diphosphonates from Layered to Framework Structures","Crystal Growth & Design","2012","12","9","4669","","10.1021/cg300903w","","","0.71073","MoKα","","0.0512","0.0401","","","0.0802","0.0836","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506829","9.697","0.0008","17.5578","0.0014","17.9345","0.0015","90","","90.327","0.001","90","","3053.4","0.4","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O23 P4 U2 Zn -","- C13 H18 N2 O23 P4 U2 Zn -","- C52 H72 N8 O92 P16 U8 Zn4 -","4","1","","Wu, Hong-Yue; Yang, Weiting; Sun, Zhong-Ming","Tailor-Made Zinc Uranyl Diphosphonates from Layered to Framework Structures","Crystal Growth & Design","2012","12","9","4669","","10.1021/cg300903w","","","0.71073","MoKα","","0.0544","0.045","","","0.1096","0.1137","","","","","","1.075","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506830","4.28423","0.00011","13.4658","0.0004","15.8983","0.0017","90","","79.3","0.004","90","","901.23","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","FBPTSMe","","","- C6 H3 F N3 S2 Se2 -","- C6 H3 F N3 S2 Se2 -","- C24 H12 F4 N12 S8 Se8 -","4","1","","Lekin, Kristina; Leitch, Alicea A.; Tse, John S.; Bao, Xuezhao; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Oakley, Richard T.","A Pressure Induced Structural Dichotomy in Isostructural Bis-1,2,3-thiaselenazolyl Radical Dimers","Crystal Growth & Design","2012","12","9","4676","","10.1021/cg3009255","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.19006","","1.85","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506831","3.82021","0.00012","13.82056","0.00034","15.0366","0.0014","90","","82.973","0.006","90","","787.93","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","FBPTSMe","","","- C6 H3 F N3 S2 Se2 -","- C6 H3 F N3 S2 Se2 -","- C24 H12 F4 N12 S8 Se8 -","4","1","","Lekin, Kristina; Leitch, Alicea A.; Tse, John S.; Bao, Xuezhao; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Oakley, Richard T.","A Pressure Induced Structural Dichotomy in Isostructural Bis-1,2,3-thiaselenazolyl Radical Dimers","Crystal Growth & Design","2012","12","9","4676","","10.1021/cg3009255","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.10865","","1.88","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506832","3.5991","0.00017","13.88062","0.00035","14.5372","0.0015","90","","84.851","0.006","90","","723.32","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","FBPTSMe","","","- C6 H3 F N3 S2 Se2 -","- C6 H3 F N3 S2 Se2 -","- C24 H12 F4 N12 S8 Se8 -","4","1","","Lekin, Kristina; Leitch, Alicea A.; Tse, John S.; Bao, Xuezhao; Secco, Richard A.; Desgreniers, Serge; Ohishi, Yasuo; Oakley, Richard T.","A Pressure Induced Structural Dichotomy in Isostructural Bis-1,2,3-thiaselenazolyl Radical Dimers","Crystal Growth & Design","2012","12","9","4676","","10.1021/cg3009255","powder diffraction","x-ray","0.51446","synchrotron","","","","","","","","0.08383","","2.24","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506833","10.9574","0.0011","21.61","0.002","24.121","0.003","90","","90","","90","","5711.6","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H37 Gd3 N13 O21 -","- C60 H36 Gd3 N13 O21 -","- C240 H144 Gd12 N52 O84 -","4","1","","Ma, Xue; Li, Xia; Cha, Yu-E; Jin, Lin-Pei","Highly Thermostable One-Dimensional Lanthanide(III) Coordination Polymers Constructed from Benzimidazole-5,6-dicarboxylic Acid and 1,10-Phenanthroline: Synthesis, Structure, and Tunable White-Light Emission","Crystal Growth & Design","2012","12","11","5227","","10.1021/cg300932a","","","0.71073","MoKα","","0.1142","0.0842","","","0.2012","0.2265","","","","","","1.009","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506834","10.9521","0.0009","21.753","0.002","24.219","0.002","90","","90","","90","","5770","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H36 Eu3 N13 O21 -","- C60 H36 Eu3 N13 O21 -","- C240 H144 Eu12 N52 O84 -","4","1","","Ma, Xue; Li, Xia; Cha, Yu-E; Jin, Lin-Pei","Highly Thermostable One-Dimensional Lanthanide(III) Coordination Polymers Constructed from Benzimidazole-5,6-dicarboxylic Acid and 1,10-Phenanthroline: Synthesis, Structure, and Tunable White-Light Emission","Crystal Growth & Design","2012","12","11","5227","","10.1021/cg300932a","","","0.71073","MoKα","","0.1227","0.0858","","","0.1986","0.2255","","","","","","1.022","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506835","11.0029","0.0011","21.665","0.002","24.201","0.002","90","","90","","90","","5769","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H36 N13 O21 Tb3 -","- C60 H36 N13 O21 Tb3 -","- C240 H144 N52 O84 Tb12 -","4","1","","Ma, Xue; Li, Xia; Cha, Yu-E; Jin, Lin-Pei","Highly Thermostable One-Dimensional Lanthanide(III) Coordination Polymers Constructed from Benzimidazole-5,6-dicarboxylic Acid and 1,10-Phenanthroline: Synthesis, Structure, and Tunable White-Light Emission","Crystal Growth & Design","2012","12","11","5227","","10.1021/cg300932a","","","0.71073","MoKα","","0.0781","0.0566","","","0.1306","0.1503","","","","","","1.097","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506836","10.1371","0.0005","17.3888","0.0009","13.9458","0.0007","90","","109.477","0.002","90","","2317.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(adc)2(bpta)2(H2O)2].6H2O","","","- C40 H58 Mn2 N6 O16 -","- C40 H58 Mn2 N6 O16 -","- C80 H116 Mn4 N12 O32 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Supramolecular Assemblies of Dimanganese Subunits and Water Clusters Organized by Strong Hydrogen Bonding Interactions: Single Crystal to Single Crystal Transformation by Thermal De-/Rehydration Processes","Crystal Growth & Design","2012","12","11","5329","","10.1021/cg300937f","","","0.71073","MoKα","","0.0444","0.0336","","","0.1008","0.1249","","","","","","1.167","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506837","10.2166","0.0008","17.526","0.0013","14.1908","0.0011","90","","109.618","0.004","90","","2393.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(adc)2(bpta)2(H2O)2].5H2O","","","- C40 H56 Mn2 N6 O15 -","- C40 H56 Mn2 N6 O15 -","- C80 H112 Mn4 N12 O30 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Supramolecular Assemblies of Dimanganese Subunits and Water Clusters Organized by Strong Hydrogen Bonding Interactions: Single Crystal to Single Crystal Transformation by Thermal De-/Rehydration Processes","Crystal Growth & Design","2012","12","11","5329","","10.1021/cg300937f","","","0.71073","MoKα","","0.0912","0.0645","","","0.2082","0.2263","","","","","","1.065","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506838","10.1634","0.0003","17.4564","0.0005","14.138","0.0004","90","","109.696","0.002","90","","2361.56","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(adc)2(bpta)2(H2O)2].4H2O.CH3OH","","","- C41 H58 Mn2 N6 O15 -","- C41 H58 Mn2 N6 O15 -","- C82 H116 Mn4 N12 O30 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Supramolecular Assemblies of Dimanganese Subunits and Water Clusters Organized by Strong Hydrogen Bonding Interactions: Single Crystal to Single Crystal Transformation by Thermal De-/Rehydration Processes","Crystal Growth & Design","2012","12","11","5329","","10.1021/cg300937f","","","0.71073","MoKα","","0.1241","0.0667","","","0.1547","0.1814","","","","","","1.063","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506839","10.114","0.003","17.397","0.004","13.435","0.003","90","","108.6","0.011","90","","2240.5","1","350","2","350","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(adc)(bpta)2(H2O)2]","","","- C40 H46 Mn2 N6 O10 -","- C40 H46 Mn2 N6 O10 -","- C80 H92 Mn4 N12 O20 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Supramolecular Assemblies of Dimanganese Subunits and Water Clusters Organized by Strong Hydrogen Bonding Interactions: Single Crystal to Single Crystal Transformation by Thermal De-/Rehydration Processes","Crystal Growth & Design","2012","12","11","5329","","10.1021/cg300937f","","","0.71073","MoKα","","0.1707","0.0803","","","0.216","0.2692","","","","","","1.033","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506840","10.0763","0.0004","17.5648","0.0006","13.3931","0.0005","90","","106.351","0.002","90","","2274.55","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(adc)(bpta)2(H2O)2].4H2O","","","- C40 H54 Mn2 N6 O14 -","- C40 H54 Mn2 N6 O14 -","- C80 H108 Mn4 N12 O28 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Supramolecular Assemblies of Dimanganese Subunits and Water Clusters Organized by Strong Hydrogen Bonding Interactions: Single Crystal to Single Crystal Transformation by Thermal De-/Rehydration Processes","Crystal Growth & Design","2012","12","11","5329","","10.1021/cg300937f","","","0.71073","MoKα","","0.1234","0.0569","","","0.1506","0.1808","","","","","","1.013","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506841","14.9293","0.0006","8.3361","0.0002","15.5173","0.0006","90","","118.565","0.005","90","","1696.09","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C68 H84 Cl4 N8 S4 -","4","1","","Borodi, Gheorghe; Pop, Mihaela M.; Onija, Oana; Filip, Xenia","Distinct Disordered Forms of Promethazine Hydrochloride: A Case of Intergrowth of Polymorphic Domains?","Crystal Growth & Design","2012","12","12","5846","","10.1021/cg300943b","","","1.5418","CuKα","","0.0761","0.0733","","","0.2689","0.2726","","","","","","2.262","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506842","14.8123","0.0008","8.317","0.0002","15.5334","0.0008","90","","117.696","0.007","90","","1694.37","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C68 H84 Cl4 N8 S4 -","4","1","","Borodi, Gheorghe; Pop, Mihaela M.; Onija, Oana; Filip, Xenia","Distinct Disordered Forms of Promethazine Hydrochloride: A Case of Intergrowth of Polymorphic Domains?","Crystal Growth & Design","2012","12","12","5846","","10.1021/cg300943b","","","1.5418","CuKα","","0.0613","0.0566","","","0.1816","0.1895","","","","","","1.478","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506843","14.8724","0.0008","8.2589","0.0003","15.3578","0.0008","90","","118.665","0.007","90","","1655.2","0.18","100.2","","100.2","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20.35 Cl N2 S -","- C17 H20.356 Cl N2 S -","- C68 H81.424 Cl4 N8 S4 -","4","1","","Borodi, Gheorghe; Pop, Mihaela M.; Onija, Oana; Filip, Xenia","Distinct Disordered Forms of Promethazine Hydrochloride: A Case of Intergrowth of Polymorphic Domains?","Crystal Growth & Design","2012","12","12","5846","","10.1021/cg300943b","","","1.5418","CuKα","","0.0624","0.0607","","","0.2156","0.2174","","","","","","1.83","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506844","14.9859","0.0009","8.3369","0.0003","15.5132","0.001","90","","118.882","0.008","90","","1697.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C68 H84 Cl4 N8 S4 -","4","1","","Borodi, Gheorghe; Pop, Mihaela M.; Onija, Oana; Filip, Xenia","Distinct Disordered Forms of Promethazine Hydrochloride: A Case of Intergrowth of Polymorphic Domains?","Crystal Growth & Design","2012","12","12","5846","","10.1021/cg300943b","","","1.5418","CuKα","","0.0704","0.057","","","0.1729","0.1878","","","","","","1.267","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506845","14.8149","0.0013","8.3237","0.0005","15.5201","0.0012","90","","117.588","0.011","90","","1696.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Cl N2 S -","- C17 H21 Cl N2 S -","- C68 H84 Cl4 N8 S4 -","4","1","","Borodi, Gheorghe; Pop, Mihaela M.; Onija, Oana; Filip, Xenia","Distinct Disordered Forms of Promethazine Hydrochloride: A Case of Intergrowth of Polymorphic Domains?","Crystal Growth & Design","2012","12","12","5846","","10.1021/cg300943b","","","1.5418","CuKα","","0.0769","0.0635","","","0.1811","0.2006","","","","","","1.302","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506846","5.0642","0.0001","21.9255","0.0005","6.1176","0.0001","90","","113.108","0.001","90","","624.77","0.02","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 N3 O5 -","- C4 H5 N3 O5 -","- C16 H20 N12 O20 -","4","1","","Okoth, Maurice O.; Vrcelj, Ranko M.; Pitak, Mateusz B.; Sheen, David B.; Sherwood, John N.","Polymorphism and Hydrated States in 5-Nitrouracil Crystallized from Aqueous Solution","Crystal Growth & Design","2012","12","10","5002","","10.1021/cg300961m","","","0.71073","MoKα","","0.0441","0.0352","","","0.0816","0.0874","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506847","16.674","0.003","13.484","0.003","30.094","0.006","90","","96.87","0.03","90","","6718","2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C121.5 H156 Cl2 N24 Ni7 O32 -","- C121.5 H156 Cl2 N24 Ni7 O32 -","- C243 H312 Cl4 N48 Ni14 O64 -","2","0.5","","Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Unprecedented 3D Host-Framework Based on a Ni5Cluster with Helical Chains as Guest: Synthesis, Structure, and Magnetic Property","Crystal Growth & Design","2012","12","10","4712","","10.1021/cg300979c","","","0.71073","MoKα","","0.1146","0.0764","","","0.1946","0.219","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506848","8.3768","0.0013","13.729","0.001","14.5547","0.001","90.157","0.006","102.521","0.009","95.439","0.009","1626.2","0.3","165","2","165","2","","","","","","","","4","P -1","-P 1","2","BTA.DMA.H2O-165","benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Uniaxial Negative Thermal Expansion in an Organic Complex Caused by Sliding of Layers","Crystal Growth & Design","2012","12","10","4716","","10.1021/cg300980s","","","0.7107","MoKα","","0.0799","0.0478","","","0.1029","0.1177","","","","","","0.997","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506849","8.4027","0.0012","13.7129","0.001","14.6157","0.0008","90.126","0.005","102.668","0.008","95.329","0.009","1635.6","0.3","210","2","210","2","","","","","","","","4","P -1","-P 1","2","BTA.DMA.H2O-210","benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Uniaxial Negative Thermal Expansion in an Organic Complex Caused by Sliding of Layers","Crystal Growth & Design","2012","12","10","4716","","10.1021/cg300980s","","","0.71073","MoKα","","0.0849","0.0487","","","0.1053","0.122","","","","","","0.957","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506850","8.4236","0.0005","13.6964","0.0008","14.6918","0.0007","90.012","0.004","102.972","0.004","95.368","0.005","1644.14","0.16","255","2","255","","","","","","","","","4","P -1","-P 1","2","BTA.DMA.H2O-255","benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Uniaxial Negative Thermal Expansion in an Organic Complex Caused by Sliding of Layers","Crystal Growth & Design","2012","12","10","4716","","10.1021/cg300980s","","","0.7107","MoKα","","0.1125","0.0556","","","0.112","0.1395","","","","","","0.982","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506851","8.4373","0.0003","13.698","0.0005","14.7629","0.0006","89.956","0.003","103.262","0.003","95.312","0.003","1653.21","0.11","300","2","300","2","","","","","","","","4","P -1","-P 1","2","BTA.DMA.H2O-300","benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Uniaxial Negative Thermal Expansion in an Organic Complex Caused by Sliding of Layers","Crystal Growth & Design","2012","12","10","4716","","10.1021/cg300980s","","","0.71073","MoKα","","0.1037","0.0524","","","0.1145","0.1363","","","","","","1.006","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506852","13.163","0.002","21.296","0.005","18.947","0.003","90","0.005","106.167","0.005","90","0.007","5101.2","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H49 Cl2 N15 O11 Zn -","- C45 H49 Cl2 N15 O11 Zn -","- C180 H196 Cl8 N60 O44 Zn4 -","4","1","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.093","0.0724","","","0.1858","0.202","","","","","","1.089","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506853","9.281","0.007","10.472","0.005","14.731","0.003","77.108","0.005","75.56","0.002","82.591","0.005","1347.5","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H56 Cl2 Cu N16 O12 -","- C48 H56 Cl2 Cu N16 O12 -","- C48 H56 Cl2 Cu N16 O12 -","1","0.5","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.0935","0.082","","","0.2174","0.2314","","","","","","1.051","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506854","7.908","0.005","11.995","0.004","20.795","0.005","90","0.006","96.074","0.005","90","0.002","1961.5","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N6 O4 Zn -","- C20 H16 N6 O4 Zn -","- C80 H64 N24 O16 Zn4 -","4","0.5","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.0683","0.0549","","","0.1286","0.1352","","","","","","1.105","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506855","15.788","0.002","10.04","0.005","11.544","0.004","90","0.005","109.688","0.006","90","0.005","1722.9","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl Cu N6 -","- C18 H14 Cl Cu N6 -","- C72 H56 Cl4 Cu4 N24 -","4","1","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.042","0.0355","","","0.0902","0.096","","","","","","1.058","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506856","13.419","0.005","20.811","0.002","19.156","0.007","90","0.002","108.284","0.005","90","0.005","5079","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl2 N12 O8 Zn -","- C36 H28 Cl2 N12 O8 Zn -","- C144 H112 Cl8 N48 O32 Zn4 -","4","1","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.2265","0.1652","","","0.391","0.4194","","","","","","1.146","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506857","8.253","0.003","8.374","0.005","12.733","0.004","85.951","0.005","79.422","0.007","77.99","0.005","845.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl Cu N6 O -","- C18 H16 Cl Cu N6 O -","- C36 H32 Cl2 Cu2 N12 O2 -","2","1","","Singh, Ruchi; Ahmad, Musheer; Bharadwaj, Parimal K.","Coordination Polymers of Copper and Zinc Ions with a Linear Linker Having Imidazole at Each End and an Azo Moiety in the Middle: Pedal Motion, Gas Adsorption, and Emission Studies","Crystal Growth & Design","2012","12","10","5025","","10.1021/cg300988a","","","0.71073","MoKα","","0.079","0.0643","","","0.1659","0.1905","","","","","","1.048","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506858","9.8429","0.0013","6.119","0.0008","21.635","0.003","90","","91.328","0.002","90","","1302.7","0.3","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C2-tail","","","- C28 H34 N2 O6 -","- C28 H34 N2 O6 -","- C56 H68 N4 O12 -","2","0.5","","Wells, Kirk E.; Weatherhead, Robin A.; Murigi, Francis N.; Nichol, Gary S.; Carducci, Michael D.; Selby, Hugh D.; Mash, Eugene A.","Organic Crystal Engineering with 1,4-Piperazine-2,5-diones. 8. Synthesis, Crystal Packing, and Thermochemistry of Piperazinediones Derived from 2-Amino-4,7-dialkoxyindan-2-carboxylic Acids","Crystal Growth & Design","2012","12","10","5056","","10.1021/cg301003p","","","0.71073","MoKα","","0.0701","0.0423","","","0.0917","0.1049","","","","","","1.047","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506859","14.6172","0.0019","6.038","0.0008","19.251","0.003","90","","92.895","0.003","90","","1696.9","0.4","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C4 Tail","","","- C36 H50 N2 O6 -","- C36 H50 N2 O6 -","- C72 H100 N4 O12 -","2","0.5","","Wells, Kirk E.; Weatherhead, Robin A.; Murigi, Francis N.; Nichol, Gary S.; Carducci, Michael D.; Selby, Hugh D.; Mash, Eugene A.","Organic Crystal Engineering with 1,4-Piperazine-2,5-diones. 8. Synthesis, Crystal Packing, and Thermochemistry of Piperazinediones Derived from 2-Amino-4,7-dialkoxyindan-2-carboxylic Acids","Crystal Growth & Design","2012","12","10","5056","","10.1021/cg301003p","","","0.71073","MoKα","","0.0734","0.0503","","","0.1205","0.1364","","","","","","1.03","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506860","8.886","0.0007","21.164","0.002","12.701","0.001","90","","103.424","0.006","90","","2323.3","0.3","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H76 Co2 N12 O23.25 -","- C24 H76 Co2 N12 O23.25 -","- C48 H152 Co4 N24 O46.5 -","2","1","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.0447","0.0368","","","0.0913","0.0989","","","","","","1.052","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506861","10.713","0.0005","11.522","0.0005","13.558","0.0006","70.415","0.004","85.157","0.004","80.418","0.004","1553.98","0.13","170","2","170","2","","","","","","","","5","P 1","P 1","1","lambda- (Co(en)3)2 BDC3 x 20 H2O","lambda-tris-1,2-(ethylenediamino)cobalt(III)-terephthalate-eikosahydrate","","- C36 H100 Co2 N12 O32 -","- C36 H60 Co2 N12 O32 -","- C36 H60 Co2 N12 O32 -","1","1","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.0698","0.066","","","0.181","0.1891","","","","","","1.084","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4506862","8.5645","0.0014","10.8666","0.0019","12.352","0.002","87.53","0.02","72.56","0.02","71.337","0.019","1037.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Co(en)3]ADC3/2 x 4 H2O","","","- C12 H32 Co N6 O10 -","- C12 H32 Co N6 O10 -","- C24 H64 Co2 N12 O20 -","2","1","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.1051","0.046","","","0.0633","0.0769","","","","","","0.74","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506863","16.5999","0.0019","16.003","0.0011","19.8084","0.0012","90","","97.954","0.01","90","","5211.4","0.8","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Co(en)3)2 BTC3 x 11.1 H2O","","","- C60 H152.4 Co4 N24 O46.2 -","- C60 H108 Co4 N24 O46.194 -","- C120 H216 Co8 N48 O92.388 -","2","0.5","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.1695","0.1026","","","0.2716","0.3033","","","","","","0.92","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506864","18.043","0.0011","11.734","0.0007","10.01","0.0007","90","","120.189","0.003","90","","1831.8","0.2","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","delta- (Co(en)3)EDC(NO3) x 2 H2O","delta-tris-1,2-(ethylenediamino)cobalt(III)-fumerate-nitrate-dihydrate","","- C10 H30 Co N7 O9 -","- C10 H30 Co N7 O9 -","- C40 H120 Co4 N28 O36 -","4","1","","Liebig, Thomas J.; Ruschewitz, Uwe","Supramolecular Polymers with [Co(en)3]3+Cores (en = ethylenediamine)","Crystal Growth & Design","2012","12","11","5402","","10.1021/cg3010085","","","0.71073","MoKα","","0.0396","0.0345","","","0.0843","0.0868","","","","","","1.021","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506865","7.222","0.002","12.034","0.004","12.859","0.004","102.963","0.005","102.42","0.005","92.363","0.005","1058.9","0.6","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 Cl2 O2 -","- C23 H16 Cl2 O2 -","- C46 H32 Cl4 O4 -","2","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0976","0.054","","","0.1489","0.173","","","","","","0.979","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506866","7.5479","0.0005","12.4908","0.0009","18.3342","0.0013","90","","95.985","0.001","90","","1719.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 O -","- C21 H16 Cl2 O -","- C84 H64 Cl8 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0359","0.0324","","","0.0823","0.0847","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506867","8.1079","0.0005","17.6794","0.0012","12.3042","0.0008","90","","107.388","0.001","90","","1683.12","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 O -","- C21 H16 Cl2 O -","- C84 H64 Cl8 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0315","0.0292","","","0.0786","0.0807","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506868","7.5735","0.0006","12.5391","0.0011","18.2526","0.0016","90","","95.732","0.001","90","","1724.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13.25 Cl2 O -","- C21 H13.3672 Cl2 O -","- C84 H53.4688 Cl8 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.045","0.0423","","","0.1093","0.111","","","","","","1.11","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506869","7.2779","0.0007","11.839","0.0011","12.4604","0.0011","101.263","0.001","103.856","0.001","91.19","0.001","1019.73","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H16 Cl2 O -","- C24.5 H16 Cl2 O -","- C49 H32 Cl4 O2 -","2","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0471","0.0396","","","0.1082","0.1138","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506870","7.5638","0.0016","12.612","0.003","18.207","0.004","90","","96.092","0.003","90","","1727","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 O -","- C21 H16 Cl2 O -","- C84 H64 Cl8 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0343","0.0328","","","0.0856","0.087","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506871","7.514","0.0007","8.1314","0.0007","15.238","0.0014","97.026","0.001","101.483","0.001","104.054","0.001","870.71","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 Cl2 O -","- C21 H16 Cl2 O -","- C42 H32 Cl4 O2 -","2","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0409","0.0365","","","0.0935","0.0967","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506872","19.8402","0.0015","10.8101","0.0008","7.7823","0.0006","90","","90","","90","","1669.1","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl2 O -","- C21 H16 Cl2 O -","- C84 H64 Cl8 O4 -","4","0.5","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0345","0.0334","","","0.088","0.089","","","","","","1.071","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506873","7.402","0.003","27.806","0.011","8.442","0.003","90","","104.514","0.006","90","","1682.1","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H10 Cl4 O -","- C19 H10 Cl4 O -","- C76 H40 Cl16 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0652","0.0487","","","0.1161","0.1218","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506874","7.5966","0.0008","12.545","0.0013","18.2688","0.0018","90","","95.684","0.002","90","","1732.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19.25 Cl O -","- C22.098 H19.294 Cl0.902 O -","- C88.392 H77.176 Cl3.608 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0408","0.0378","","","0.0932","0.0951","","","","","","1.077","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506875","7.614","0.0005","12.5924","0.0008","18.2117","0.0012","90","","95.606","0.001","90","","1737.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19.25 Cl0.75 O -","- C22.108 H19.324 Cl0.892 O -","- C88.432 H77.296 Cl3.568 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0405","0.0392","","","0.0999","0.1009","","","","","","1.091","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506876","7.4976","0.0007","8.1301","0.0007","15.2759","0.0013","97.497","0.001","101.212","0.001","103.222","0.001","874.13","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22.5 H20.5 Cl0.5 O -","- C22.504 H20.512 Cl0.496 O -","- C45.008 H41.024 Cl0.992 O2 -","2","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.046","0.045","","","0.111","0.1117","","","","","","1.145","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506877","19.853","0.003","10.8323","0.0015","7.8131","0.0011","90","","90","","90","","1680.2","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21.5 H17.75 Cl1.5 O -","- C21.574 H17.722 Cl1.426 O -","- C86.296 H70.888 Cl5.704 O4 -","4","0.5","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0624","0.0579","","","0.1163","0.1179","","","","","","1.319","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506878","7.604","0.0006","12.5706","0.0011","18.1989","0.0015","90","","95.803","0.001","90","","1730.7","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21.5 H17.75 Cl1.5 O -","- C21.602 H17.806 Cl1.398 O -","- C86.408 H71.224 Cl5.592 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0516","0.0479","","","0.1034","0.1052","","","","","","1.208","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506879","7.6297","0.0005","12.5889","0.0008","18.2064","0.0011","90","","95.467","0.001","90","","1740.76","0.19","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0513","0.0498","","","0.13","0.1314","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506880","7.4822","0.0006","8.1328","0.0006","15.3014","0.0011","97.562","0.001","101.046","0.001","102.992","0.001","875.49","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0445","0.043","","","0.1107","0.1122","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506881","12.869","0.003","17.255","0.004","7.96","0.002","90","","99.436","0.005","90","","1743.6","0.7","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Nath, Naba K.; Nangia, Ashwini","Isomorphous Crystals by Chloro‒Methyl Exchange in Polymorphic Fuchsones","Crystal Growth & Design","2012","12","11","5411","","10.1021/cg3010097","","","0.71073","MoKα","","0.0956","0.0755","","","0.1665","0.1771","","","","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506882","27.314","0.007","27.314","0.007","22.74","0.012","90","","90","","120","","14692","9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38.33 H24.33 Mn N3.67 O4 -","- C38.34 H24.34 Mn N3.66 O4 -","- C690.12 H438.12 Mn18 N65.88 O72 -","18","1","","Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Qu, Yang-Kun; Hu, Tong-Liang; Bu, Xian-He","A Two-Fold Interpenetrated Coordination Framework with a Rare (3,6)-Connected loh1 Topology: Magnetic Properties and Photocatalytic Behavior","Crystal Growth & Design","2012","12","11","5426","","10.1021/cg301010x","","","0.71073","MoKα","","0.201","0.1186","","","0.2072","0.2394","","","","","","1.172","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506883","10.8883","0.0003","29.2108","0.0007","11.3297","0.0004","90","","118.486","0.004","90","","3167.2","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H40 Mn2 N14 O S14 -","- C54 H40 Mn2 N14 O S14 -","- C108 H80 Mn4 N28 O2 S28 -","2","1","","Pinta, Noelia De la; Fidalgo, Luz; Madariaga, Gotzon; Lezama, Luis; Cortés, Roberto","Guest Driven Structural Correlations in DPDS [Di(4-pyridyl)disulfide]-Based Coordination Polymers","Crystal Growth & Design","2012","12","10","5069","","10.1021/cg3010135","","","0.71073","MoKα","","0.0639","0.0469","","","","0.1084","","","","","","0.991","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506884","14.026","0.002","20.318","0.003","10.927","0.0015","90","","91.966","0.014","90","","3112.1","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H16 Fe N6 O3 S6 -","- C22 H16 Fe N6 O3 S6 -","- C88 H64 Fe4 N24 O12 S24 -","4","1","","Pinta, Noelia De la; Fidalgo, Luz; Madariaga, Gotzon; Lezama, Luis; Cortés, Roberto","Guest Driven Structural Correlations in DPDS [Di(4-pyridyl)disulfide]-Based Coordination Polymers","Crystal Growth & Design","2012","12","10","5069","","10.1021/cg3010135","","","0.71073","MoKα","","0.2025","0.0691","","","","0.1806","","","","","","0.87","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506885","13.946","0.008","20.218","0.007","10.911","0.003","90","","90","","90","","3076","2","293","2","293","2","","","","","","","","6","C c c 2","C 2 -2c","37","","","","- C22 H20 Co N6 O2 S6 -","- C22 H20 Co N6 O2 S6 -","- C88 H80 Co4 N24 O8 S24 -","4","0.5","","Pinta, Noelia De la; Fidalgo, Luz; Madariaga, Gotzon; Lezama, Luis; Cortés, Roberto","Guest Driven Structural Correlations in DPDS [Di(4-pyridyl)disulfide]-Based Coordination Polymers","Crystal Growth & Design","2012","12","10","5069","","10.1021/cg3010135","","","0.71073","MoKα","","0.0788","0.0312","","","","0.0743","","","","","","0.836","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506886","10.5241","0.0004","38.9877","0.0014","18.2981","0.0008","90","","95.285","0.004","90","","7476","0.5","111","2","111","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C127 H280 N32 Zr4 -","- C127 H280 N32 Zr4 -","- C254 H560 N64 Zr8 -","2","0.5","","Banerjee, Manish; Srinivasan, Nagendra Babu; Zhu, Huaizhi; Kim, Sun Ja; Xu, Ke; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; de los Arcos, Teresa; Bekermann, Daniela; Barreca, Davide; Fischer, Roland A.; Devi, Anjana","Fabrication of ZrO2and ZrN Films by Metalorganic Chemical Vapor Deposition Employing New Zr Precursors","Crystal Growth & Design","2012","12","10","5079","","10.1021/cg3010147","","","0.71073","MoKα","","0.0905","0.0511","","","0.1013","0.1176","","","","","","1.028","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506887","10.3375","0.0006","15.2574","0.0015","15.087","0.0015","90","","91.745","0.007","90","","2378.5","0.4","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H50 Co2 N8 O18 -","- C42 H50 Co2 N8 O18 -","- C84 H100 Co4 N16 O36 -","2","1","","Banerjee, Manish; Srinivasan, Nagendra Babu; Zhu, Huaizhi; Kim, Sun Ja; Xu, Ke; Winter, Manuela; Becker, Hans-Werner; Rogalla, Detlef; de los Arcos, Teresa; Bekermann, Daniela; Barreca, Davide; Fischer, Roland A.; Devi, Anjana","Fabrication of ZrO2and ZrN Films by Metalorganic Chemical Vapor Deposition Employing New Zr Precursors","Crystal Growth & Design","2012","12","10","5079","","10.1021/cg3010147","","x-ray","0.71073","Mokα","","0.0711","0.0422","","","0.0868","0.0955","","","","","","1","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506888","21.679","0.004","10.889","0.002","20.104","0.004","90","","120.43","0.03","90","","4092.1","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Co N2 O4 -","- C21 H17 Co N2 O4 -","- C168 H136 Co8 N16 O32 -","8","1","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.0581","0.0525","","","0.13","0.134","","","","","","1.175","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506889","22.412","0.004","8.397","0.0017","16.207","0.003","90","","100.8","0.03","90","","2996","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Co N4 O5 -","- C32 H26 Co N4 O5 -","- C128 H104 Co4 N16 O20 -","4","0.5","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.0612","0.058","","","0.1562","0.1602","","","","","","1.112","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506890","16.173","0.003","17.917","0.004","18.017","0.004","90","","90","","90","","5220.8","1.9","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C29 H28 Co N4 O5 -","- C29 H30 Co N4 O5 -","- C232 H240 Co8 N32 O40 -","8","0.5","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.0542","0.052","","","0.1106","0.112","","","","","","1.252","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506891","17.834","0.004","18.075","0.004","16.151","0.003","90","","90","","90","","5206.3","1.9","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C29 H30 N4 O5 Zn -","- C29 H30 N4 O5 Zn -","- C232 H240 N32 O40 Zn8 -","8","0.5","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.1039","0.0702","","","0.1577","0.1824","","","","","","1.147","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506892","11.622","0.002","17.483","0.004","17.525","0.004","90","","93.95","0.03","90","","3552.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 N4 O10 Zn2 -","- C37 H36 N4 O10 Zn2 -","- C148 H144 N16 O40 Zn8 -","4","1","","Guo, Qianqian; Xu, Chunying; Zhao, Bei; Jia, Yanyuan; Hou, Hongwei; Fan, Yaoting","Syntheses, Characterizations, and Properties of Five Interpenetrating Complexes Based on 1,4-Benzenedicarboxylic Acid and a Series of Benzimidazole-Based Linkers","Crystal Growth & Design","2012","12","11","5439","","10.1021/cg3010272","","","0.71073","MoKα","","0.1788","0.0909","","","0.1029","0.1332","","","","","","1.022","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506893","6.0664","0.0003","14.14","0.0005","12.0036","0.0005","90","","90.228","0.002","90","","1029.65","0.08","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-fluoro-N-(4-fluorobenzylidene)aniline","","- C13 H9 F2 N -","- C13 H9 F2 N -","- C52 H36 F8 N4 -","4","2","","Kaur, Gurpreet; Panini, Piyush; Chopra, Deepak; Roy Choudhury, Angshuman","Structural Investigation of Weak Intermolecular Interactions in Fluorine Substituted IsomericN-Benzylideneanilines","Crystal Growth & Design","2012","12","10","5096","","10.1021/cg3010294","","","0.71073","MOKα","","0.0281","0.026","","","0.0655","0.0669","","","","","","1.079","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506894","11.9029","0.0003","7.65","0.0002","18.0677","0.0005","90","","97.23","0.002","90","","1632.11","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H55 N3 O3 -","- C33 H55 N3 O3 -","- C66 H110 N6 O6 -","2","1","","Hou, Xiaodong; Schober, Matthew; Chu, Qianli","A Chiral Nanosheet Connected by Amide Hydrogen Bonds","Crystal Growth & Design","2012","12","11","5159","","10.1021/cg301030f","","","0.71073","MoKα","","0.0839","0.0561","","","0.1366","0.1647","","","","","","1.091","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506895","12.2508","0.0004","6.9026","0.0002","33.657","0.001","90","","98.418","0.002","90","","2815.45","0.15","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H45 N3 O3 -","- C30 H45 N3 O3 -","- C120 H180 N12 O12 -","4","1","","Hou, Xiaodong; Schober, Matthew; Chu, Qianli","A Chiral Nanosheet Connected by Amide Hydrogen Bonds","Crystal Growth & Design","2012","12","11","5159","","10.1021/cg301030f","","","0.71073","MoKα","","0.1333","0.0942","","","0.2589","0.2964","","","","","","1.033","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506896","21.309","0.004","23.981","0.005","16.055","0.003","90","","90","","90","","8204","3","293","2","293","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C8 H12.5 Cd2 K0.5 N6 O13.5 -","- C8 Cd2 K0.5 N6 O13.5125 -","- C128 Cd32 K8 N96 O216.2 -","16","1","","Zhao, Tingting; Jing, Xuemin; Wang, Jing; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two 3D Porous Metal‒Organic Frameworks Based on 1,2,3-Triazole-4,5-dicarboxylate Exhibiting Novel Coordination Modes","Crystal Growth & Design","2012","12","11","5456","","10.1021/cg301041n","","","0.71073","MoKα","","0.0926","0.0484","","","0.1149","0.1395","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506897","22.5557","0.0003","22.5557","0.0003","22.5557","0.0003","90","","90","","90","","11475.4","0.3","296","2","296","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C12 H11 Cu4 N9 O17 -","- C12 Cu4 N9 O17 -","- C96 Cu32 N72 O136 -","8","0.166667","","Zhao, Tingting; Jing, Xuemin; Wang, Jing; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two 3D Porous Metal‒Organic Frameworks Based on 1,2,3-Triazole-4,5-dicarboxylate Exhibiting Novel Coordination Modes","Crystal Growth & Design","2012","12","11","5456","","10.1021/cg301041n","","","0.71073","MoKα","","0.1257","0.0647","","","0.1567","0.206","","","","","","1.107","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506898","14.2649","0.0003","12.8066","0.0002","6.6816","0.0001","90","","102.447","0.003","90","","1191.94","0.04","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 F3 N O5 P Zr -","- C8 F3 N O5 P Zr -","- C32 F12 N4 O20 P4 Zr4 -","4","1","","Costantino, Ferdinando; Sassi, Paola; Geppi, Marco; Taddei, Marco","Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination","Crystal Growth & Design","2012","12","11","5462","","10.1021/cg301042y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.10277","","3.37","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506899","12.8478","0.0009","12.851","0.0005","6.6366","0.0006","90","","90.386","0.009","90","","1095.72","0.13","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C8 H8 F2 N O5 P Zr -","- C8 F2 N O5 P Zr -","- C32 F8 N4 O20 P4 Zr4 -","4","1","","Costantino, Ferdinando; Sassi, Paola; Geppi, Marco; Taddei, Marco","Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination","Crystal Growth & Design","2012","12","11","5462","","10.1021/cg301042y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.14563","","4.84","","","","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506900","17.6407","0.0008","13.0625","0.0006","9.9599","0.0005","90","","97.727","0.006","90","","2274.24","0.19","298","","298","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C8 H9 F2 N O5 P Zr -","- C8 F2 N O5 P Zr -","- C64 F16 N8 O40 P8 Zr8 -","8","2","","Costantino, Ferdinando; Sassi, Paola; Geppi, Marco; Taddei, Marco","Multitechnique Experimental Insight on an Unusual Crystal-to-Crystal High Temperature Solid State Reaction in Zirconium Carboxypyridinephosphonates: From One-Dimensional Chains to Two-Dimensional Hybrid Layers Through HF Elimination","Crystal Growth & Design","2012","12","11","5462","","10.1021/cg301042y","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.10925","","8.85","","","","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506901","20.413","0.005","20.413","0.005","20.413","0.005","90","","90","","90","","8506","4","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C24 H36 N2 O14 Zn -","- C12 H4 O8 Zn -","- C144 H48 O96 Zn12 -","12","0.25","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0549","0.0503","","","0.1441","0.1457","","","","","","1.097","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506902","16.965","0.004","15.5171","0.0013","14.0726","0.0014","90","","108.119","0.018","90","","3520.9","1","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C37 H36 N3 O19 Zn3 -","- C33 H20 N O19 Zn3 -","- C66 H40 N2 O38 Zn6 -","2","0.5","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0991","0.073","","","0.1967","0.2135","","","","","","0.891","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506903","14.2247","0.0005","32.481","0.003","15.5954","0.0009","90","","90","","90","","7205.6","0.8","100","2","100","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C41 H47 N3 O18 Zn3 -","- C39 H39 N2 O18 Zn3 -","- C156 H156 N8 O72 Zn12 -","4","0.25","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.1114","0.0884","","","0.2662","0.2758","","","","","","1.05","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506904","43.8139","0.0008","43.8139","0.0008","17.2006","0.0003","90","","90","","120","","28595.5","0.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C49 H57 N7 O24 Zn3 -","- C49 H57 N7 O24 Zn3 -","- C882 H1026 N126 O432 Zn54 -","18","1","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0697","0.053","","","0.1422","0.1467","","","","","","1.034","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506905","23.314","0.002","14.4189","0.0015","18.072","0.002","90","","105.571","0.01","90","","5852.2","1.1","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C39 H39 N3 O22 Zn4 -","- C37 H31 N2 O22 Zn4 -","- C148 H124 N8 O88 Zn16 -","4","0.5","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0829","0.0703","","","0.2084","0.2212","","","","","","1.108","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506906","18.5152","0.0004","15.2446","0.0003","21.4278","0.0005","90","","100.999","0.002","90","","5937","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C41 H41 N3 O22 Zn4 -","- C39 H33 N2 O22 Zn4 -","- C156 H132 N8 O88 Zn16 -","4","0.5","","Manos, Manolis J.; Moushi, Eleni E.; Papaefstathiou, Giannis S.; Tasiopoulos, Anastasios J.","New Zn2+Metal Organic Frameworks with Unique Network Topologies from the Combination of Trimesic Acid and Amino-Alcohols","Crystal Growth & Design","2012","12","11","5471","","10.1021/cg301047w","","","0.71073","MoKα","","0.0923","0.0648","","","0.1923","0.1994","","","","","","1.075","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506907","10.856","0.002","11.111","0.002","17.56","0.004","90","","90","","90","","2118.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(5-(anthracen-10-yl)-3-(4-methoxyphenyl)- 4,5-dihydropyrazol-1-yl) ethanone","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","1","","Dong, Baoli; Wang, Mingliang; Xu, Chunxiang; Feng, Qi; Wang, Yan","Tuning Solid-State Fluorescence of a Twisted π-Conjugated Molecule by Regulating the Arrangement of Anthracene Fluorophores","Crystal Growth & Design","2012","12","12","5986","","10.1021/cg301055j","","","0.71073","MoKα","","0.0768","0.0528","","","0.1111","0.122","","","","","","1.055","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506908","8.2824","0.0019","11.048","0.003","14.035","0.003","86.649","0.003","76.491","0.003","70.242","0.003","1174.9","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(5-(anthracen-10-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl)ethanone, acetic acid solvate","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C56 H52 N4 O8 -","2","1","","Dong, Baoli; Wang, Mingliang; Xu, Chunxiang; Feng, Qi; Wang, Yan","Tuning Solid-State Fluorescence of a Twisted π-Conjugated Molecule by Regulating the Arrangement of Anthracene Fluorophores","Crystal Growth & Design","2012","12","12","5986","","10.1021/cg301055j","","","0.71073","MoKα","","0.0606","0.0474","","","0.1428","0.1528","","","","","","1.062","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506909","10.343","0.002","10.623","0.002","12.106","0.002","93","0.03","91.92","0.03","113.69","0.03","1214.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(5-(anthracen-10-yl)-3-(4-methoxyphenyl)- 4,5-dihydropyrazol-1-yl) ethanone.propane diacid cocrystal","","- C29 H26 N2 O6 -","- C29 H26 N2 O6 -","- C58 H52 N4 O12 -","2","1","","Dong, Baoli; Wang, Mingliang; Xu, Chunxiang; Feng, Qi; Wang, Yan","Tuning Solid-State Fluorescence of a Twisted π-Conjugated Molecule by Regulating the Arrangement of Anthracene Fluorophores","Crystal Growth & Design","2012","12","12","5986","","10.1021/cg301055j","","","0.71073","MoKα","","0.0797","0.0559","","","0.1394","0.1516","","","","","","1.009","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506910","52.91","0.002","52.91","0.002","48.89","0.002","90","","90","","90","","136866","9","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C274 H198 N24 Na12.62 Ni6 O135.26 S16 -","- C274 H198 N24 Na12.6 Ni6 O135.2 S16 -","- C2192 H1584 N192 Na100.8 Ni48 O1081.6 S128 -","8","0.5","","Brancatelli, Giovanna; De Zorzi, Rita; Hickey, Neal; Siega, Patrizia; Zingone, Guglielmo; Geremia, Silvano","New Multicomponent Porous Architecture of Self-Assembled Porphyrins/Calixarenes Driven by Nickel Ions","Crystal Growth & Design","2012","12","10","5111","","10.1021/cg3010689","","","1","","","0.2034","0.1445","","","0.3371","0.3585","","","","","","1.704","","","","has coordinates","286259","2023-09-07","06:04:50",""
"4506911","12.3806","0.0008","8.0655","0.0006","12.5124","0.0008","90","","90.292","0.006","90","","1249.42","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 O3 S -","- C12 H10 N4 O3 S -","- C48 H40 N16 O12 S4 -","4","1","","Xu, Lin-Lin; Chen, Jia-Mei; Yan, Yan; Lu, Tong-Bu","Improving the Solubility of 6-Mercaptopurine via Cocrystals and Salts","Crystal Growth & Design","2012","12","12","6004","","10.1021/cg3010745","","","1.54178","CuKα","","0.0682","0.0602","","","0.1497","0.1566","","","","","","1.042","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506912","14.3545","0.0008","7.5483","0.0004","12.3239","0.0006","90","","102.86","0.005","90","","1301.83","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 O4 S -","- C12 H10 N4 O4 S -","- C48 H40 N16 O16 S4 -","4","1","","Xu, Lin-Lin; Chen, Jia-Mei; Yan, Yan; Lu, Tong-Bu","Improving the Solubility of 6-Mercaptopurine via Cocrystals and Salts","Crystal Growth & Design","2012","12","12","6004","","10.1021/cg3010745","","","1.54178","CuKα","","0.0574","0.0479","","","0.1332","0.1501","","","","","","1.101","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506913","11.0569","0.0003","13.1725","0.0003","15.5061","0.0004","90","","90","","90","","2258.42","0.1","130","2","130","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H14 N6 S -","- C9 H14 N6 S -","- C72 H112 N48 S8 -","8","1","","Xu, Lin-Lin; Chen, Jia-Mei; Yan, Yan; Lu, Tong-Bu","Improving the Solubility of 6-Mercaptopurine via Cocrystals and Salts","Crystal Growth & Design","2012","12","12","6004","","10.1021/cg3010745","","","1.54178","CuKα","","0.0399","0.033","","","0.0855","0.0907","","","","","","1.048","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506914","11.481","0.0007","12.1759","0.0006","12.0078","0.0007","90","","90","","90","","1678.59","0.16","150","2","150","10","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H18 N10 S2 -","- C14 H18 N10 S2 -","- C56 H72 N40 S8 -","4","1","","Xu, Lin-Lin; Chen, Jia-Mei; Yan, Yan; Lu, Tong-Bu","Improving the Solubility of 6-Mercaptopurine via Cocrystals and Salts","Crystal Growth & Design","2012","12","12","6004","","10.1021/cg3010745","","","1.54178","CuKα","","0.0459","0.0428","","","0.1138","0.1162","","","","","","1.054","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506915","11.9558","0.0013","13.9593","0.0015","14.9742","0.0016","75.258","0.004","82.855","0.004","88.532","0.004","2398","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 N16 O18 Pd2 -","- C34 H52 N16 O18 Pd2 -","- C68 H104 N32 O36 Pd4 -","2","1","","Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.","Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing","Crystal Growth & Design","2012","12","12","6012","","10.1021/cg301085t","","","0.71073","MoKα","","0.085","0.0493","","","0.1326","0.1557","","","","","","1.025","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506916","13.275","0.009","15.216","0.016","15.513","0.009","110.66","0.03","104.68","0.02","101.53","0.03","2688","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H71 Cl3 N14 O15 Pd2 -","- C40 H71 Cl3 N14 O15 Pd2 -","- C80 H142 Cl6 N28 O30 Pd4 -","2","1","","Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.","Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing","Crystal Growth & Design","2012","12","12","6012","","10.1021/cg301085t","","","0.71073","MoKα","","0.1451","0.0736","","","0.2072","0.2738","","","","","","0.819","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506917","13.7721","0.0011","14.3283","0.0011","15.2061","0.0011","72.723","0.003","78.255","0.003","76.979","0.003","2761.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl4 N12 O19 Pd2 -","- C42 H36 Cl4 N12 O18 Pd2 -","- C84 H72 Cl8 N24 O36 Pd4 -","2","1","","Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.","Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing","Crystal Growth & Design","2012","12","12","6012","","10.1021/cg301085t","","","0.71073","MoKα","","0.1292","0.073","","","0.2204","0.2547","","","","","","1.044","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506918","12.1745","0.0014","15.9854","0.0019","16.9763","0.0018","66.886","0.003","74.165","0.004","69.919","0.003","2817.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H76 N30 O19 Pd4 -","- C96 H76 N30 O19 Pd4 -","- C96 H76 N30 O19 Pd4 -","1","0.5","","Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.","Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing","Crystal Growth & Design","2012","12","12","6012","","10.1021/cg301085t","","","0.71073","MoKα","","0.1944","0.1107","","","0.2935","0.3732","","","","","","0.958","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506919","21.126","0.003","24.369","0.003","23.647","0.003","90","","104.945","0.006","90","","11762","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Cl3 N12 O16 Pd2 -","- C46 H36 Cl3 N12 O16 Pd2 -","- C368 H288 Cl24 N96 O128 Pd16 -","8","2","","Naranthatta, Mili C.; Das, Deepika; Tripathy, Debakanta; Sahoo, Himansu S.; Ramkumar, Venkatachalam; Chand, Dillip K.","Consequence of Presence and Absence of π-Clouds at Strategic Locations of Designed Binuclear Pd(II) Complexes on Packing: Self-Assembly of Self-Assembly by Intermolecular Locking and Packing","Crystal Growth & Design","2012","12","12","6012","","10.1021/cg301085t","","","0.71073","MoKα","","0.4013","0.2455","","","0.5785","0.6308","","","","","","1.789","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506920","16.3455","0.0012","9.9361","0.0005","12.1419","0.0007","90","","99.233","0.007","90","","1946.4","0.2","95","","95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N16 O16 -","- C8 H10 N16 O16 -","- C32 H40 N64 O64 -","4","1","","Bolton, Onas; Simke, Leah R.; Pagoria, Philip F.; Matzger, Adam J.","High Power Explosive with Good Sensitivity: A 2:1 Cocrystal of CL-20:HMX","Crystal Growth & Design","2012","12","9","4311","","10.1021/cg3010882","","","1.54187","CuKα","","","0.038","","","","0.1162","","","","","","1.099","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506921","12.2428","0.0008","67.775","0.005","12.2969","0.0008","90","","107.103","0.001","90","","9752.2","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C180 H253 Cd6 N18 O57.5 -","- C180 H228 Cd6 N18 O57.5 -","- C360 H456 Cd12 N36 O115 -","2","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.1077","0.0712","","","0.1495","0.1687","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506922","19.0413","0.0019","23.213","0.002","7.1223","0.0007","90","","90","","90","","3148.1","0.5","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H33 Cd Cl N6 O8 -","- C30 H33 Cd Cl N6 O8 -","- C120 H132 Cd4 Cl4 N24 O32 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0584","0.0493","","","0.1317","0.1375","","","","","","1.056","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506923","9.2562","0.0006","14.393","0.001","24.2543","0.0017","90","","90.878","0.001","90","","3230.9","0.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H78 N6 O18 Zn4 -","- C60 H78 N6 O18 Zn4 -","- C120 H156 N12 O36 Zn8 -","2","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0608","0.0514","","","0.1253","0.131","","","","","","1.08","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506924","19.261","0.002","34.341","0.004","13.6935","0.0015","90","","90","","90","","9057.5","1.7","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C80 H116 N12 Ni4 O28 -","- C80 H92 N12 Ni4 O16 -","- C320 H368 N48 Ni16 O64 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0949","0.0788","","","0.2109","0.2235","","","","","","0.993","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506925","19.028","0.003","12.8531","0.0017","13.5044","0.0018","90","","105.871","0.002","90","","3176.9","0.8","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H39 Co2 N3 O9 -","- C30 H39 Co2 N3 O9 -","- C120 H156 Co8 N12 O36 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.0943","0.0679","","","0.1731","0.193","","","","","","1.041","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506926","18.868","0.006","12.86","0.004","13.36","0.004","90","","106.562","0.006","90","","3107.2","1.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H39 Cu2 N3 O9 -","- C30 H39 Cu2 N3 O9 -","- C120 H156 Cu8 N12 O36 -","4","1","","Blake, Karyn M.; Gandolfo, Chaun M.; Uebler, Jacob W.; LaDuca, Robert L.","Diverse Topologies in Chiral Divalent Metal Camphorate Coordination Polymers Containing 4,4′-Dipyridylamine","Crystal Growth & Design","2012","12","10","5125","","10.1021/cg301091f","","","0.71073","MoKα","","0.1194","0.0803","","","0.2245","0.2501","","","","","","1.068","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506927","20.131","0.002","24.767","0.003","26.928","0.003","90","","90","","90","","13426","3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C45 H34 Co2 N4 O12 -","- C45 H34 Co2 N4 O12 -","- C360 H272 Co16 N32 O96 -","8","1","","Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming","Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands","Crystal Growth & Design","2012","12","11","5529","","10.1021/cg301094h","","","0.71073","MoKα","","0.1473","0.1002","","","0.2857","0.307","","","","","","1.046","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506928","9.0384","0.001","16.3407","0.0018","18.505","0.002","73.394","0.002","76.394","0.002","86.298","0.002","2545.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H37 Co2 N6 O16 -","- C51 H37 Co2 N6 O16 -","- C102 H74 Co4 N12 O32 -","2","1","","Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming","Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands","Crystal Growth & Design","2012","12","11","5529","","10.1021/cg301094h","","","0.71073","MoKα","","0.1811","0.0998","","","0.2865","0.3313","","","","","","0.978","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506929","20.93","0.002","52.18","0.005","30.679","0.003","90","","104.625","0.002","90","","32420","5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H76 Co4 N8 O24 -","- C102 H76 Co4 N8 O24 -","- C816 H608 Co32 N64 O192 -","8","1","","Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming","Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands","Crystal Growth & Design","2012","12","11","5529","","10.1021/cg301094h","","","0.71073","MoKα","","0.1641","0.0495","","","0.0954","0.1036","","","","","","0.959","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506930","26.658","0.002","26.658","0.002","8.479","0.0006","90","","90","","90","","6025.6","0.8","106","2","106","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C17.25 H13 Co0.5 N2 O3 -","- C17.25 H11 Co0.5 N2 O3 -","- C276 H176 Co8 N32 O48 -","16","1","","Yang, Weiting; Guo, Min; Yi, Fei-Yan; Sun, Zhong-Ming","Construction of Three-Dimensional Cobalt(II)-Based Metal‒Organic Frameworks by Synergy between Rigid and Semirigid Ligands","Crystal Growth & Design","2012","12","11","5529","","10.1021/cg301094h","","","0.71073","MoKα","","0.1116","0.0949","","","0.2698","0.2952","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506931","9.644","0.0008","10.2113","0.0008","10.4677","0.0009","102.075","0.002","116.625","0.002","106.28","0.002","814.46","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cu N6 O8 -","- C26 H22 Cu N6 O8 -","- C26 H22 Cu N6 O8 -","1","0.5","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0568","0.0431","","","0.1027","0.1094","","","","","","0.969","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506932","8.2254","0.0004","11.6133","0.0006","14.3603","0.0008","76.278","0.002","86.541","0.002","76.787","0.002","1297.3","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cu N8 O8 -","- C22 H30 Cu N8 O8 -","- C44 H60 Cu2 N16 O16 -","2","1","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0401","0.0314","","","0.0792","0.0844","","","","","","1.07","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506933","8.8618","0.0013","9.47","0.0014","12.5265","0.0018","102.496","0.004","93.441","0.004","94.785","0.004","1019.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Cu N7 O9 -","- C15 H16 Cu N7 O8 -","- C30 H32 Cu2 N14 O16 -","2","1","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0823","0.0491","","","0.0882","0.0987","","","","","","1.006","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506934","8.3131","0.0008","8.4982","0.0008","8.8252","0.0008","69.901","0.002","86.713","0.002","82.023","0.002","579.8","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cu N6 O10 -","- C18 H20 Cu N6 O10 -","- C18 H20 Cu N6 O10 -","1","0.5","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0531","0.0435","","","0.1251","0.1329","","","","","","1.093","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506935","18.4348","0.0009","7.949","0.0004","15.9297","0.0008","90","","90","","90","","2334.3","0.2","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H30 Cu N6 O10 -","- C19 H30 Cu N6 O10 -","- C76 H120 Cu4 N24 O40 -","4","1","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0343","0.0283","","","0.0635","0.0662","","","","","","0.992","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506936","9.5396","0.0008","9.7085","0.0008","12.6295","0.0012","74.927","0.002","76.612","0.002","87.388","0.002","1098.61","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Cu N7 O8 -","- C16 H20 Cu N7 O8 -","- C32 H40 Cu2 N14 O16 -","2","1","","Banerjee, Subhabrata; Kumar, Dhurjati Prasad; Bandyopadhay, Sabyasachi; Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of CuIICoordination Polymers Derived from Bis-pyridyl-bis-urea Ligands and Various Dicarboxylates and Their Role in Methanolysis of Epoxide Ring-Opening Catalysis","Crystal Growth & Design","2012","12","11","5546","","10.1021/cg3011037","","","0.71073","MoKα","","0.0437","0.0333","","","0.0776","0.0822","","","","","","1.029","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506937","12.1664","0.0004","13.0392","0.0005","13.1697","0.0005","93.064","0.003","107.195","0.003","96.601","0.003","1974.2","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H55 Cu3 N12 O11 P4 -","- C29 H55 Cu3 N12 O11 P4 -","- C58 H110 Cu6 N24 O22 P8 -","2","1","","Smoleński, Piotr; Kłak, Julia; Nesterov, Dmytro S.; Kirillov, Alexander M.","Unique Mixed-Valence Cu(I)/Cu(II) Coordination Polymer with New Topology of Bitubular 1D Chains Driven by 1,3,5-Triaza-7-phosphaadamantane (PTA)","Crystal Growth & Design","2012","12","12","5852","","10.1021/cg301107k","","","0.71073","MoKα","","0.0738","0.0379","","","0.0739","0.0782","","","","","","0.908","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506938","7.506","0.004","11.972","0.007","15.631","0.009","86.158","0.01","79.073","0.01","81.553","0.01","1363.1","1.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H60 Cu2 N4 O24 P6 -","- C44 H56 Cu2 N4 O24 P6 -","- C44 H56 Cu2 N4 O24 P6 -","1","0.5","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.0701","0.0533","","","0.117","0.1252","","","","","","1.052","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506939","9.9084","0.0017","17.024","0.003","16.134","0.003","90","","106.403","0.002","90","","2610.7","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Cu2 N4 O22 P6 -","- C44 H50 Cu2 N4 O22 P6 -","- C88 H100 Cu4 N8 O44 P12 -","2","0.5","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.0347","0.0322","","","0.0895","0.0913","","","","","","1.029","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506940","7.434","0.0008","11.6079","0.0013","13.8609","0.0016","99.406","0.002","92.522","0.002","97.815","0.002","1166.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cu2 N4 O20 P4 -","- C40 H48 Cu2 N4 O20 P4 -","- C40 H48 Cu2 N4 O20 P4 -","1","0.5","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.0316","0.0296","","","0.0832","0.0847","","","","","","1.048","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506941","9.9763","0.0011","10.171","0.0011","11.3001","0.0013","110.125","0.002","108.317","0.002","92.168","0.002","1008.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cu N2 O7 P2 -","- C18 H19 Cu N2 O7 P2 -","- C36 H38 Cu2 N4 O14 P4 -","2","1","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.042","0.0342","","","0.0894","0.0925","","","","","","1.047","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506942","10.725","0.004","10.896","0.004","11.456","0.004","66.984","0.006","64.714","0.005","84.486","0.006","1110.1","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cu N2 O9 P2 -","- C20 H22 Cu N2 O9 P2 -","- C40 H44 Cu2 N4 O18 P4 -","2","1","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.0786","0.0607","","","0.1521","0.1628","","","","","","1.056","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506943","11.13","0.006","12.406","0.007","13.926","0.007","71.952","0.008","72.257","0.008","64.876","0.007","1621.4","1.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 Cu2 Mo2 N4 O14 P2 -","- C28 H26 Cu2 Mo2 N4 O14 P2 -","- C56 H52 Cu4 Mo4 N8 O28 P4 -","2","1","","Tripuramallu, Bharat Kumar; Mukherjee, Sandip; Das, Samar K.","Mechanistic Aspects for the Formation of Copper Dimer Bridged by Phosphonic Acid and Extending Its Dimensionality by Organic and Inorganic Linkers: Synthesis, Structural Characterization, Magnetic Properties, and Theoretical Studies","Crystal Growth & Design","2012","12","11","5579","","10.1021/cg3011162","","","0.71073","MoKα","","0.0333","0.0291","","","0.0704","0.0726","","","","","","1.065","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506944","29.597","0.002","12.3396","0.0007","8.1299","0.0004","90","","94.17","0.005","90","","2961.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Cu2 N5 O9 -","- C30 H26 Cu2 N5 O9 -","- C120 H104 Cu8 N20 O36 -","4","1","","Liu, Juan; Tan, Yan-Xi; Zhang, Jian","Redox Reaction Induced Structural Transformation among Three Copper Coordination Polymers","Crystal Growth & Design","2012","12","11","5164","","10.1021/cg301120b","","","0.71073","MoKα","","0.1035","0.0608","","","0.1379","0.1574","","","","","","1.055","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506945","9.2091","0.0007","22.7532","0.0016","23.0902","0.0012","90","","90","","90","","4838.2","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C43 H41 Cu3 N8 O10 -","- C43 H41 Cu3 N8 O10 -","- C172 H164 Cu12 N32 O40 -","4","0.5","","Liu, Juan; Tan, Yan-Xi; Zhang, Jian","Redox Reaction Induced Structural Transformation among Three Copper Coordination Polymers","Crystal Growth & Design","2012","12","11","5164","","10.1021/cg301120b","","","0.71073","MoKα","","0.1601","0.0851","","","0.2323","0.2755","","","","","","1.011","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506946","13.1172","0.001","14.4753","0.0007","12.7126","0.0009","90","","105.262","0.007","90","","2328.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cu N4 O5 -","- C23 H23 Cu N4 O5 -","- C92 H92 Cu4 N16 O20 -","4","1","","Liu, Juan; Tan, Yan-Xi; Zhang, Jian","Redox Reaction Induced Structural Transformation among Three Copper Coordination Polymers","Crystal Growth & Design","2012","12","11","5164","","10.1021/cg301120b","","","0.71073","MoKα","","0.0994","0.0785","","","0.2228","0.235","","","","","","1.1","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506947","8.4345","0.0007","18.6369","0.0015","11.8554","0.0009","90","","109.105","0.002","90","","1760.9","0.2","200","2","200","2","","","101.325","","","","Synthesis","5","P 1 21 1","P 2yb","4","Cyclic Thizole Peptide","Tricyclic Phenylalanine Thiazole Peptide","","- C37 H34 N3 O4 S3 -","- C37 H34 N6 O4 S3 -","- C74 H68 N12 O8 S6 -","2","1","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0324","0.03","","","0.0536","0.054","","","","","","1.87","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506948","12.3387","0.0016","12.3708","0.0016","15.603","0.002","74.361","0.002","85.392","0.003","60.48","0.002","1991.8","0.4","100","2","100","2","","","101.325","","","","Synthesis","5","P 1","P 1","1","Cyclic Thiazole Peptide","Tricyclic Phenylalanine Thiazole Peptide","","- C43 H38 N6 O3 S3 -","- C43 H38 N6 O3 S3 -","- C86 H76 N12 O6 S6 -","2","2","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0639","0.0467","","","0.102","0.1095","","","","","","1.014","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506949","12.3346","0.0012","12.428","0.0013","15.3231","0.0016","76.445","0.002","85.581","0.002","60.33","0.002","1982","0.4","100","2","100","2","","","101.325","","","","","6","P 1","P 1","1","Cyclic Thiazole peptide","Tricyclic Phethiazole peptide","","- C42 H35 Cl N6 O3 S3 -","- C42 H35 Cl N6 O3 S3 -","- C84 H70 Cl2 N12 O6 S6 -","2","2","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0401","0.0398","","","0.1059","0.1063","","","","","","1.022","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506950","12.415","0.0012","12.415","0.0012","44.499","0.005","90","","90","","120","","5939.8","1.1","200","2","200","2","","","101.325","","","","Synthesis","5","P 32","P 32","145","Tricyclic Phethiazole peptide","Tricyclic Phethiazole peptide","","- C40 H38 N6 O5 S3 -","- C40 H38 N6 O5 S3 -","- C240 H228 N36 O30 S18 -","6","2","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0849","0.0641","","","0.1495","0.1622","","","","","","1.081","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506951","10.477","0.003","18.005","0.005","22.648","0.006","90","","90","","90","","4272","2","100","2","100","2","","","101.325","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","Cyclic peptide","Tyrosine tricyclic Thz peptide","","- C46 H44 N6 O6 S3 -","- C46 H44 N6 O6 S3 -","- C184 H176 N24 O24 S12 -","4","1","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0375","0.033","","","0.0876","0.091","","","","","","1.07","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506952","15.976","0.005","10.016","0.003","17.742","0.005","90","","105.468","0.005","90","","2736.2","1.4","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Cd3 N8 O18 -","- C52 H44 Cd3 N8 O18 -","- C104 H88 Cd6 N16 O36 -","2","0.5","","Guo, Jie; Sun, Di; Zhang, Liangliang; Yang, Qiao; Zhao, Xiaoliang; Sun, Daofeng","Cadmium‒Organic Coordination Polymers Based on N-Donor Ligands and Small Anions: Syntheses, Crystal Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","11","5649","","10.1021/cg301148p","","","0.71073","MoKα","","0.0442","0.0314","","","0.0834","0.1086","","","","","","1.175","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506953","16.135","0.003","17.894","0.004","13.461","0.003","90","","92.118","0.003","90","","3883.8","1.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Cd2 N16 O14 -","- C30 H28 Cd2 N16 O14 -","- C120 H112 Cd8 N64 O56 -","4","0.5","","Guo, Jie; Sun, Di; Zhang, Liangliang; Yang, Qiao; Zhao, Xiaoliang; Sun, Daofeng","Cadmium‒Organic Coordination Polymers Based on N-Donor Ligands and Small Anions: Syntheses, Crystal Structures, and Photoluminescent Properties","Crystal Growth & Design","2012","12","11","5649","","10.1021/cg301148p","","","0.71073","MoKα","","0.0414","0.0276","","","0.0644","0.07","","","","","","1.032","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506954","12.777","0.003","10.638","0.002","21.391","0.004","90","","90","","90","","2907.5","1","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","1,2,4,5-tetrakis-perfluorobutyl-benzene","","","- C22 H2 F36 -","- C22 H2 F36 -","- C88 H8 F144 -","4","0.5","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.0779","0.0738","","","0.1692","0.1711","","","","","","1.317","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506955","17.054","0.003","5.6576","0.001","17.726","0.003","90","","90.796","0.002","90","","1710.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,3,6,8-tetrakis(nonafluorobutyl)pyrene","","","- C32 H6 F36 -","- C32 H6 F36 -","- C64 H12 F72 -","2","0.5","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.1013","0.0798","","","0.2133","0.2357","","","","","","1.071","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506956","6.2272","0.0008","15.073","0.002","15.876","0.002","83.884","0.002","86.413","0.002","88.345","0.002","1478.4","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","TetraC8F17anthracene","2,6,9,10-tetraperfluorooctyl anthracene","","- C46 H6 F68 -","- C46 H6 F68 -","- C46 H6 F68 -","1","0.5","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.1456","0.0895","","","0.2423","0.2862","","","","","","1.065","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506957","10.0692","0.0019","10.54","0.002","23.903","0.005","90","","90","","90","","2536.8","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","3,8-bis-perfluorobuytl-1,10-phenanthroline","","","- C21 H7 Cl3 F18 N2 -","- C21 H7 Cl3 F18 N2 -","- C84 H28 Cl12 F72 N8 -","4","1","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.0566","0.054","","","0.1406","0.1441","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506958","5.0202","0.0015","5.2709","0.0016","18.535","0.006","85.068","0.003","85.602","0.003","88.84","0.003","487.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4,4'-di-perfluorobutyl-2,2'-bipyridine","","","- C18 H6 F18 N2 -","- C18 H6 F18 N2 -","- C18 H6 F18 N2 -","1","0.5","","Sun, Haoran; Tottempudi, Usha K.; Mottishaw, Jeffery D.; Basa, Prem N.; Putta, Anjaneyulu; Sykes, Andrew G.","Strengthening π‒π Interactions While Suppressing Csp2‒H···π (T-Shaped) Interactions via Perfluoroalkylation: A Crystallographic and Computational Study That Supports the Beneficial Formation of 1-D π‒π Stacked Aromatic Materials","Crystal Growth & Design","2012","12","11","5655","","10.1021/cg301151u","","","0.71073","MoKα","","0.0368","0.0347","","","0.0885","0.0896","","","","","","1.15","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506959","8.0013","0.0004","4.5675","0.0002","9.0794","0.0006","90","","101.639","0.006","90","","324.99","0.03","100","0.3","100","0.3","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite II","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Piechota, Jacek; Żukowska, Grażyna Z.; Zalewska, Aldona; Zachara, Janusz","As2O3Polymorphs: Theoretical Insight into Their Stability and Ammonia Templated Claudetite II Crystallization","Crystal Growth & Design","2012","12","11","5663","","10.1021/cg3011579","","","0.71073","MoKα","","0.0318","0.0266","","","0.0575","0.0601","","","","","","1.08","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506960","8.0131","0.0014","4.5717","0.0007","9.1154","0.0015","90","","101.831","0.018","90","","326.84","0.1","298","0.1","298","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite II","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Dranka, Maciej; Piechota, Jacek; Żukowska, Grażyna Z.; Zalewska, Aldona; Zachara, Janusz","As2O3Polymorphs: Theoretical Insight into Their Stability and Ammonia Templated Claudetite II Crystallization","Crystal Growth & Design","2012","12","11","5663","","10.1021/cg3011579","","","0.71073","MoKα","","0.0298","0.0255","","","0.0547","0.0565","","","","","","1.04","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506961","10.2638","0.0013","8.961","0.0011","15.866","0.002","90","","98.206","0.002","90","","1444.3","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C64 H76 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0415","0.0369","","","0.0873","0.0909","","","","","","1.033","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506962","10.9861","0.0008","9.1163","0.0007","14.2512","0.0011","90","","100.187","0.001","90","","1404.79","0.18","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H38 N2 O2 -","- C33 H38 N2 O2 -","- C66 H76 N4 O4 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0386","0.033","","","0.068","0.0708","","","","","","1.036","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506963","5.837","0.003","14.312","0.006","22.631","0.01","90","","90","","90","","1890.6","1.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.1088","0.0604","","","0.13","0.1553","","","","","","0.948","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506964","15.381","0.0008","16.9537","0.0008","27.1224","0.0013","90","","90","","90","","7072.6","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C312 H384 N24 O24 -","12","3","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0766","0.0447","","","0.0941","0.1063","","","","","","1.013","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506965","10.383","0.0009","8.9794","0.0008","30.831","0.003","90","","99.111","0.001","90","","2838.2","0.4","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O3 -","- C30 H42 N2 O3 -","- C120 H168 N8 O12 -","4","2","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0477","0.0413","","","0.109","0.1135","","","","","","1.273","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506966","10.0377","0.0007","9.2231","0.0006","15.3376","0.001","90","","101.249","0.001","90","","1392.66","0.16","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O3 -","- C30 H42 N2 O3 -","- C60 H84 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0354","0.0331","","","0.0768","0.0783","","","","","","1.003","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506967","8.854","0.002","9.526","0.002","35.751","0.008","90","","90","","90","","3015.4","1.1","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 N2 O3 -","- C33 H40 N2 O3 -","- C132 H160 N8 O12 -","4","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.1937","0.0584","","","0.1074","0.1678","","","","","","0.929","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506968","9.5874","0.0007","9.164","0.0007","17.6153","0.0013","90","","93.37","0.001","90","","1545","0.2","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H44 N2 O3 -","- C35 H44 N2 O3 -","- C70 H88 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0366","0.0329","","","0.0702","0.0722","","","","","","1.031","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506969","9.192","0.0005","9.7676","0.0006","17.7719","0.001","94.216","0.002","90.984","0.003","92.364","0.003","1589.63","0.16","173","","173","","","","","","","","","4","P 1","P 1","1","","","","- C36 H46 N2 O3 -","- C36 H46 N2 O3 -","- C72 H92 N4 O6 -","2","2","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","1.54178","CuKα","","0.0884","0.0869","","","0.2193","0.2231","","","","","","1.041","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506970","9.6097","0.0002","9.3101","0.0002","17.5278","0.0003","90","","93.71","0.001","90","","1564.88","0.05","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H43 Cl N2 O3 -","- C35 H43 Cl N2 O3 -","- C70 H86 Cl2 N4 O6 -","2","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","1.54178","CuKα","","0.0447","0.0443","","","0.1211","0.1217","","","","","","1.059","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506971","14.55","0.001","14.55","0.001","29.538","0.003","90","","90","","120","","5415.5","0.8","150","2","150","2","","","","","","","","5","P 64","P 64","172","Hexagram-Type Topology Lamivudine Duplex","lamivudine 0.67-hydrate","","- C24 H37 N9 O11 S3 -","- C24 H37 N9 O11 S3 -","- C144 H222 N54 O66 S18 -","6","1","","Ellena, Javier; Bocelli, Marcio D.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Martins, Felipe T.","Base-Paired and Base-Stacked Structures of the Anti-HIV Drug Lamivudine: A Nucleoside DNA-Mimicry with Unprecedented Topology","Crystal Growth & Design","2012","12","10","5138","","10.1021/cg3011794","","","0.71073","MoKα","","0.1574","0.0939","","","0.2395","0.2677","","","","","","1.049","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506972","6.972","0.005","12.167","0.007","13.867","0.008","100.52","0.03","93.15","0.04","91.43","0.04","1154.1","1.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","lamivudine hemihydrochloride hemihydrate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hemihydrochloride hemihydrate","","- C16 H25 Cl N6 O7 S2 -","- C16 H25 Cl N6 O7 S2 -","- C32 H50 Cl2 N12 O14 S4 -","2","2","","Ellena, Javier; Bocelli, Marcio D.; Honorato, Sara B.; Ayala, Alejandro P.; Doriguetto, Antônio C.; Martins, Felipe T.","Base-Paired and Base-Stacked Structures of the Anti-HIV Drug Lamivudine: A Nucleoside DNA-Mimicry with Unprecedented Topology","Crystal Growth & Design","2012","12","10","5138","","10.1021/cg3011794","","","0.71073","MoKα","","0.1909","0.1039","","","0.2429","0.2912","","","","","","1.098","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506973","24","0.003","11.0768","0.0014","34.991","0.005","90","","99.66","0.002","90","","9170","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H76 Mn3 N4 O23 -","- C68 H64 Mn3 N4 O23 -","- C272 H256 Mn12 N16 O92 -","4","0.5","","Yi, Fei-Yan; Sun, Zhong-Ming","Solvent-Controlled Syntheses, Structure, and Magnetic Properties of Trinuclear Mn(II)-Based Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","11","5693","","10.1021/cg3011844","","","0.71073","MoKα","","0.0793","0.0631","","","0.1942","0.207","","","","","","1.095","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506974","26.418","0.0014","10.3733","0.0006","34.2804","0.0018","90","","103.138","0.001","90","","9148.4","0.9","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C82 H112 Mn3 N10 O31 -","- C82 H110 Mn3 N10 O31 -","- C328 H440 Mn12 N40 O124 -","4","1","","Yi, Fei-Yan; Sun, Zhong-Ming","Solvent-Controlled Syntheses, Structure, and Magnetic Properties of Trinuclear Mn(II)-Based Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","11","5693","","10.1021/cg3011844","","","0.71073","MoKα","","0.0706","0.0552","","","0.1405","0.153","","","","","","1.003","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506975","24.2334","0.0019","11.3031","0.0009","36.079","0.003","90","","98.213","0.002","90","","9781.1","1.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H51 Mn3 N O22 -","- C55 H51 Mn3 N O22 -","- C220 H204 Mn12 N4 O88 -","4","1","","Yi, Fei-Yan; Sun, Zhong-Ming","Solvent-Controlled Syntheses, Structure, and Magnetic Properties of Trinuclear Mn(II)-Based Metal‒Organic Frameworks","Crystal Growth & Design","2012","12","11","5693","","10.1021/cg3011844","","","0.71073","MoKα","","0.0772","0.0433","","","0.0824","0.0871","","","","","","0.912","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506976","12.1981","0.0013","4.6782","0.0005","15.3941","0.0013","90","","122.302","0.006","90","","742.52","0.14","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C13 H14 Cl2 N4 O Zn -","- C13 H14 Cl2 N4 O Zn -","- C26 H28 Cl4 N8 O2 Zn2 -","2","0.5","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0232","0.0218","","","0.0683","0.07","","","","","","1.137","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506977","25.141","0.006","9.081","0.002","18.154","0.004","90","","103.459","0.003","90","","4030.8","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Cl2 N4 O Zn -","- C19 H20 Cl2 N4 O Zn -","- C152 H160 Cl16 N32 O8 Zn8 -","8","1","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0914","0.0673","","","0.208","0.2942","","","","","","1.335","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506978","24.0201","0.0011","17.8559","0.0008","18.0012","0.0008","90","","90.163","0.001","90","","7720.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Cl4 N8 O2 Zn2 -","- C34 H38 Cl4 N8 O2 Zn2 -","- C272 H304 Cl32 N64 O16 Zn16 -","8","2","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0927","0.065","","","0.1337","0.1428","","","","","","1.149","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506979","13.0778","0.001","9.3016","0.0007","16.7013","0.0012","90","","107.963","0.002","90","","1932.6","0.3","100","2","100","2","","","","","","","","6","P 1 2 1","P 2y","3","","","","- C34 H38 Cl4 N8 O2 Zn2 -","- C34 H38 Cl4 N8 O2 Zn2 -","- C68 H76 Cl8 N16 O4 Zn4 -","2","1","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0483","0.0361","","","0.069","0.0737","","","","","","0.967","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506980","16.664","0.003","13.496","0.002","15.194","0.002","90","","114.342","0.004","90","","3113.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl4 N8 O2 Zn2 -","- C26 H25 Cl4 N8 O2 Zn2 -","- C104 H100 Cl16 N32 O8 Zn8 -","4","1","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0569","0.0359","","","0.0822","0.0922","","","","","","1.026","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506981","16.7703","0.0019","13.453","0.0015","15.1615","0.0017","90","","114.853","0.002","90","","3103.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Cl4 N8 O2 Zn2 -","- C25 H23 Cl4 N8 O2 Zn2 -","- C100 H92 Cl16 N32 O8 Zn8 -","4","1","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","Solvent-Driven Structural Diversities in ZnIICoordination Polymers and Complexes Derived from Bis-pyridyl Ligands Equipped with a Hydrogen-Bond-Capable Urea Backbone","Crystal Growth & Design","2012","12","12","6061","","10.1021/cg301190d","","","0.71073","MoKα","","0.0746","0.0479","","","0.1388","0.1599","","","","","","1.007","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506982","9.6056","0.001","21.931","0.002","4.8504","0.0005","90","","90","","90","","1021.79","0.18","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C7 H4 Cu3 N5 -","- C7 H4 Cu3 N5 -","- C28 H16 Cu12 N20 -","4","0.5","","Qin, Ying-Lian; Liu, Jiang; Hou, Juan-Juan; Yao, Ru-Xin; Zhang, Xian-Ming","Reconstruction of a (6,3) Brick Wall Sheet Giving an Unprecedented Shubnikov-type (5,34) Sheet in Luminescent Cuprous Cyanide Supramolecular Isomers of Pseudo-polyrotaxane","Crystal Growth & Design","2012","12","12","6068","","10.1021/cg301192y","","","0.71073","MoKα","","0.0344","0.0311","","","0.0826","0.0921","","","","","","1.23","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506983","15.958","0.008","9.652","0.005","27.058","0.013","90","","97.955","0.009","90","","4128","4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Cu3 N5 -","- C7 H4 Cu3 N5 -","- C112 H64 Cu48 N80 -","16","2","","Qin, Ying-Lian; Liu, Jiang; Hou, Juan-Juan; Yao, Ru-Xin; Zhang, Xian-Ming","Reconstruction of a (6,3) Brick Wall Sheet Giving an Unprecedented Shubnikov-type (5,34) Sheet in Luminescent Cuprous Cyanide Supramolecular Isomers of Pseudo-polyrotaxane","Crystal Growth & Design","2012","12","12","6068","","10.1021/cg301192y","","","0.71073","MoKα","","0.0846","0.0445","","","0.1071","0.1279","","","","","","1.021","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506984","14.7134","0.0002","14.7134","0.0002","37.5243","0.0005","90","","90","","120","","7035.08","0.16","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C42 H44 B2 F8 Fe N12 O4 -","- C42 H36 Fe N12 -","- C252 H216 Fe6 N72 -","6","0.333333","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.041","0.0374","","","0.1055","0.1078","","","","","","1.099","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506985","14.553","0.003","14.553","0.003","68.745","0.016","90","","90","","120","","12609","5","180","2","180","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C67 H66 B4 F16 Fe2 N28 O4 -","- C66 H54 Fe2 N24 -","- C396 H324 Fe12 N144 -","6","0.166667","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.0682","0.0459","","","0.1201","0.1268","","","","","","1.031","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506986","13.8629","0.0005","17.9032","0.0006","17.9445","0.001","109.529","0.003","101.269","0.003","103.509","0.002","3895.3","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H68.5 B4 F16 Fe2 N28.5 O1.5 -","- C59 H48 B3 F12 Fe2 N27 O1.5 -","- C118 H96 B6 F24 Fe4 N54 O3 -","2","1","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.0705","0.0598","","","0.1732","0.1815","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506987","14.6131","0.0004","14.6131","0.0004","68.83","0.002","90","","90","","120","","12729","0.6","180","2","180","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C23 H20 B4 Cl8 F16 N2 Ni2 O2 -","- C35.5 H27 B3 Cl3 F12 N12 Ni O1.75 -","- C426 H324 B36 Cl36 F144 N144 Ni12 O21 -","12","0.333333","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.1782","0.1302","","","0.282","0.2859","","","","","","7.396","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506988","51.649","0.003","14.9251","0.0008","26.583","0.0015","90","","108.648","0.003","90","","19416.1","1.9","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C93 H92.5 B4 F16 Fe2 N26.5 O2.5 -","- C78 H60 B4 F16 Fe2 N24 -","- C624 H480 B32 F128 Fe16 N192 -","8","1","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.1493","0.089","","","0.2294","0.2585","","","","","","0.929","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506989","14.0334","0.0006","18.0136","0.0007","18.0881","0.0007","109.952","0.002","101.607","0.002","103.647","0.002","3973.1","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H67 B4 F16 N28 Ni2 O1.5 -","- C59 H48 B3 F12 N27 Ni2 O1.5 -","- C118 H96 B6 F24 N54 Ni4 O3 -","2","1","","Stevenson, Kristina A.; Melan, Caroline F. C.; Fleischel, Olivier; Wang, Ruiyao; Petitjean, Anne","Solid-State Self-Assembly of Triazolylpyridine-Based Helicates and Mesocate: Control of the Metal‒Metal Distances","Crystal Growth & Design","2012","12","11","5169","","10.1021/cg301197w","","","0.71073","MoKα","","0.0615","0.0504","","","0.1501","0.1575","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506990","19.6403","0.0015","21.9093","0.0011","14.9888","0.0006","90","","90","","90","","6449.8","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 Co2 N6 O12 -","- C77.028 H50 Co2 N6 O12.028 -","- C308.112 H200 Co8 N24 O48.112 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.17","0.0736","","","0.1393","0.1744","","","","","","1.053","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4506991","19.5953","0.0012","22.1837","0.001","14.9874","0.0008","90","","90","","90","","6515","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 Mn2 N6 O12 -","- C77 H50 Mn2 N6 O12 -","- C308 H200 Mn8 N24 O48 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.2137","0.1192","","","0.1733","0.202","","","","","","1.194","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506992","19.4437","0.0014","22.1871","0.0009","14.9011","0.0008","90","","90","","90","","6428.3","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 N6 O12 Zn2 -","- C77 H50 N6 O12 Zn2 -","- C308 H200 N24 O48 Zn8 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.2085","0.106","","","0.1515","0.1811","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506993","19.5908","0.0009","22.1822","0.0012","15.0328","0.0005","90","","90","","90","","6532.8","0.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C77 H58 Cd2 N6 O12 -","- C77 H36 Cd2 N6 O12 -","- C308 H144 Cd8 N24 O48 -","4","0.5","","Guo, Jiao; Ma, Jian-Fang; Li, Jun-Jie; Yang, Jin; Xing, Shuang-Xi","Unusual 2D →3D Polycatenane Frameworks Based on 1D →2D Interdigitated Layers: From Single Crystals to Submicrometer Fibers with Enhanced UV Photocatalytic Degradation Performances","Crystal Growth & Design","2012","12","12","6074","","10.1021/cg301208d","","","0.71073","MoKα","","0.2136","0.1085","","","0.1532","0.1823","","","","","","1.169","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506994","4.5887","0.0001","16.7619","0.0002","11.7853","0.0002","90","","91.852","0.001","90","","906","0.03","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ferulic acid","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Thomas, Sajesh P.; Pavan, Mysore S.; Guru Row, Tayur N.","Charge Density Analysis of Ferulic Acid: Robustness of a Trifurcated C‒H···O Hydrogen Bond","Crystal Growth & Design","2012","12","12","6083","","10.1021/cg301211h","","x-ray","0.71073","MoKα","","0.045","0.025","","","","0.076","","","","","","1.145","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506995","8.708","0.0017","19.666","0.004","11.532","0.002","90","","96.7","0.03","90","","1961.4","0.7","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H41 Cl2 N O17 S -","- C38 H41 Cl2 N O17 S -","- C76 H82 Cl4 N2 O34 S2 -","2","1","","Aitipamula, Srinivasulu; Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","Cocrystal Hydrate of an Antifungal Drug, Griseofulvin, with Promising Physicochemical Properties","Crystal Growth & Design","2012","12","12","5858","","10.1021/cg3012124","","","0.71073","MoKα","","0.0483","0.0464","","","0.1216","0.1275","","","","","","1.124","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506996","25.183","0.001","25.183","0.001","13.23","0.001","90","","90","","120","","7266.2","0.7","153","2","153","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C43 H26 S2 -","- C42 H26 S2 -","- C378 H234 S18 -","9","0.5","","Mosca, Lorenzo; Koutník, Petr; Lynch, Vincent M.; Zyryanov, Grigory V.; Esipenko, Nina A.; Anzenbacher, Pavel","Host‒Guest Complexes of Pentiptycene Receptors Display Edge-to-Face Interaction","Crystal Growth & Design","2012","12","12","6104","","10.1021/cg301238e","","","0.71075","MoKα","","0.1169","0.0591","","","0.1445","0.1586","","","","","","1.12","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506997","13.331","0.001","15.43","0.001","15.714","0.001","116.148","0.003","89.981","0.003","91.659","0.002","2900","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C74 H54 S4 -","- C74 H54 S4 -","- C148 H108 S8 -","2","1","","Mosca, Lorenzo; Koutník, Petr; Lynch, Vincent M.; Zyryanov, Grigory V.; Esipenko, Nina A.; Anzenbacher, Pavel","Host‒Guest Complexes of Pentiptycene Receptors Display Edge-to-Face Interaction","Crystal Growth & Design","2012","12","12","6104","","10.1021/cg301238e","","","0.71075","MoKα","","0.3355","0.0961","","","0.1741","0.2434","","","","","","1.007","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506998","11.9483","0.0003","13.1865","0.0003","17.0077","0.0004","110.779","0.001","101.548","0.001","102.815","0.002","2325.86","0.1","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H40 N2 O4 S2 -","- C62 H40 N2 O4 S2 -","- C124 H80 N4 O8 S4 -","2","1","","Mosca, Lorenzo; Koutník, Petr; Lynch, Vincent M.; Zyryanov, Grigory V.; Esipenko, Nina A.; Anzenbacher, Pavel","Host‒Guest Complexes of Pentiptycene Receptors Display Edge-to-Face Interaction","Crystal Growth & Design","2012","12","12","6104","","10.1021/cg301238e","","","0.71073","MoKα","","0.1376","0.0566","","","0.1049","0.1297","","","","","","1.007","","","","has coordinates,has disorder","179605","2020-10-21","18:00:00",""
"4506999","9.3494","0.0008","9.8538","0.0008","11.6417","0.001","66.017","0.002","80.975","0.002","79.106","0.002","958.42","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cl2 N2 O4 -","- C17 H20 Cl2 N2 O4 -","- C34 H40 Cl4 N4 O8 -","2","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0489","0.0413","","","0.1069","0.1126","","","","","","1.044","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507000","31.452","0.014","8.566","0.004","14.084","0.006","90","","94.166","0.012","90","","3784","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Br2 N2 O4 -","- C17 H20 Br2 N2 O4 -","- C136 H160 Br16 N16 O32 -","8","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0902","0.0597","","","0.1598","0.1853","","","","","","1.03","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507001","31.0773","0.0016","8.6307","0.0004","13.9773","0.0008","90","","92.585","0.003","90","","3745.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl2 N2 O4 -","- C17 H20 Cl2 N2 O4 -","- C136 H160 Cl16 N16 O32 -","8","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0721","0.0523","","","0.1399","0.1629","","","","","","1.028","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507002","6.0525","0.0008","11.1914","0.0015","27.389","0.004","90","","90","","90","","1855.2","0.4","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0842","0.0662","","","0.1794","0.1939","","","","","","1.036","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507003","13.6068","0.0008","21.642","0.0016","7.2516","0.0004","90","","114.749","0.002","90","","1939.3","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H22 N4 O9 -","- C17 H22 N4 O9 -","- C68 H88 N16 O36 -","4","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0242","0.0239","","","0.0664","0.0669","","","","","","1.043","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507004","10.909","0.003","7.2025","0.0019","24.021","0.006","90","","92.48","0.005","90","","1885.6","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N4 O8 -","- C17 H20 N4 O8 -","- C68 H80 N16 O32 -","4","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0529","0.0479","","","0.1168","0.1233","","","","","","1.135","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507005","12.1274","0.001","6.7704","0.0005","13.3758","0.0011","90","","110.854","0.003","90","","1026.31","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br2 N2 O4 -","- C18 H22 Br2 N2 O4 -","- C36 H44 Br4 N4 O8 -","2","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.043","0.0346","","","0.0896","0.096","","","","","","1.049","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507006","9.1404","0.0005","10.8543","0.0005","9.8631","0.0005","90","","104.744","0.001","90","","946.32","0.08","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C18 H22 N4 O8 -","- C18 H22 N4 O8 -","- C36 H44 N8 O16 -","2","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0238","0.0235","","","0.0638","0.0642","","","","","","1.078","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507007","6.13","0.005","22.51","0.018","7.092","0.006","90","","92.88","0.02","90","","977.4","1.4","298","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O8 -","- C18 H22 N4 O8 -","- C36 H44 N8 O16 -","2","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0694","0.0422","","","0.0928","0.1076","","","","","","1.035","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507008","11.8211","0.001","6.1532","0.0007","14.5302","0.0014","90","","105.997","0.004","90","","1015.96","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br2 N2 O4 -","- C18 H22 Br2 N2 O4 -","- C36 H44 Br4 N4 O8 -","2","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0442","0.0348","","","0.0858","0.0913","","","","","","1.081","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507009","11.6323","0.0016","6.1923","0.0008","14.4409","0.0018","90","","106.035","0.002","90","","999.7","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N2 O4 -","- C18 H22 Cl2 N2 O4 -","- C36 H44 Cl4 N4 O8 -","2","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0416","0.0373","","","0.0998","0.1041","","","","","","1.044","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507010","13.5398","0.0006","7.1069","0.0003","22.1324","0.0009","90","","104.977","0.002","90","","2057.37","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C80 H112 N8 O20 -","4","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.066","0.0588","","","0.1555","0.1666","","","","","","1.086","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507011","11.421","0.007","6.341","0.004","14.374","0.008","90","","101.184","0.01","90","","1021.2","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O8 -","- C18 H22 N4 O8 -","- C36 H44 N8 O16 -","2","0.5","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0568","0.0482","","","0.1184","0.1266","","","","","","1.048","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507012","7.113","0.003","8.983","0.004","12.204","0.006","68.674","0.008","75.365","0.012","67.265","0.008","664.2","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N O2 -","- C17 H16 N O2 -","- C34 H32 N2 O4 -","2","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0463","0.0403","","","0.1174","0.1241","","","","","","1.093","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507013","6.889","0.003","7.714","0.003","11.936","0.005","88.649","0.009","82.404","0.008","64.29","0.008","566.1","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N O4 -","- C12 H12 N O4 -","- C24 H24 N2 O8 -","2","1","","Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi","Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts","Crystal Growth & Design","2012","12","12","5864","","10.1021/cg301242p","","","0.71073","MoKα","","0.0909","0.054","","","0.155","0.1803","","","","","","1.082","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507014","6.4485","0.0017","8.177","0.002","13.989","0.004","101.84","0.004","95.145","0.005","103.562","0.004","694.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 N4 O4 -","- C28 H40 N4 O4 -","- C28 H40 N4 O4 -","1","0.5","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.0932","0.0766","","","0.2081","0.2211","","","","","","1.097","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507015","8.568","0.01","9.238","0.01","10.972","0.012","98.503","0.014","105.534","0.014","103.485","0.014","792.9","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H48 N4 O4 -","- C30 H34 N4 O4 -","- C30 H34 N4 O4 -","1","0.5","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.1303","0.1186","","","0.3442","0.3589","","","","","","1.578","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507016","22.153","0.003","9.7615","0.0012","17.488","0.002","90","","98.224","0.003","90","","3742.8","0.8","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C38 H56 N4 O4 -","- C38 H56 N4 O4 -","- C152 H224 N16 O16 -","4","1","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.0619","0.0429","","","0.1133","0.1256","","","","","","1.024","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507017","19.997","0.003","19.53","0.003","7.7853","0.0011","90","","95.823","0.004","90","","3024.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N4 O4 -","- C32 H44 N4 O4 -","- C128 H176 N16 O16 -","4","1","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.1058","0.0812","","","0.2257","0.2489","","","","","","1.085","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507018","8.1405","0.0013","11.1094","0.0018","11.6064","0.0019","108.919","0.003","109.462","0.003","101.428","0.004","879.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 N4 O4 -","- C34 H38 N4 O4 -","- C34 H38 N4 O4 -","1","0.5","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.1909","0.1536","","","0.383","0.4161","","","","","","1.208","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507019","7.721","0.003","14.566","0.006","17.327","0.007","90","","94.155","0.006","90","","1943.5","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 N4 O4 -","- C21 H30 N2 O2 -","- C84 H120 N8 O8 -","4","1","","Sahoo, Pathik; Dastidar, Parthasarathi","Secondary Ammonium Dicarboxylate (SAD)—A Supramolecular Synthon in Designing Low Molecular Weight Gelators Derived from Azo-Dicarboxylates","Crystal Growth & Design","2012","12","12","5917","","10.1021/cg301245c","","","0.71073","MoKα","","0.1261","0.1136","","","0.2859","0.296","","","","","","1.151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507020","15.7674","0.0018","13.3128","0.0015","12.28","0.0014","90","","95.71","0.02","90","","2564.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone dihydrochloride","","- C25 H36 Cl2 N2 O3 -","- C25 H36 Cl2 N2 O3 -","- C100 H144 Cl8 N8 O12 -","4","1","","Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Pirogov, Sergey V.; Nikulenkova, Tamara F.; Tumanova, Ekaterina V.; Lonin, Ivan S.; Paseshnichenko, Ksenia A.; Mironov, Andrei V.; Velikodny, Yurii A.","Two Anhydrous and a Trihydrate Form of Tilorone Dihydrochloride: Hydrogen-Bonding Patterns and Reversible Hydration/Dehydration Solid-State Transformation","Crystal Growth & Design","2012","12","12","6118","","10.1021/cg3012475","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.061","1.695","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507021","17.7102","0.0019","13.3601","0.0017","12.1598","0.0016","90","","96.39","0.02","90","","2859.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone dihydrochloride trihydrate","","- C25 H42 Cl2 N2 O6 -","- C25 H42 Cl2 N2 O6 -","- C100 H168 Cl8 N8 O24 -","4","1","","Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Pirogov, Sergey V.; Nikulenkova, Tamara F.; Tumanova, Ekaterina V.; Lonin, Ivan S.; Paseshnichenko, Ksenia A.; Mironov, Andrei V.; Velikodny, Yurii A.","Two Anhydrous and a Trihydrate Form of Tilorone Dihydrochloride: Hydrogen-Bonding Patterns and Reversible Hydration/Dehydration Solid-State Transformation","Crystal Growth & Design","2012","12","12","6118","","10.1021/cg3012475","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.061","1.695","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507022","18.768","0.0017","19.6955","0.0019","6.945","0.0011","90","","95.096","0.018","90","","2557","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone dihydrochloride","","- C25 H36 Cl2 N2 O3 -","- C25 H36 Cl2 N2 O3 -","- C100 H144 Cl8 N8 O12 -","4","1","","Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Pirogov, Sergey V.; Nikulenkova, Tamara F.; Tumanova, Ekaterina V.; Lonin, Ivan S.; Paseshnichenko, Ksenia A.; Mironov, Andrei V.; Velikodny, Yurii A.","Two Anhydrous and a Trihydrate Form of Tilorone Dihydrochloride: Hydrogen-Bonding Patterns and Reversible Hydration/Dehydration Solid-State Transformation","Crystal Growth & Design","2012","12","12","6118","","10.1021/cg3012475","powder diffraction","","1.78897","CoKα~1~","","","","","","","","","0.059","1.352","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507023","10.7146","0.001","12.9385","0.0012","20.8587","0.0016","90","","120.343","0.003","90","","2495.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N5 O11 Sm -","- C22 H18 Co N5 O11 Sm -","- C88 H72 Co4 N20 O44 Sm4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0496","0.0333","","","0.0746","0.0831","","","","","","1.068","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507024","10.646","0.0013","12.7722","0.0016","20.8458","0.0019","90","","120.083","0.004","90","","2452.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N5 Ni O9 Sm -","- C22 H14 N5 Ni O9 Sm -","- C88 H56 N20 Ni4 O36 Sm4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.1094","0.0553","","","0.0799","0.0973","","","","","","1.011","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507025","10.6989","0.0019","12.978","0.002","20.804","0.003","90","","120.242","0.006","90","","2495.5","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co Eu N5 O11 -","- C22 H18 Co Eu N5 O11 -","- C88 H72 Co4 Eu4 N20 O44 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0565","0.0386","","","0.0898","0.0996","","","","","","1.075","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507026","11.062","0.002","13.563","0.003","20.895","0.004","90","","121.247","0.008","90","","2680.2","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cd Eu N5 O11 -","- C22 H18 Cd Eu N5 O11 -","- C88 H72 Cd4 Eu4 N20 O44 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0627","0.0394","","","0.0828","0.0943","","","","","","1.051","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507027","10.735","0.003","12.978","0.004","20.868","0.005","90","","120.266","0.011","90","","2511","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Eu N5 O11 Zn -","- C22 H18 Eu N5 O11 Zn -","- C88 H72 Eu4 N20 O44 Zn4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0534","0.0366","","","0.0804","0.0888","","","","","","1.059","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507028","10.6962","0.0015","12.9763","0.0018","20.7848","0.0019","90","","120.299","0.005","90","","2490.8","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co Gd N5 O11 -","- C22 H18 Co Gd N5 O11 -","- C88 H72 Co4 Gd4 N20 O44 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0411","0.0305","","","0.0689","0.0739","","","","","","1.074","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507029","11.0308","0.001","13.5717","0.0012","20.893","0.0015","90","","121.259","0.003","90","","2673.8","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cd Gd N5 O11 -","- C22 H18 Cd Gd N5 O11 -","- C88 H72 Cd4 Gd4 N20 O44 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0322","0.0272","","","0.0671","0.0694","","","","","","1.077","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507030","10.6675","0.0015","12.9658","0.0018","20.713","0.0019","90","","120.068","0.005","90","","2479.3","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N5 O11 Tb -","- C22 H18 Co N5 O11 Tb -","- C88 H72 Co4 N20 O44 Tb4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0285","0.0243","","","0.0595","0.0615","","","","","","1.078","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507031","10.9838","0.0019","13.543","0.002","20.83","0.003","90","","121.372","0.006","90","","2645.5","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cd N5 O10 Tb -","- C22 H16 Cd N5 O10 Tb -","- C88 H64 Cd4 N20 O40 Tb4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.1201","0.0928","","","0.2208","0.2373","","","","","","1.093","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507032","10.6901","0.0012","12.9647","0.0015","20.7464","0.0018","90","","120.143","0.004","90","","2486.5","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N5 O11 Tb Zn -","- C22 H18 N5 O11 Tb Zn -","- C88 H72 N20 O44 Tb4 Zn4 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","A Series of New Three-Dimensional d‒f Heterometallic Coordination Polymers with Rare 10-ConnectedbctNet Topology Based on Planar Hexanuclear Heterometallic Second Building Units","Crystal Growth & Design","2012","12","11","5737","","10.1021/cg301256g","","","0.71073","MoKα","","0.0531","0.0375","","","0.0744","0.0806","","","","","","1.08","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507033","22.8627","0.001","7.3486","0.0003","19.1526","0.001","90","","111.435","0.004","90","","2995.2","0.3","155","2","155","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 N2 O2 -","- C18 H19 N2 O2 -","- C144 H152 N16 O16 -","8","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Polymorphic Crystals Formed by an Achiral Diol under Ambient Conditions","Crystal Growth & Design","2012","12","11","5746","","10.1021/cg301259f","","","0.71073","MoKα","","0.0706","0.0683","","","0.1441","0.1451","","","","","","1.254","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507034","19.7275","0.0018","7.6198","0.0005","9.977","0.0009","90","","90","","90","","1499.7","0.2","160","2","160","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Polymorphic Crystals Formed by an Achiral Diol under Ambient Conditions","Crystal Growth & Design","2012","12","11","5746","","10.1021/cg301259f","","","0.71073","MoKα","","0.0567","0.0393","","","0.0796","0.0873","","","","","","1.013","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507035","19.0145","0.0009","9.8544","0.0004","10.6615","0.0004","90","","98.419","0.002","90","","1976.19","0.14","155","2","155","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Polymorphic Crystals Formed by an Achiral Diol under Ambient Conditions","Crystal Growth & Design","2012","12","11","5746","","10.1021/cg301259f","","","0.71073","MoKα","","0.0723","0.054","","","0.1334","0.1485","","","","","","1.044","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507036","12.5839","0.0006","6.0146","0.0003","21.2073","0.0011","90","","101.632","0.002","90","","1572.15","0.14","155","2","155","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","","Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger","Polymorphic Crystals Formed by an Achiral Diol under Ambient Conditions","Crystal Growth & Design","2012","12","11","5746","","10.1021/cg301259f","","","0.71073","MoKα","","0.0408","0.0362","","","0.0939","0.0985","","","","","","1.02","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507037","9.2192","0.0011","11.1014","0.001","11.684","0.0014","90","","110.795","0.014","90","","1117.9","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","pyridinium 2,5-dihydroxybenzoate","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0783","0.0424","","","0.1171","0.126","","","","","","0.925","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507038","7.4525","0.0009","44.783","0.004","8.0945","0.0012","90","","113.673","0.016","90","","2474.2","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C104 H104 N8 O32 -","8","2","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1549","0.0688","","","0.1259","0.1414","","","","","","0.891","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507039","7.1776","0.0005","12.0045","0.0008","14.1926","0.0007","90","","90","","90","","1222.88","0.13","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0476","0.0353","","","0.0823","0.0851","","","","","","0.928","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507040","7.0778","0.0004","7.3457","0.0005","11.6711","0.0007","88.147","0.005","79.634","0.006","81.894","0.005","590.91","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0599","0.0434","","","0.1252","0.1313","","","","","","0.951","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507041","7.4156","0.0004","24.0546","0.0008","8.2024","0.0004","90","","114.389","0.006","90","","1332.57","0.12","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,5-dimethylpyridinium 2,5-dihydroxybenzoate","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0642","0.0417","","","0.1146","0.1198","","","","","","1.018","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507042","9.0799","0.0007","13.7595","0.0012","11.664","0.003","90","","93.131","0.012","90","","1455.1","0.4","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4,6-trimethylpyridinium 2,5-dihydroxybenzoate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0515","0.0357","","","0.0823","0.0859","","","","","","0.901","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507043","11.4053","0.0005","12.3693","0.0007","16.2184","0.0007","90","","90","","90","","2288.02","0.19","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-aminopyridinium 2,5-dihydroxybenzoate","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C96 H96 N16 O32 -","8","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0524","0.0358","","","0.0969","0.1005","","","","","","1.02","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507044","9.5162","0.0012","23.3861","0.0017","23.3861","0.0017","90","","90","","90","","5204.5","0.8","295","2","295","2","","","","","","","","4","P b n a","-P 2ac 2b","60","","2-amino-3-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C208 H224 N32 O64 -","16","2","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1881","0.0471","","","0.111","0.1342","","","","","","0.68","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507045","8.6496","0.0012","11.5341","0.0016","12.5001","0.0019","90","","103.52","0.014","90","","1212.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-3-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0597","0.0345","","","0.0805","0.0845","","","","","","0.871","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507046","13.2565","0.0012","13.6709","0.001","13.9601","0.0017","90","","98.954","0.01","90","","2499.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-3-nitropyridinium 2,5-dihydroxybenzoate","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C96 H88 N24 O48 -","8","2","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1707","0.1456","","","0.4202","0.4273","","","","","","1.108","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507047","10.264","0.0008","11.5584","0.0005","11.5783","0.0007","87.209","0.004","74.251","0.006","80.264","0.005","1302.99","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-amino-3-nitropyridinium 2,5-dihydroxybenzoate hemihydrate","","- C12 H12 N3 O6.5 -","- C12 H12 N3 O6.5 -","- C48 H48 N12 O26 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0649","0.041","","","0.1292","0.1324","","","","","","1.21","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507048","18.901","0.003","12.9967","0.0019","4.9373","0.0006","90","","90","","90","","1212.9","0.3","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-amino-3-hydroxypyridinium 2,5-dihydroxybenzoate","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0993","0.0502","","","0.0983","0.1071","","","","","","0.813","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507049","7.5956","0.0005","11.3274","0.0007","14.5541","0.001","90","","96.94","0.007","90","","1243.04","0.14","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-nitro-2-pyridone - 2,5-dihydroxybenzoic acid","","- C12 H10 N2 O7 -","- C12 H10 N2 O7 -","- C48 H40 N8 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1006","0.0508","","","0.1311","0.1445","","","","","","0.91","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507050","7.6544","0.0005","7.1686","0.0006","20.4981","0.0016","90","","95.404","0.007","90","","1119.76","0.15","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxypyridinium 2,5-dihydroxybenzoate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C48 H44 N4 O20 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1053","0.0769","","","0.2316","0.2394","","","","","","1.113","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507051","12.082","0.002","7.7361","0.0012","13.992","0.002","90","","112.97","0.02","90","","1204.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","nicotinic acid - 2,5-dihydroxybenzoic acid","","- C13 H11 N O6 -","- C13 H11 N O6 -","- C52 H44 N4 O24 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1324","0.1091","","","0.3352","0.3447","","","","","","1.342","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507052","7.0712","0.0007","12.6897","0.0011","14.1999","0.0009","90","","90","","90","","1274.18","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","nicotinamide - 2,5-dihydroxybenzoic acid","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C52 H48 N8 O20 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0441","0.0317","","","0.0702","0.0725","","","","","","0.885","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507053","36.985","0.014","26.256","0.004","5.1348","0.001","90","","90","","90","","4986","2","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","picolinic acid - 2,5-hihydroxybenzoic acid","","- C13 H11 N O6.09 -","- C13 H11 N O6.09 -","- C208 H176 N16 O97.44 -","16","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0472","0.0302","","","0.0615","0.0642","","","","","","0.88","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507054","6.779","0.002","10.991","0.003","14.254","0.004","96.17","0.03","97.75","0.04","95.4","0.03","1039.9","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","methyl nicotinate - 2,5-dihydroxybenzoic acid (2:1)","","- C21 H20 N2 O8 -","- C21 H20 N2 O8 -","- C42 H40 N4 O16 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.2499","0.1246","","","0.3073","0.3452","","","","","","0.823","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507055","7.0664","0.0017","8.934","0.002","11.824","0.003","100.568","0.018","100.956","0.019","109.97","0.02","663.4","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-carboxymethylpyridinium 2,5-dihydroxybenzoate","","- C14 H13 N O6 -","- C14 H13 N O6 -","- C28 H26 N2 O12 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1107","0.0808","","","0.2274","0.2378","","","","","","0.997","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507056","10.5188","0.0013","3.7983","0.0005","25.777","0.003","90","","90.536","0.009","90","","1029.8","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridinium 2,5-dihydroxybenzoate","","- C24 H20 N2 O8 -","- C24 H20 N2 O8 -","- C48 H40 N4 O16 -","2","0.5","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.1013","0.0524","","","0.1471","0.1701","","","","","","0.909","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507057","7.3554","0.0004","9.4165","0.0004","15.6213","0.0007","77.634","0.003","87.415","0.005","86.325","0.004","1054.14","0.09","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","4-(pyrid-4-ly)-pyridinium 2,5-dihydroxybenzoate - dihydroxybenzoic acid","","- C24 H20 N2 O8 -","- C24 H20 N2 O8 -","- C48 H40 N4 O16 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0623","0.0404","","","0.1102","0.1155","","","","","","0.949","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507058","12.126","0.004","12.2129","0.0012","12.3844","0.001","90","","101.733","0.014","90","","1795.7","0.6","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-cyanopyridine - - 2,5-dihydroxybenzoic acid (2:1)","","- C19 H14 N4 O4 -","- C19 H14 N4 O4 -","- C76 H56 N16 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0712","0.0343","","","0.0909","0.0963","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507059","17.1906","0.0013","11.4994","0.0009","24.854","0.0019","90","","91.555","0.001","90","","4911.4","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-Chloroform1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C54 H52 Cl6 O4 -","- C54 H52 Cl6 O4 -","- C216 H208 Cl24 O16 -","4","1","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.0717","0.0581","","","0.1383","0.1464","","","","","","1.023","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507060","20.1999","0.0013","21.9548","0.0013","22.6618","0.0013","90","","107.967","0.002","90","","9560.1","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-Chloroform2","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C107 H103 Cl9 O8 -","- C107 H103 Cl9 O8 -","- C428 H412 Cl36 O32 -","4","0.5","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.0912","0.0584","","","0.1331","0.1488","","","","","","1.013","","","","has coordinates,has disorder","179606","2020-10-21","18:00:00",""
"4507061","12.793","0.002","16.993","0.003","11.506","0.002","90","","97.648","0.003","90","","2479.1","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-cyclohexenone1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C64 H66 O6 -","- C64 H66 O6 -","- C128 H132 O12 -","2","0.5","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.1211","0.0918","","","0.2449","0.2714","","","","","","1.061","","","","has coordinates,has disorder","179606","2020-10-21","18:00:00",""
"4507062","11.858","0.002","16.972","0.003","19.789","0.003","95.462","0.004","103.095","0.003","110.062","0.003","3578","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-Cyclododecene1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C82 H105 O4 -","- C82 H105 O4 -","- C164 H210 O8 -","2","1","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.2744","0.0882","","","0.1078","0.1352","","","","","","1.04","","","","has coordinates,has disorder","179606","2020-10-21","18:00:00",""
"4507063","6.801","0.003","12.486","0.006","14.756","0.007","104.804","0.009","93.331","0.009","97.28","0.009","1196.3","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-dicyclopentadiene1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C62 H62 O4 -","- C62 H62 O4 -","- C62 H62 O4 -","1","0.5","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.0808","0.059","","","0.143","0.1584","","","","","","1.049","","","","has coordinates,has disorder","179606","2020-10-21","18:00:00",""
"4507064","40.57","0.006","15.752","0.002","13.5431","0.0017","90","","97.797","0.005","90","","8575","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-nitrobenzene1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C110 H105 N O10 -","- C110 H105 N O10 -","- C440 H420 N4 O40 -","4","0.5","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.1367","0.0681","","","0.1369","0.1586","","","","","","1.05","","","","has coordinates,has disorder","179606","2020-10-21","18:00:00",""
"4507065","14.787","0.003","15.341","0.003","22.729","0.005","90","","90","","90","","5156","1.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene-Toluene1","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C66 H66 O4 -","- C66 H66 O4 -","- C264 H264 O16 -","4","1","","Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Pseudopolymorphism of a Highly Adaptable Tetraarylpyrene Host that Exhibits Abundant Solid-State Guest Inclusion","Crystal Growth & Design","2012","12","12","6134","","10.1021/cg3012684","","","0.71073","MoKα","","0.1138","0.0646","","","0.1265","0.144","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507066","11.684","0.002","13.506","0.003","14.584","0.003","77.331","0.003","89.819","0.003","73.113","0.003","2144","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H61 N8 O28 S4 Zn4 -","- C92 H61 N8 O28 S4 Zn4 -","- C92 H61 N8 O28 S4 Zn4 -","1","0.5","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0464","0.0369","","","0.1146","0.1355","","","","","","1.078","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507067","10.3359","0.0009","10.9742","0.001","13.6908","0.0012","91.612","0.001","111.91","0.001","107.339","0.001","1358.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H31 Cd2 N4 O16 S2 -","- C46 H31 Cd2 N4 O16 S2 -","- C46 H31 Cd2 N4 O16 S2 -","1","0.5","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0544","0.0514","","","0.1246","0.1287","","","","","","1.092","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507068","10.1147","0.0011","10.4886","0.0012","14.2851","0.0016","106.485","0.001","101.608","0.002","102.81","0.002","1359.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Co N2 O6 S -","- C23 H14 Co N2 O6 S -","- C46 H28 Co2 N4 O12 S2 -","2","1","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0848","0.078","","","0.2274","0.2375","","","","","","1.058","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507069","20.682","0.003","19.366","0.003","20.733","0.003","90","","114.878","0.002","90","","7533.6","1.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 N2 O5 S Zn -","- C28 H18 N2 O5 S Zn -","- C224 H144 N16 O40 S8 Zn8 -","8","1","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0806","0.0574","","","0.1455","0.1512","","","","","","1.045","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507070","19.796","0.003","22.262","0.003","13.044","0.002","90","","99.852","0.002","90","","5663.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H36 Co2 N4 O10 S2 -","- C56 H36 Co2 N4 O10 S2 -","- C224 H144 Co8 N16 O40 S8 -","4","1","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0535","0.0434","","","0.1212","0.1259","","","","","","1.114","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507071","10.1761","0.0005","14.5967","0.0007","22.8332","0.0012","72.626","0.001","82.585","0.001","80.492","0.001","3180.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H44 N4 O20 S2 Zn4 -","- C60 H44 N4 O20 S2 Zn4 -","- C120 H88 N8 O40 S4 Zn8 -","2","1","","Qin, Ling; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Structural Diversity and Properties of Six 2D or 3D Metal‒Organic Frameworks Based on Thiophene-Containing Ligand","Crystal Growth & Design","2012","12","11","5783","","10.1021/cg3013014","","","0.71073","MoKα","","0.0617","0.0437","","","0.1102","0.1201","","","","","","1.016","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507072","17.492","0.009","17.492","0.009","9.105","0.009","90","","90","","90","","2786","3","296","2","296","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C32 H28 Cu4 O24 Si -","- C32 H12 Cu4 O24 Si -","- C64 H24 Cu8 O48 Si2 -","2","0.125","","Xue, Yun-Shan; Jin, Feng-Yan; Zhou, Lian; Liu, Mei-Pin; Xu, Yan; Du, Hong-Bin; Fang, Min; You, Xiao-Zeng","Structural Diversity and Properties of Coordination Polymers Built from a Rigid Octadentenate Carboxylic Acid","Crystal Growth & Design","2012","12","12","6158","","10.1021/cg301319u","","","0.71073","MoKα","","0.0589","0.0568","","","0.1818","0.1834","","","","","","1.128","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507073","23.168","0.008","18.615","0.006","25.483","0.008","90","","101.768","0.004","90","","10759","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H94 N8 O38 Si2 Zn5 -","- C82 H90 N8 O38 Si2 Zn5 -","- C328 H360 N32 O152 Si8 Zn20 -","4","0.5","","Xue, Yun-Shan; Jin, Feng-Yan; Zhou, Lian; Liu, Mei-Pin; Xu, Yan; Du, Hong-Bin; Fang, Min; You, Xiao-Zeng","Structural Diversity and Properties of Coordination Polymers Built from a Rigid Octadentenate Carboxylic Acid","Crystal Growth & Design","2012","12","12","6158","","10.1021/cg301319u","","","0.71073","MoKα","","0.1024","0.064","","","0.1655","0.1761","","","","","","0.941","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507074","23.179","0.002","19.0074","0.0019","26.112","0.003","90","","99.417","0.002","90","","11349","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H84 Cd3 N6 O32 Si2 -","- C76 H70 Cd3 N6 O32 Si2 -","- C304 H280 Cd12 N24 O128 Si8 -","4","0.5","","Xue, Yun-Shan; Jin, Feng-Yan; Zhou, Lian; Liu, Mei-Pin; Xu, Yan; Du, Hong-Bin; Fang, Min; You, Xiao-Zeng","Structural Diversity and Properties of Coordination Polymers Built from a Rigid Octadentenate Carboxylic Acid","Crystal Growth & Design","2012","12","12","6158","","10.1021/cg301319u","","","0.71073","MoKα","","0.0781","0.0587","","","0.1634","0.1701","","","","","","1.119","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507075","14.66805","0.00034","5.91244","0.00011","14.22565","0.0003","90","","112.881","0.0013","90","","1136.63","0.04","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N3 O5 -","- C21 H33 N3 O6 -","- C42 H66 N6 O12 -","2","1","","Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Yonemochi, Etsuo; Terada, Katsuhide","Mechanism of Dehydration‒Hydration Processes of Lisinopril Dihydrate Investigated by ab Initio Powder X-ray Diffraction Analysis","Crystal Growth & Design","2012","12","12","6165","","10.1021/cg3013377","powder diffraction","x-ray","1.20025","","","","","","","","","0.10815","","2.27","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507076","15.17734","0.00029","5.94528","0.00008","14.22942","0.00026","90","","120.622","0.0009","90","","1104.92","0.03","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N3 O5 -","- C21 H31 N3 O5 -","- C42 H62 N6 O10 -","2","1","","Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Yonemochi, Etsuo; Terada, Katsuhide","Mechanism of Dehydration‒Hydration Processes of Lisinopril Dihydrate Investigated by ab Initio Powder X-ray Diffraction Analysis","Crystal Growth & Design","2012","12","12","6165","","10.1021/cg3013377","powder diffraction","x-ray","1.1977","","","","","","","","","0.04546","","6.22","","","","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507077","12.154","0.0007","11.8231","0.0008","17.9886","0.0012","90","","101.881","0.003","90","","2529.5","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 N O3 -","- C28 H35 N O3 -","- C112 H140 N4 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.101","0.0658","","","0.1865","0.2055","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507078","12.3499","0.0011","12.7854","0.0012","17.0726","0.0015","90","","101.913","0.005","90","","2637.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 O3 -","- C29 H38 N2 O3 -","- C116 H152 N8 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.0859","0.0558","","","0.1667","0.1845","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507079","12.4222","0.0008","12.7119","0.0008","17.3961","0.0012","90","","102.16","0.004","90","","2685.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.1121","0.0555","","","0.1415","0.1634","","","","","","0.906","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507080","9.8237","0.0011","11.8361","0.0013","13.2385","0.0014","68.077","0.004","88.819","0.004","68.848","0.004","1320.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H37 N O5 -","- C29 H37 N O5 -","- C58 H74 N2 O10 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.1827","0.0757","","","0.1386","0.1798","","","","","","1.04","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507081","8.6308","0.0009","11.699","0.0012","15.9227","0.0017","107.295","0.006","105.133","0.006","92.092","0.006","1470.4","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H45 N3 O2 -","- C34 H45 N3 O2 -","- C68 H90 N6 O4 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.137","0.0613","","","0.1677","0.1996","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507082","12.3211","0.0008","11.3408","0.0007","18.5015","0.0012","90","","98.554","0.004","90","","2556.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 N O3 S -","- C27 H35 N O3 S -","- C108 H140 N4 O12 S4 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.2186","0.1104","","","0.2039","0.2361","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507083","12.606","0.01","11.689","0.011","18.529","0.016","90","","105.15","0.03","90","","2635","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 O3 -","- C29 H38 N2 O3 -","- C116 H152 N8 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.2238","0.0568","","","0.0941","0.1163","","","","","","0.853","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507084","12.988","0.002","14.491","0.002","15.156","0.003","88.529","0.014","70.482","0.011","88.285","0.011","2687","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H70 N4 O7 -","- C56 H70 N4 O7 -","- C112 H140 N8 O14 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Quasi-Isostructural Solvates of Bis(4-hydroxy-3,5-dimethylphenyl)(4-N,N-dimethylaminophenyl)methane","Crystal Growth & Design","2012","12","12","6173","","10.1021/cg3013427","","","0.71073","MoKα","","0.1958","0.0651","","","0.1463","0.1608","","","","","","1.144","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507085","7.2651","0.0006","8.983","0.002","10.109","0.0015","97.82","0.08","110.42","0.05","112.3","0.06","543.9","0.5","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H27 N3 O3 S -","- C23 H27 N3 O3 S -","- C23 H27 N3 O3 S -","1","1","","Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun","Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability","Crystal Growth & Design","2012","12","12","6181","","10.1021/cg301359n","","","0.71073","MoKα","","0.0719","0.0613","","","0.174","0.1914","","","","","","1.11","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507086","10.363","0.005","11.163","0.005","17.892","0.006","90","","92.15","0.03","90","","2068.3","1.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H23 Cl N2 O3 S -","- C22 H23 Cl N2 O3 S -","- C88 H92 Cl4 N8 O12 S4 -","4","1","","Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun","Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability","Crystal Growth & Design","2012","12","12","6181","","10.1021/cg301359n","","","0.71073","MoKα","","0.1884","0.1588","","","0.3871","0.398","","","","","","1.777","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507087","14.208","0.006","10.027","0.004","16.146","0.007","90","","113.042","0.006","90","","2116.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O5 S -","- C22 H26 N2 O5 S -","- C88 H104 N8 O20 S4 -","4","1","","Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun","Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability","Crystal Growth & Design","2012","12","12","6181","","10.1021/cg301359n","","","0.71073","MoKα","","0.0848","0.068","","","0.204","0.2228","","","","","","1.038","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507088","17.5","0.012","7.605","0.005","13.547","0.009","90","","93.708","0.013","90","","1799","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 F3 N2 O3 S -","- C17 H19 F3 N2 O3 S -","- C68 H76 F12 N8 O12 S4 -","4","1","","Sun, Zhihua; Liu, Xitao; Wang, Xinqiang; Li, Lina; Shi, Xiaojun; Li, Shigeng; Ji, Chengmin; Luo, Junhua; Hong, Maochun","Engineering of Acentric Stilbazolium Salts with Large Second-Order Optical Nonlinearity and Enhanced Environmental Stability","Crystal Growth & Design","2012","12","12","6181","","10.1021/cg301359n","","","0.71073","MoKα","","0.0728","0.0578","","","0.123","0.1321","","","","","","1.145","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507089","6.697","0.009","5.12","0.007","23.07","0.03","90","","98.82","0.04","90","","781.7","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Hydroxybenzamide : oxalic acid (2:1)","","","- C8 H8 N O4 -","- C8 H8 N O4 -","- C32 H32 N4 O16 -","4","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.064","0.0513","","","0.155","0.1865","","","","","","1.153","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507090","8.886","0.005","5.118","0.003","21.046","0.01","90","","113.321","0.018","90","","878.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N O4 -","- C9 H10 N O4 -","- C36 H40 N4 O16 -","4","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0452","0.042","","","0.1114","0.1282","","","","","","1.1","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507091","8.7771","0.0014","5.2395","0.0009","20.63","0.003","90","","114.787","0.008","90","","861.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Hydroxybenzamide : fumaric acid (2:1)","","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.042","0.0389","","","0.1079","0.1228","","","","","","1.133","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507092","17.067","0.012","5.077","0.002","25.609","0.012","90","","121.71","0.03","90","","1887.7","1.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Hydroxybenzamide : glutaricacid form I (2:1)","","","- C9.5 H11 N O4 -","- C9.5 H11 N O4 -","- C76 H88 N8 O32 -","8","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0974","0.0656","","","0.1811","0.2231","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507093","22.27","0.005","5.17","0.001","33.69","0.007","90","","92.33","0.03","90","","3875.7","1.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Hydroxybenzamide : glutaric acid form II (2:1)","","","- C19 H22 N2 O8 -","- C19 H22 N2 O8 -","- C152 H176 N16 O64 -","8","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.1313","0.0849","","","0.1907","0.2287","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507094","5.169","0.007","10.102","0.016","11.747","0.018","115.05","0.02","90.332","0.013","100.638","0.008","543.7","1.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4-Hydroxybenzamide : adipic acid : H2O","","","- C10 H14 N O5 -","- C10 H14 N O5 -","- C20 H28 N2 O10 -","2","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0565","0.0481","","","0.1315","0.1531","","","","","","1.088","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507095","17.535","0.003","5.0774","0.0006","24.296","0.003","90","","102.752","0.017","90","","2109.8","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H13 N O4 -","- C10.5 H13 N O4 -","- C84 H104 N8 O32 -","8","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.16","0.071","","","0.1886","0.2505","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507096","12.049","0.003","5.0649","0.001","23.609","0.005","90","","115.675","0.013","90","","1298.5","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Hydroxybenzamide : sebacic acid : H2O (2:1:2)","","","- C12 H18 N O5 -","- C12 H18 N O5 -","- C48 H72 N4 O20 -","4","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0922","0.0627","","","0.1528","0.1945","","","","","","1.137","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507097","7.038","0.008","7.257","0.008","10.452","0.01","97.4","0.04","108.96","0.02","97.8","0.04","491.6","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4-Hydroxybenzamide : fumaric acid : H2O (2:1:2)","","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C18 H22 N2 O10 -","2","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.06","0.045","","","0.1087","0.1177","","","","","","0.966","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507098","16.685","0.004","9.355","0.002","9.079","0.003","90","","100.796","0.009","90","","1392","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-hydroxybenzamide-hemihydrate","","","- C7 H8 N O2.5 -","- C7 H8 N O2.5 -","- C56 H64 N8 O20 -","8","2","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0884","0.0655","","","0.1557","0.174","","","","","","1.251","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507099","8.17","0.007","12.268","0.009","11.354","0.009","90","","91.004","0.007","90","","1137.8","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-hydroxybenzamide:maleic acid","","","- C11 H11 N O6 -","- C11 H11 N O6 -","- C44 H44 N4 O24 -","4","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0439","0.0392","","","0.1095","0.1285","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507100","7.91","0.0016","5.274","0.0011","8.451","0.0017","90","","108.78","0.03","90","","333.78","0.13","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-hydroxybenzamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C14 H14 N2 O4 -","2","1","","Tothadi, Srinu; Desiraju, Gautam R.","Synthon Modularity in 4-Hydroxybenzamide‒Dicarboxylic Acid Cocrystals","Crystal Growth & Design","2012","12","12","6188","","10.1021/cg3013766","","","0.71073","MoKα","","0.0696","0.068","","","0.193","0.1956","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507101","6.3558","0.0012","20.655","0.004","7.8807","0.0014","90","","92.286","0.002","90","","1033.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 Ag2 O14 P4 U -","- C12 H12 Ag2 O14 P4 U -","- C24 H24 Ag4 O28 P8 U2 -","2","0.5","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates","Crystal Growth & Design","2012","12","11","5800","","10.1021/cg301387p","","","0.71073","MoKα","","0.0235","0.0204","","","0.0413","0.0426","","","","","","1.053","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507102","5.5196","0.0007","15.681","0.002","14.5816","0.0019","90","","99.321","0.002","90","","1245.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cs O8 P2 U -","- C6 H5 Cs O8 P2 U -","- C24 H20 Cs4 O32 P8 U4 -","4","1","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates","Crystal Growth & Design","2012","12","11","5800","","10.1021/cg301387p","","","0.71073","MoKα","","0.0297","0.0218","","","0.0445","0.0468","","","","","","1.033","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507103","9.5213","0.0009","10.5817","0.001","18.3319","0.0018","95.927","0.001","99.681","0.001","114.194","0.001","1630","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Ba O27 P4 U3 -","- C12 H8 Ba O27 P4 U3 -","- C24 H16 Ba2 O54 P8 U6 -","2","1","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates","Crystal Growth & Design","2012","12","11","5800","","10.1021/cg301387p","","","0.71073","MoKα","","0.029","0.0249","","","0.06","0.0626","","","","","","1.026","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507104","7.119","0.0008","14.1051","0.0016","17.698","0.002","90","","90","","90","","1777.1","0.3","100","2","100","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H4 O15 P2 Sr U2 -","- C6 H4 O15 P2 Sr U2 -","- C24 H16 O60 P8 Sr4 U8 -","4","0.25","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Layered Uranyl Coordination Polymers Rigidly Pillared by Diphosphonates","Crystal Growth & Design","2012","12","11","5800","","10.1021/cg301387p","","","0.71073","MoKα","","0.0404","0.0335","","","0.0899","0.0926","","","","","","1.121","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507105","7.6597","0.0009","13.4779","0.0016","13.7575","0.0016","117.048","0.004","90.413","0.005","90.972","0.004","1264.6","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-4-97-4 4-Br-pyrazole, 3,5-(NO2)2-PhCOOH","","- C10 H7 Br N4 O6 -","- C10 H7 Br N4 O6 -","- C40 H28 Br4 N16 O24 -","4","2","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0729","0.054","","","0.1471","0.1677","","","","","","1.068","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507106","6.7767","0.0005","8.0047","0.0006","11.1806","0.001","83.315","0.004","77.745","0.004","85.862","0.004","587.94","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-1-25-05 4-CN-PhCOOH, 4-I-pyrazole","","- C11 H8 I N3 O2 -","- C11 H8 I N3 O2 -","- C22 H16 I2 N6 O4 -","2","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0306","0.0255","","","0.0631","0.0662","","","","","","1.028","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507107","10.1937","0.0006","11.2088","0.0006","13.1357","0.0007","111.112","0.002","108.116","0.002","92.381","0.002","1310.62","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-01-25-06 3,5-(NO2)2-PhCOOH, 4-I-pyrazole","","- C10 H7 I N4 O6 -","- C10 H7 I N4 O6 -","- C40 H28 I4 N16 O24 -","4","2","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0257","0.0212","","","0.0515","0.0536","","","","","","1.049","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507108","12.8138","0.0007","7.2047","0.0004","15.2522","0.0009","90","","90","","90","","1408.08","0.14","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","EH-6-65-12 3,5-Me2-4-Cl-pyrazole, 3-MeO-4-HO-PhCOOH","","- C13 H15 Cl N2 O4 -","- C13 H15 Cl N2 O4 -","- C52 H60 Cl4 N8 O16 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0456","0.0389","","","0.0975","0.103","","","","","","1.046","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507109","6.4021","0.0004","7.8731","0.0005","28.0067","0.0019","90","","90.195","0.003","90","","1411.65","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","EH-6-65-11 3,5-Me2-4-Cl-pyrazole, 3,5-(NO2)2-PhCOOH","","- C12 H11 Cl N4 O6 -","- C12 H11 Cl N4 O6 -","- C48 H44 Cl4 N16 O24 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0536","0.0447","","","0.1549","0.163","","","","","","1.223","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507110","6.4192","0.0007","8.0239","0.0008","28.206","0.003","90","","90","","90","","1452.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","EH-4-45-3 3,5-Me2-4-Br-pyrazole, 3,5-(NO2)2-PhCOOH","","- C12 H11 Br N4 O6 -","- C12 H11 Br N4 O6 -","- C48 H44 Br4 N16 O24 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0835","0.0484","","","0.096","0.1088","","","","","","1.08","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507111","9.3369","0.0018","10.489","0.002","11.923","0.002","77.852","0.012","75.218","0.011","68.606","0.012","1042.3","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-6-65-6 (3,5-Me2-4-Cl-pyrazole)2, 2,4-(NO2)2-PhCOOH","","- C17 H18 Cl2 N6 O6 -","- C17 H18 Cl2 N6 O6 -","- C34 H36 Cl4 N12 O12 -","2","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0918","0.0575","","","0.1484","0.1655","","","","","","1.109","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507112","7.1993","0.0005","7.8251","0.0006","13.4055","0.001","93.999","0.003","90.564","0.003","96.99","0.003","747.64","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-6-65-23 3,5-Me2-4-I-pyrazole, 3,5-(NO2)2-PhCOOH","","- C12 H11 I N4 O6 -","- C12 H11 I N4 O6 -","- C24 H22 I2 N8 O12 -","2","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0507","0.0432","","","0.0938","0.0963","","","","","","1.225","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507113","7.7111","0.0012","9.6247","0.0014","14.275","0.002","73.355","0.008","89.353","0.009","68.778","0.007","941.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","EH-4-90-1 pyrazole, 3,5-Cl2-PhCOOH","","- C17 H12 Cl4 N2 O4 -","- C17 H12 Cl4 N2 O4 -","- C34 H24 Cl8 N4 O8 -","2","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.1192","0.0861","","","0.2058","0.2302","","","","","","1.374","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507114","7.1717","0.0006","13.2773","0.0012","20.7542","0.0016","90","","92.463","0.004","90","","1974.4","0.3","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","","EH-3-93-7 pyrazole, [(NO2)2-PhCOOH]2","","- C17 H12 N6 O12 -","- C17 H12 N6 O12 -","- C68 H48 N24 O48 -","4","2","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0725","0.0529","","","0.1044","0.1118","","","","","","1.059","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507115","8.6114","0.0004","6.2504","0.0003","27.4741","0.0013","90","","94.822","0.003","90","","1473.55","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EH-3-94-1 3,5-Me2-pyrazole, 3,5-dinitrobenzoic acid hydrate","","- C12 H14 N4 O7 -","- C12 H14 N4 O7 -","- C48 H56 N16 O28 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0813","0.0516","","","0.1424","0.1609","","","","","","1.079","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507116","4.6472","0.0014","11.672","0.003","13.456","0.004","90.036","0.004","97.87","0.005","97.971","0.004","715.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 Mn O10 -","- C32 H28 Mn O10 -","- C32 H28 Mn O10 -","1","0.5","","Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng","Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework","Crystal Growth & Design","2012","12","12","6215","","10.1021/cg301403w","","","0.71073","MoKα","","0.0379","0.0341","","","0.0983","0.1022","","","","","","1.032","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507117","15.489","0.002","16.205","0.002","16.439","0.002","72.801","0.002","70.522","0.002","68.048","0.002","3538.3","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H80 Cd1.5 N4 O16 -","- C68 H80 Cd1.5 N4 O16 -","- C136 H160 Cd3 N8 O32 -","2","1","","Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng","Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework","Crystal Growth & Design","2012","12","12","6215","","10.1021/cg301403w","","","0.71073","MoKα","","0.0682","0.0543","","","0.161","0.177","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507118","18.1473","0.001","18.1473","0.001","36.182","0.004","90","","90","","120","","10319.2","1.4","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H25.32 Co O8.67 -","- C32 H25.32 Co O8.66667 -","- C288 H227.88 Co9 O78 -","9","0.5","","Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng","Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework","Crystal Growth & Design","2012","12","12","6215","","10.1021/cg301403w","","","0.71073","MoKα","","0.0488","0.0401","","","0.1183","0.1223","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507119","36.419","0.007","13.1869","0.0019","8.1455","0.0019","90","","100.045","0.004","90","","3851.9","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Co O13 -","- C32 H28 Co O13 -","- C128 H112 Co4 O52 -","4","0.5","","Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng","Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework","Crystal Growth & Design","2012","12","12","6215","","10.1021/cg301403w","","","0.71073","MoKα","","0.059","0.0494","","","0.1466","0.1557","","","","","","1.08","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507120","36.622","0.01","13.41","0.004","7.948","0.002","90","","99.958","0.005","90","","3844.5","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Ni O11 -","- C32 H28 Ni O11 -","- C128 H112 Ni4 O44 -","4","0.5","","Zhang, Liangliang; Liu, Fuling; Guo, Yu; Wang, Xingpo; Guo, Jie; Wei, Yanhui; Chen, Zhen; Sun, Daofeng","Crystal Structure Diversities Based on 4,4′-(2,3,6,7-Tetramethoxyanthracene-9,10-diyl)dibenzoic Acid: From 2D Layer to 3D Net Framework","Crystal Growth & Design","2012","12","12","6215","","10.1021/cg301403w","","","0.71073","MoKα","","0.0589","0.043","","","0.1178","0.1254","","","","","","0.99","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507121","12.2288","0.0002","12.4347","0.0003","13.5116","0.001","92.751","0.006","109.419","0.008","106.704","0.007","1832.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","DTPY-buU","","","- C22 H18 N2 O2 S2 -","- C22 H13.5 N2 O2 S2 -","- C88 H54 N8 O8 S8 -","4","2","","Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks","Crystal Growth & Design","2012","12","11","5815","","10.1021/cg301414s","","","1.54187","CuKα","","0.2838","0.0818","","","0.2358","0.2648","","","","","","0.983","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507122","11.105","0.016","8.731","0.007","23.51","0.02","90","","98.59","0.05","90","","2254","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DTPY-buU_CH2Cl2","","","- C23 H20 Cl2 N2 O2 S2 -","- C23 H20 Cl2 N2 O2 S2 -","- C92 H80 Cl8 N8 O8 S8 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks","Crystal Growth & Design","2012","12","11","5815","","10.1021/cg301414s","","","0.71075","MoKα","","0.2333","0.1262","","","0.3219","0.3777","","","","","","0.985","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507123","12.5214","0.0009","9.925","0.0003","16.9895","0.0012","90","","111.766","0.008","90","","1960.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DTPY-C","","","- C22 H19 N3 O S2 -","- C22.66 H19.66 N3 O S1.76 -","- C90.64 H78.64 N12 O4 S7.04 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks","Crystal Growth & Design","2012","12","11","5815","","10.1021/cg301414s","","","1.54187","CuKα","","0.0783","0.0634","","","0.1768","0.1875","","","","","","1.054","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507124","20.0919","0.0007","4.82854","0.00014","22.4026","0.0016","90","","101.226","0.007","90","","2131.79","0.19","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DTPY-A","","","- C23 H23 N5 O2 S2 -","- C23 H23 N5 O2 S2 -","- C92 H92 N20 O8 S8 -","4","1","","Murata, Tsuyoshi; Miyazaki, Eigo; Nakasuji, Kazuhiro; Morita, Yasushi","Nucleobase-Functionalized 1,6-Dithiapyrene-Type Electron-Donors: Supramolecular Assemblies by Complementary Hydrogen-Bonds and π-Stacks","Crystal Growth & Design","2012","12","11","5815","","10.1021/cg301414s","","","1.54187","CuKα","","0.1275","0.0592","","","0.1134","0.1251","","","","","","0.92","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507125","10.0842","0.0013","12.0695","0.0016","12.6613","0.0016","75.278","0.002","66.588","0.002","69.051","0.002","1309.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Cl2 N4 O -","- C30 H28 Cl2 N4 O -","- C60 H56 Cl4 N8 O2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.057","0.0486","","","0.1243","0.1293","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507126","9.8153","0.0009","12.1738","0.001","15.2122","0.001","72.455","0.007","77.844","0.007","66.479","0.008","1580.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Cl2 N5 O2 -","- C33 H27 Cl2 N5 O2 -","- C66 H54 Cl4 N10 O4 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.1344","0.057","","","0.1262","0.1502","","","","","","0.908","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507127","11.2549","0.0019","20.816","0.003","12.519","0.002","90","","103.413","0.017","90","","2853","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 Cl2 N4 O4 -","- C31 H26 Cl2 N4 O4 -","- C124 H104 Cl8 N16 O16 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.7107","MoKα","","0.2043","0.0755","","","0.1169","0.1468","","","","","","0.918","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507128","9.8401","0.0008","12.4069","0.001","13.0576","0.001","74.129","0.001","70.3","0.001","67.52","0.001","1367.5","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Cl2 N4 O4 -","- C30 H26 Cl2 N4 O4 -","- C60 H52 Cl4 N8 O8 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.0761","0.0555","","","0.1467","0.1617","","","","","","1.044","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507129","9.5945","0.0012","11.0456","0.0012","14.4628","0.0011","110.173","0.009","95.859","0.009","94.929","0.009","1419.1","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 N4 O4 S -","- C28 H28 Cl2 N4 O4 S -","- C56 H56 Cl4 N8 O8 S2 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.1063","0.0497","","","0.0936","0.1069","","","","","","0.892","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507130","11.6032","0.0013","15.361","0.002","18.733","0.003","111.337","0.014","91.28","0.011","109.295","0.011","2896.5","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 Cl2 N5 O2 -","- C33 H27 Cl2 N5 O2 -","- C132 H108 Cl8 N20 O8 -","4","2","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.115","0.0586","","","0.1149","0.143","","","","","","0.998","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507131","10.8702","0.0006","11.2066","0.0006","13.8272","0.0008","82.354","0.005","88.96","0.005","63.492","0.006","1492.31","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cl2 N4 O3 -","- C34 H28 Cl2 N4 O3 -","- C68 H56 Cl4 N8 O6 -","2","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.0716","0.0472","","","0.1209","0.1293","","","","","","1.027","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507132","10.0229","0.0018","17.772","0.003","15.592","0.003","90","","103.028","0.004","90","","2705.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl2 N4 O3 S -","- C28 H26 Cl1.956 N4 O3 S -","- C112 H104 Cl7.824 N16 O12 S4 -","4","1","","Bolla, Geetha; Nangia, Ashwini","Clofazimine Mesylate: A High Solubility Stable Salt","Crystal Growth & Design","2012","12","12","6250","","10.1021/cg301463z","","","0.71073","MoKα","","0.0986","0.0715","","","0.1278","0.1381","","","","","","1.139","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507133","20.542","0.0008","14.8692","0.0005","15.0844","0.0006","90","","90","","90","","4607.4","0.3","100","2","100","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C20 Cu F6 Hf N4 O2.5 -","- C20 Cu F6 Hf N4 O2.5 -","- C160 Cu8 F48 Hf8 N32 O20 -","8","2","","Gautier, Romain; Norquist, Alexander J.; Poeppelmeier, Kenneth R.","From Racemic Units to Polar Materials","Crystal Growth & Design","2012","12","12","6267","","10.1021/cg301539q","","x-ray","0.71073","MoKα","","0.0868","0.0518","","","0.1249","0.1399","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510842","29.022","0.0012","29.022","0.0012","5.8586","0.0012","90","","90","","120","","4273.5","0.9","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol methanol clathrate","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.1268","0.0651","","","","0.1237","","","","","","1.067","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510843","29.0335","0.0013","29.0335","0.0013","5.841","0.0002","90","","90","","120","","4264","0.3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.1562","0.0659","","","","0.1458","","","","","","1.005","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510844","29.0243","0.0019","29.0243","0.0019","5.8381","0.0019","90","","90","","120","","4259.2","1.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.136","0.0451","","","","0.1004","","","","","","0.917","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510845","28.785","0.005","28.785","0.005","5.987","0.005","90","","90","","120","","4296","4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-phenoxyphenol acetonitrile clathrate","","- C12.33 H10.5 N0.17 O2 -","- C12.3333 H10.5 N0.166667 O2 -","- C222 H189 N3 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","","neutron","","0.0874","0.0532","","","0.0925","0.0979","","","","","","1.344","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510846","29.0154","0.0018","29.0154","0.0018","5.8446","0.0018","90","","90","","120","","4261.3","1.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol methanol clathrate","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.1413","0.0727","","","","0.1534","","","","","","1.071","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510847","28.995","0.0013","28.995","0.0013","5.945","0.0003","90","","90","","120","","4328.4","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-phenoxyphenol acetone clathrate","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Thomas, Lynne H.; Cheung, Elaine; Jones, Andrew O. F.; Kallay, Andras A.; Lemée-Cailleau, Marie-Hélène; McIntyre, Garry J.; Wilson, Chick C.","4-Phenoxyphenol: A Porous Molecular Material","Crystal Growth & Design","2012","12","4","1746","","10.1021/cg200998u","","","0.71073","MoKα","","0.0634","0.0503","","","","0.1417","","","","","","1.083","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510848","16.1551","0.0005","5.5958","0.0002","8.4538","0.0002","90","","90","","90","","764.23","0.04","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C24 H28 Br4 Cl4 N4 -","4","1","","Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.","Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy","Crystal Growth & Design","2012","12","3","1641","","10.1021/cg201683p","","","0.71073","MoKα","","0.0267","0.0253","","","0.0599","0.0606","","","","","","1.017","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510849","7.6485","0.0001","6.6434","0.0001","17.5487","0.0003","90","","91.354","0.001","90","","891.44","0.02","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Cl I N O -","- C6 H9 Cl I N O -","- C24 H36 Cl4 I4 N4 O4 -","4","1","","Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.","Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy","Crystal Growth & Design","2012","12","3","1641","","10.1021/cg201683p","","","0.71073","MoKα","","0.0162","0.0153","","","0.0402","0.0407","","","","","","1.084","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510850","7.8293","0.0002","6.7808","0.0002","17.7752","0.0004","90","","92.651","0.001","90","","942.66","0.04","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 Br I N O -","- C6 H9 Br I N O -","- C24 H36 Br4 I4 N4 O4 -","4","1","","Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.","Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy","Crystal Growth & Design","2012","12","3","1641","","10.1021/cg201683p","","","0.71073","MoKα","","0.0182","0.017","","","0.041","0.0416","","","","","","1.05","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510851","15.606","0.002","5.4026","0.0007","8.7865","0.0011","90","","90","","90","","740.82","0.16","200","2","200","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H7 Br Cl N -","- C6 H7 Br Cl N -","- C24 H28 Br4 Cl4 N4 -","4","1","","Attrell, Robert J.; Widdifield, Cory M.; Korobkov, Ilia; Bryce, David L.","Weak Halogen Bonding in Solid Haloanilinium Halides Probed Directly via Chlorine-35, Bromine-81, and Iodine-127 NMR Spectroscopy","Crystal Growth & Design","2012","12","3","1641","","10.1021/cg201683p","","","0.71073","MoKα","","0.0259","0.0239","","","0.0614","0.0623","","","","","","1.084","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510853","9.2626","0.0001","9.797","0.0002","13.9686","0.0002","88.588","0.001","73.393","0.001","68.374","0.001","1124.57","0.03","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C53 H72 O4 -","- C53 H72 O4 -","- C53 H72 O4 -","1","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0703","0.0447","","","0.1159","0.1351","","","","","","1.031","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510854","9.5629","0.0002","11.0734","0.0003","23.6751","0.0005","90","","97.364","0.001","90","","2486.37","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C57 H78 N2 O4 -","- C57 H78 N2 O4 -","- C114 H156 N4 O8 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0754","0.0483","","","0.121","0.1381","","","","","","1.057","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510855","9.7348","0.0006","11.0149","0.0007","23.2365","0.0015","90","","96.505","0.002","90","","2475.6","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H76 N2 O4 -","- C55 H76 N2 O4 -","- C110 H152 N4 O8 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0814","0.0585","","","0.1844","0.2205","","","","","","1.097","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510856","10.0975","0.0002","23.5055","0.0004","12.3564","0.0002","90","","100.877","0.001","90","","2880.06","0.09","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C63 H82 Br N3 O4 -","- C63 H82 Br N3 O4 -","- C126 H164 Br2 N6 O8 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0866","0.0802","","","0.2193","0.2243","","","","","","1.044","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510857","15.3033","0.0014","16.0086","0.0012","11.7349","0.0011","90","","110.679","0.003","90","","2689.6","0.4","153","2","153","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C54 H78 O12 -","- C54 H78 O12 -","- C108 H156 O24 -","2","1","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.1057","0.0669","","","0.1883","0.2152","","","","","","1.032","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510858","9.8931","0.0003","10.4773","0.0003","14.153","0.0004","103.77","0.002","92.73","0.002","106.487","0.002","1355.77","0.07","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H80 N4 O4 -","- C58 H80 N4 O4 -","- C58 H80 N4 O4 -","1","0.5","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.0836","0.0597","","","0.1796","0.2169","","","","","","1.116","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510859","18.4188","0.0005","23.1823","0.0006","26.0905","0.0006","90","","91.299","0.001","90","","11137.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H86 O9 -","- C60 H86 O9 -","- C480 H688 O72 -","8","2","","Fischer, Conrad; Bombicz, Petra; Seichter, Wilhelm; Katzsch, Felix; Weber, Edwin","Bridge-Disubstituted Calix[4]arenes in the Rare 1,2-Alternate Conformation: Control of the Inclusion Behavior Depending on the Bridge Substituents","Crystal Growth & Design","2012","12","5","2445","","10.1021/cg3000735","","","0.71073","MoKα","","0.087","0.0625","","","0.1848","0.2055","","","","","","1.173","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4513989","6.8412","0.0004","9.1081","0.0006","15.4906","0.0009","94.527","0.002","101.197","0.002","110.28","0.002","876.87","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","16045a","","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C38 H38 Br2 O10 -","2","1","","Widen, John C.; Kempema, Aaron M.; Villalta, Peter W.; Harki, Daniel A.","Targeting NF-κB p65 with a Helenalin Inspired Bis-electrophile.","ACS chemical biology","2017","12","1","102","113","10.1021/acschembio.6b00751","","","1.54178","CuKα","","0.0284","0.0277","","","0.073","0.0736","","","","","","1.113","","","","has coordinates,has disorder","193396","2020-10-21","18:00:00",""
"4514088","9.5075","0.0004","10.8348","0.0005","16.6081","0.0007","106.325","0.0005","95.4554","0.0005","92.1864","0.0005","1630.65","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 Au F6 N3 P2 S -","- C33 H28 Au F6 N3 P2 S -","- C66 H56 Au2 F12 N6 P4 S2 -","2","1","","Pérez, Sergio A; de Haro, Concepción; Vicente, Consuelo; Donaire, Antonio; Zamora, Ana; Zajac, Juraj; Kostrhunova, Hana; Brabec, Viktor; Bautista, Delia; Ruiz, José","New Acridine Thiourea Gold(I) Anticancer Agents: Targeting the Nucleus and Inhibiting Vasculogenic Mimicry.","ACS chemical biology","2017","12","6","1524","1537","10.1021/acschembio.7b00090","","","0.71073","MoKα","","0.0252","0.0207","","","0.0453","0.0466","","","","","","1.046","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514277","12.974","0.003","41.124","0.008","16.447","0.003","90","","98.2","0.03","90","","8685","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H137 N11 O33 -","- C64 H111 N11 O33 -","- C256 H444 N44 O132 -","4","2","","Götze, Sebastian; Herbst-Irmer, Regine; Klapper, Martin; Görls, Helmar; Schneider, Kilian R. A.; Barnett, Robert; Burks, Thomas; Neu, Ursula; Stallforth, Pierre","Structure, Biosynthesis, and Biological Activity of the Cyclic Lipopeptide Anikasin.","ACS chemical biology","2017","12","10","2498","2502","10.1021/acschembio.7b00589","","","0.89429","","","0.1193","0.0921","","","0.2511","0.2766","","","","","","1.034","","","","has coordinates,has disorder","202573","2020-10-21","18:00:00",""
"4514332","3.9742","0.0002","19.4868","0.0011","14.9127","0.0007","90","","92.426","0.003","90","","1153.87","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 N -","- C14 H6 Br2 N -","- C56 H24 Br8 N4 -","4","1","","Liu, Wei; Ulaganathan, Mani; Abdelwahab, Ibrahim; Luo, Xin; Chen, Zhongxin; Rong Tan, Sherman Jun; Wang, Xiaowei; Liu, Yanpeng; Geng, Dechao; Bao, Yang; Chen, Jianyi; Loh, Kian Ping","Two-Dimensional Polymer Synthesized via Solid-State Polymerization for High-Performance Supercapacitors.","ACS nano","2018","12","1","852","860","10.1021/acsnano.7b08354","","","0.71073","MoKα","","0.0632","0.0478","","","0.1011","0.1075","","","","","","1.124","","","","has coordinates","206135","2020-10-21","18:00:00",""
"4514333","3.8581","0.0002","10.5438","0.0006","16.1258","0.0009","96.687","0.003","96.766","0.002","95.701","0.002","642.72","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H7 Br2 N2 -","- C17 H7 Br2 N2 -","- C34 H14 Br4 N4 -","2","1","","Liu, Wei; Ulaganathan, Mani; Abdelwahab, Ibrahim; Luo, Xin; Chen, Zhongxin; Rong Tan, Sherman Jun; Wang, Xiaowei; Liu, Yanpeng; Geng, Dechao; Bao, Yang; Chen, Jianyi; Loh, Kian Ping","Two-Dimensional Polymer Synthesized via Solid-State Polymerization for High-Performance Supercapacitors.","ACS nano","2018","12","1","852","860","10.1021/acsnano.7b08354","","","0.71073","MoKα","","0.0643","0.0352","","","0.06","0.0663","","","","","","1.038","","","","has coordinates","206135","2020-10-21","18:00:00",""
"4514334","19.9","","3.34","","15.2","","90","","112.4","","90","","934.053","","293","","293","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Tantalum trisufide","","- S3 Ta -","- S4.5 Ta1.5 -","- S36 Ta12 -","8","1","","Mayorga-Martinez, Carmen C; Sofer, Zdeněk; Luxa, Jan; Huber, Štěpán; Sedmidubský, David; Brázda, Petr; Palatinus, Lukáš; Mikulics, Martin; Lazar, Petr; Medlín, Rostislav; Pumera, Martin","TaS3 Nanofibers: Layered Trichalcogenide for High-Performance Electronic and Sensing Devices.","ACS nano","2018","12","1","464","473","10.1021/acsnano.7b06853","","electron","0.0335","electron","","0.1434","0.0853","","","0.0901","0.0931","","","","2.87","2.87","2.08","","","","has coordinates","206136","2020-10-21","18:00:00",""
"4514335","9.52","","3.34","","14.9","","90","","110","","90","","445.2","","293","","293","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Tantalum trisufide","","- S3 Ta -","- S4.5 Ta1.5 -","- S18 Ta6 -","4","1","","Mayorga-Martinez, Carmen C; Sofer, Zdeněk; Luxa, Jan; Huber, Štěpán; Sedmidubský, David; Brázda, Petr; Palatinus, Lukáš; Mikulics, Martin; Lazar, Petr; Medlín, Rostislav; Pumera, Martin","TaS3 Nanofibers: Layered Trichalcogenide for High-Performance Electronic and Sensing Devices.","ACS nano","2018","12","1","464","473","10.1021/acsnano.7b06853","","electron","0.0335","electron","","0.1358","0.0705","","","0.0766","0.0785","","","","2.76","2.76","2.1","","","","has coordinates","206136","2020-10-21","18:00:00",""
"4514355","18.658","0.003","6.9085","0.0011","28.256","0.004","90","","97.233","0.011","90","","3613.2","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90.5 H69 F10 N4 O4.5 Zn -","- C90.5 H69 F10 N4 O4.5 Zn -","- C181 H138 F20 N8 O9 Zn2 -","2","0.5","","Nowakowska, Sylwia; Mazzola, Federico; Alberti, Mariza N.; Song, Fei; Voigt, Tobias; Nowakowski, Jan; Wäckerlin, Aneliia; Wäckerlin, Christian; Wiss, Jérôme; Schweizer, W. Bernd; Broszio, Max; Polley, Craig; Leandersson, Mats; Fatayer, Shadi; Ivas, Toni; Baljozovic, Milos; Mousavi, S. Fatemeh; Ahsan, Aisha; Nijs, Thomas; Popova, Olha; Zhang, Jun; Muntwiler, Matthias; Thilgen, Carlo; Stöhr, Meike; Pasti, Igor A.; Skorodumova, Natalia V.; Diederich, François; Wells, Justin; Jung, Thomas A.","Adsorbate-Induced Modification of the Confining Barriers in a Quantum Box Array.","ACS nano","2018","12","1","768","778","10.1021/acsnano.7b07989","","","1.54178","CuKα","","0.1949","0.116","","","0.2708","0.306","","","","","","1.554","","","","has coordinates,has disorder","206134","2020-10-21","18:00:00",""
"4516818","17.99","0.006","18.597","0.006","18.679","0.006","90","","89.996","0.002","90","","6249","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H44 N4 Ni S0 Y -","- C91 H44 N4 Ni Y1.0001 -","- C364 H176 N16 Ni4 Y4.0004 -","4","1","","Pan, Changwang; Bao, Lipiao; Yu, Xianyong; Fang, Hongyun; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Facile Access to Y<sub>2</sub>C<sub>2n</sub> (2n = 92-130) and Crystallographic Characterization of Y<sub>2</sub>C<sub>2</sub>@C<sub>1</sub>(1660)-C<sub>108</sub>: A Giant Nanocapsule with a Linear Carbide Cluster.","ACS nano","2018","12","2","2065","2069","10.1021/acsnano.8b00384","","","0.6525","synchrotron","","0.0918","0.0803","","","0.2152","0.2246","","","","","","1.157","","","","has coordinates,has disorder","239566","2020-10-21","18:00:00",""
"4516819","10.856","0.002","11.859","0.002","17.712","0.004","92.06","0.03","93.78","0.03","114.52","0.03","2065.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H42 N4 O12 -","- C51 H42 N4 O12 -","- C102 H84 N8 O24 -","2","1","","Burian, Max; Rigodanza, Francesco; Demitri, Nicola; D Ord Ević, Luka; Marchesan, Silvia; Steinhartova, Tereza; Letofsky-Papst, Ilse; Khalakhan, Ivan; Mourad, Eléonore; Freunberger, Stefan A.; Amenitsch, Heinz; Prato, Maurizio; Syrgiannis, Zois","Inter-Backbone Charge Transfer as Prerequisite for Long-Range Conductivity in Perylene Bisimide Hydrogels.","ACS nano","2018","12","6","5800","5806","10.1021/acsnano.8b01689","","","0.7","Synchrotron","","0.1919","0.0977","","","0.2587","0.3263","","","","","","1.02","","","","has coordinates,has disorder","239567","2020-10-21","18:00:00",""
"4516820","15.5848","0.0007","15.5848","0.0007","9.895","0.0005","90","","90","","90","","2403.4","0.2","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","diiodidoacetamidedicopper(I)","","- C2 H5 Cu2 I2 N S -","- C2 Cu2 I2 N S -","- C24 Cu24 I24 N12 S12 -","12","0.75","","Moreno-Moreno, Miriam; Troyano, Javier; Ares, Pablo; Castillo, Oscar; Nijhuis, Christian A.; Yuan, Li; Amo-Ochoa, Pilar; Delgado, Salomé; Gómez-Herrero, Julio; Zamora, Félix; Gómez-Navarro, Cristina","One-Pot Preparation of Mechanically Robust, Transparent, Highly Conductive, and Memristive Metal-Organic Ultrathin Film.","ACS nano","2018","12","10","10171","10177","10.1021/acsnano.8b05056","","x-ray","0.71073","MoKα","","0.0438","0.0389","","","0.1065","0.1091","","","","","","1.077","","","","has coordinates,has disorder","239568","2020-10-21","18:00:00",""
"4516821","15.6261","0.0018","15.6261","0.0018","9.9155","0.0013","90","","90","","90","","2421.1","0.5","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","diiodidoacetamidedicopper(I)","","- C2 H5 Cu2 I2 N S -","- C2 Cu2 I2 N S -","- C24 Cu24 I24 N12 S12 -","12","0.75","","Moreno-Moreno, Miriam; Troyano, Javier; Ares, Pablo; Castillo, Oscar; Nijhuis, Christian A.; Yuan, Li; Amo-Ochoa, Pilar; Delgado, Salomé; Gómez-Herrero, Julio; Zamora, Félix; Gómez-Navarro, Cristina","One-Pot Preparation of Mechanically Robust, Transparent, Highly Conductive, and Memristive Metal-Organic Ultrathin Film.","ACS nano","2018","12","10","10171","10177","10.1021/acsnano.8b05056","","x-ray","0.71073","MoKα","","0.055","0.0488","","","0.1293","0.1341","","","","","","1.076","","","","has coordinates,has disorder","239568","2020-10-21","18:00:00",""
"4516822","15.6634","0.0003","15.6634","0.0003","9.9466","0.0002","90","","90","","90","","2440.32","0.08","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","diiodidoacetamidedicopper(I)","","- C2 H5 Cu2 I2 N S -","- C2 Cu2 I2 N S -","- C24 Cu24 I24 N12 S12 -","12","0.75","","Moreno-Moreno, Miriam; Troyano, Javier; Ares, Pablo; Castillo, Oscar; Nijhuis, Christian A.; Yuan, Li; Amo-Ochoa, Pilar; Delgado, Salomé; Gómez-Herrero, Julio; Zamora, Félix; Gómez-Navarro, Cristina","One-Pot Preparation of Mechanically Robust, Transparent, Highly Conductive, and Memristive Metal-Organic Ultrathin Film.","ACS nano","2018","12","10","10171","10177","10.1021/acsnano.8b05056","","x-ray","0.71073","MoKα","","0.0609","0.053","","","0.1427","0.1484","","","","","","1.065","","","","has coordinates,has disorder","239568","2020-10-21","18:00:00",""
"4516823","15.5789","0.0007","15.5789","0.0007","9.8848","0.0004","90","","90","","90","","2399.06","0.18","110","2","110","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","diiodidoacetamidedicopper(I)","","- C2 H5 Cu2 I2 N S -","- C2 Cu2 I2 N S -","- C24 Cu24 I24 N12 S12 -","12","0.75","","Moreno-Moreno, Miriam; Troyano, Javier; Ares, Pablo; Castillo, Oscar; Nijhuis, Christian A.; Yuan, Li; Amo-Ochoa, Pilar; Delgado, Salomé; Gómez-Herrero, Julio; Zamora, Félix; Gómez-Navarro, Cristina","One-Pot Preparation of Mechanically Robust, Transparent, Highly Conductive, and Memristive Metal-Organic Ultrathin Film.","ACS nano","2018","12","10","10171","10177","10.1021/acsnano.8b05056","","x-ray","0.71073","MoKα","","0.0526","0.0413","","","0.1104","0.1148","","","","","","1.014","","","","has coordinates,has disorder","239568","2020-10-21","18:00:00",""
"4516824","15.6719","0.0004","15.6719","0.0004","9.9574","0.0002","90","","90","","90","","2445.62","0.1","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","diiodidoacetamidedicopper(I)","","- C2 H5 Cu2 I2 N S -","- C2 Cu2 I2 N S -","- C24 Cu24 I24 N12 S12 -","12","0.75","","Moreno-Moreno, Miriam; Troyano, Javier; Ares, Pablo; Castillo, Oscar; Nijhuis, Christian A.; Yuan, Li; Amo-Ochoa, Pilar; Delgado, Salomé; Gómez-Herrero, Julio; Zamora, Félix; Gómez-Navarro, Cristina","One-Pot Preparation of Mechanically Robust, Transparent, Highly Conductive, and Memristive Metal-Organic Ultrathin Film.","ACS nano","2018","12","10","10171","10177","10.1021/acsnano.8b05056","","x-ray","0.71073","MoKα","","0.0717","0.0472","","","0.1261","0.1352","","","","","","0.985","","","","has coordinates,has disorder","239568","2020-10-21","18:00:00",""
"4517035","7.1418","0.0008","7.6788","0.0009","10.5822","0.0009","73.72","0.009","81.906","0.008","67.038","0.011","512.6","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","1","0.5","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.11","0.0411","","","0.0678","0.0768","","","","","","0.748","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517036","10.721","0.001","12.274","0.001","12.704","0.002","79.037","0.009","88.21","0.01","64.41","0.01","1477.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N4 O8 -","- C32 H32 N4 O8 -","- C64 H64 N8 O16 -","2","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.2051","0.0941","","","0.2236","0.2606","","","","","","0.946","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517037","6.0716","0.0006","9.41","0.001","10.012","0.001","64.52","0.01","78.8","0.01","80.197","0.009","504.12","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O10 -","- C20 H22 N2 O10 -","- C20 H22 N2 O10 -","1","0.5","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.1491","0.057","","","0.0986","0.1267","","","","","","0.688","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517038","7.1154","0.0009","7.6589","0.0006","10.6261","0.0008","73.925","0.007","82.258","0.008","66.876","0.01","511.51","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O10 -","- C20 H22 N2 O10 -","- C20 H22 N2 O10 -","1","0.5","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.1206","0.0454","","","0.0938","0.1105","","","","","","0.767","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517039","8.31","0.0002","8.561","0.0002","13.769","0.0004","85.77","0.001","89.028","0.002","84.406","0.001","972.19","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N2 O10 -","- C20 H18 N2 O10 -","- C40 H36 N4 O20 -","2","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.1917","0.0767","","","0.1888","0.222","","","","","","0.805","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517040","7.0584","0.0004","10.8433","0.0006","18.2878","0.001","90","","94.893","0.005","90","","1394.58","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.0742","0.0386","","","0.0839","0.0902","","","","","","0.914","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517041","7.932","0.004","11.302","0.0005","11.3062","0.0001","110.446","0.002","103.648","0.003","93.794","0.002","910.5","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","- C40 H36 N4 O16 -","2","1","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.1945","0.0846","","","0.2453","0.2892","","","","","","0.96","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517043","10.4956","0.0009","11.1647","0.0008","18.176","0.0016","86.743","0.007","76.427","0.007","64.585","0.008","1867.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N2 O4.5 -","- C17 H17 N2 O4.5 -","- C68 H68 N8 O18 -","4","2","","Braga, Dario; d’Agostino, Simone; Grepioni, Fabrizia","Co-Crystals and Salts Obtained from Dinitrogen Bases and 1,2,3,4-Cyclobutane Tetracarboxylic Acid and the Use of the Latter As a Template for Solid-State Photocyclization Reactions","Crystal Growth & Design","2012","12","10","4880","","10.1021/cg300716q","","","0.71073","MoKα","","0.2511","0.1307","","","0.3344","0.4257","","","","","","1.141","","","","has coordinates","239711","2020-10-21","18:00:00",""
"4517044","8.1128","0.0009","11.0482","0.0011","17.788","0.002","89.267","0.004","79.228","0.004","78.377","0.004","1533.6","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 N2 O4 -","- C34 H48 N2 O4 -","- C68 H96 N4 O8 -","2","1","","Khorasani, Sanaz; Fernandes, Manuel A.; Perry, Christopher B.","Do 12-Membered Cycloalkane Rings Only Exist As One Conformation in the Solid-State? A Detailed Solid-State Analysis Involving Polymorphs of N,N′-Biscyclododecyl Pyromellitic Diimide","Crystal Growth & Design","2012","12","12","5908","","10.1021/cg300765b","","","0.71073","MoKα","","0.1766","0.0488","","","0.0908","0.1359","","","","","","0.678","","","","has coordinates","239712","2020-10-21","18:00:00",""
"4517045","19.5309","0.0007","10.1243","0.0004","17.5617","0.0006","90","","121.951","0.001","90","","2946.5","0.19","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 N2 O4 -","- C34 H48 N2 O4 -","- C136 H192 N8 O16 -","4","0.5","","Khorasani, Sanaz; Fernandes, Manuel A.; Perry, Christopher B.","Do 12-Membered Cycloalkane Rings Only Exist As One Conformation in the Solid-State? A Detailed Solid-State Analysis Involving Polymorphs of N,N′-Biscyclododecyl Pyromellitic Diimide","Crystal Growth & Design","2012","12","12","5908","","10.1021/cg300765b","","","0.71073","MoKα","","0.0621","0.0424","","","0.0987","0.1064","","","","","","1.021","","","","has coordinates","239713","2020-10-21","18:00:00",""
"4517046","5.0512","0.0008","12.027","0.003","14.251","0.003","90","","96.774","0.017","90","","859.7","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-ethoxybenzamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.","Molecular Conformation and Crystallization: The Case of Ethenzamide","Crystal Growth & Design","2012","12","12","6110","","10.1021/cg301244x","","","0.7107","MoKα","","0.253","0.1378","","","0.2961","0.3519","","","","","","1.143","","","","has coordinates","239714","2020-10-21","18:00:00",""
"4517047","5.0339","0.0005","11.8782","0.0013","14.1229","0.0015","90","","96.59","0.01","90","","838.88","0.15","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-ethoxybenzamide","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.","Molecular Conformation and Crystallization: The Case of Ethenzamide","Crystal Growth & Design","2012","12","12","6110","","10.1021/cg301244x","","","0.7107","MoKα","","0.0981","0.0504","","","0.12","0.1312","","","","","","0.947","","","","has coordinates","239714","2020-10-21","18:00:00",""
"4517048","7.3241","0.0007","13.5843","0.0009","14.8048","0.001","90","","95.715","0.007","90","","1465.6","0.2","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ethenzamide - 2,6-dihydroxybenzoic acid","2-ethoxybenzamide - 2,6-dihydroxybenzoic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.","Molecular Conformation and Crystallization: The Case of Ethenzamide","Crystal Growth & Design","2012","12","12","6110","","10.1021/cg301244x","","","0.7107","MoKα","","0.0941","0.0509","","","0.1209","0.1304","","","","","","0.895","","","","has coordinates","239714","2020-10-21","18:00:00",""
"4517049","14.9456","0.0009","14.5611","0.0006","7.7198","0.0005","90","","103.794","0.006","90","","1631.56","0.16","233","","233","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-ethoxybenzamide 3,5-dichlorobenzoic acid","","- C16 H15 Cl2 N O4 -","- C16 H15 Cl2 N O4 -","- C64 H60 Cl8 N4 O16 -","4","1","","Back, Kevin R.; Davey, Roger J.; Grecu, Tudor; Hunter, Christopher A.; Taylor, Lynne S.","Molecular Conformation and Crystallization: The Case of Ethenzamide","Crystal Growth & Design","2012","12","12","6110","","10.1021/cg301244x","","","0.7107","MoKα","","0.072","0.038","","","0.0886","0.0958","","","","","","0.89","","","","has coordinates","239714","2020-10-21","18:00:00",""
"4517050","21.559","0.001","13.4149","0.0007","11.4446","0.0004","90","","90","","90","","3309.9","0.3","120","2","120","2","","","","","","","Jose Giner Planas","7","P c c a","-P 2a 2ac","54","","","","- C16 H34 B20 Cl2 Co N2 O2 -","- C16 H34 B20 Cl2 Co N2 O2 -","- C64 H136 B80 Cl8 Co4 N8 O8 -","4","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71073","MoKα","","0.0819","0.0654","","","0.1413","0.1479","","","","","","1.178","","","","has coordinates","288505","2023-12-22","15:12:03",""
"4517051","18.545","0.004","13.04","0.003","14.563","0.003","90","","90","","90","","3521.7","1.3","100","2","100","2","","","","","","","Jose Giner Planas","7","P c c n","-P 2ab 2ac","56","","","","- C18 H42 B20 Cl2 Co N2 O4 -","- C18 H42 B20 Cl2 Co N2 O4 -","- C72 H168 B80 Cl8 Co4 N8 O16 -","4","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71075","MoKα","","0.0483","0.0456","","","0.096","0.0973","","","","","","1.17","","","","has coordinates","239715","2020-10-21","18:00:00",""
"4517052","21.4535","0.0006","12.1851","0.0003","12.9133","0.0004","90","","112.726","0.0014","90","","3113.63","0.15","120","2","120","2","","","","","","","Jose Giner Planas","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 B20 Cl2 Co N2 O2 -","- C16 H34 B20 Cl2 Co N2 O2 -","- C64 H136 B80 Cl8 Co4 N8 O8 -","4","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71069","MoKα","","0.1166","0.0878","","","0.201","0.2217","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:03",""
"4517053","17.5338","0.0007","28.8699","0.0013","10.3153","0.0005","90","","101.881","0.001","90","","5109.7","0.4","120","2","120","2","","","","","","","Jose Giner Planas","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H62 B20 Cl2 Co N2 O6 -","- C36 H62 B20 Cl2 Co N2 O6 -","- C144 H248 B80 Cl8 Co4 N8 O24 -","4","1","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71069","MoKα","","0.1161","0.0959","","","0.1866","0.1976","","","","","","1.129","","","","has coordinates,has disorder","239715","2020-10-21","18:00:00",""
"4517054","14.4006","0.0003","22.0313","0.0005","23.8677","0.0005","90","","90","","90","","7572.4","0.3","120","2","120","2","","","","","","","Jose Giner Planas","7","P n a 21","P 2c -2n","33","","","","- C20 H44 B20 Cl2 Co N2 O3 -","- C20 H44 B20 Cl2 Co N2 O3 -","- C160 H352 B160 Cl16 Co8 N16 O24 -","8","2","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71073","MoKα","","0.0991","0.0736","","","0.1677","0.1812","","","","","","1.056","","","","has coordinates","288505","2023-12-22","15:12:03",""
"4517055","11.7395","0.0004","12.3117","0.0004","14.875","0.0005","76.758","0.002","76.878","0.002","64.632","0.002","1870.56","0.11","120","2","120","2","","","","","","","Jose Giner Planas","7","P -1","-P 1","2","","","","- C26 H42 B20 Cl2 Co N2 O2 -","- C26 H42 B20 Cl2 Co N2 O2 -","- C52 H84 B40 Cl4 Co2 N4 O4 -","2","1","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71073","MoKα","","0.1147","0.0787","","","0.1586","0.1814","","","","","","1.018","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"4517056","31.214","0.0016","15.642","0.0007","13.545","0.0006","90","","93.772","0.002","90","","6599","0.5","120","2","120","2","","","","","","","Jose Giner Planas","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H80 B40 Cl2 Co N4 O6 -","- C36 H80 B40 Cl2 Co N4 O6 -","- C144 H320 B160 Cl8 Co4 N16 O24 -","4","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71069","MoKα","","0.195","0.1357","","","0.3308","0.352","","","","","","1.477","","","","has coordinates","288505","2023-12-22","15:12:03",""
"4517057","10.9367","0.0002","10.1603","0.0002","13.3471","0.0003","90","","111.161","0.001","90","","1383.12","0.05","120","2","120","2","","","","","","","Jose Giner Planas","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 B20 Co N2 O2 -","- C16 H32 B20 Co N2 O2 -","- C32 H64 B40 Co2 N4 O4 -","2","0.5","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71073","MoKα","","0.0718","0.0544","","","0.1041","0.1132","","","","","","1.094","","","","has coordinates","288505","2023-12-22","15:12:03",""
"4517058","9.357","0.005","9.914","0.005","10.463","0.005","96.53","0.007","94.002","0.007","103.836","0.007","931.6","0.8","100","2","100","2","","","","","","","Jose Giner Planas","6","P -1","-P 1","2","","","","- C14 H20 B9 Co N2 O3 -","- C14 H20 B9 Co N2 O3 -","- C28 H40 B18 Co2 N4 O6 -","2","1","","Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria","Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes","Crystal Growth & Design","2012","12","11","5720","","10.1021/cg301249a","","","0.71075","MoKα","","0.0628","0.0554","","","0.1245","0.1282","","","","","","1.086","","","","has coordinates","239715","2020-10-21","18:00:00",""
"4517301","18.756","0.002","18.756","0.002","37.339","0.01","90","","90","","120","","11376","3","296","2","296","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24 H12 Cu2 O10 Se -","- C24 H12 Cu2 O10 Se -","- C216 H108 Cu18 O90 Se9 -","9","0.25","","Dong, Qiubing; Guo, Yanan; Cao, Haifei; Wang, Suna; Matsuda, Ryotaro; Duan, Jingui","Accelerated C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation by a Se-Functionalized Porous Coordination Polymer with Low Binding Energy.","ACS applied materials & interfaces","2020","12","3","3764","3772","10.1021/acsami.9b20623","","","0.71073","MoKα","","0.0989","0.0792","","","0.2637","0.289","","","","","","1.149","","","","has coordinates,has disorder","247520","2020-10-21","18:00:00",""
"4517313","11.2531","0.0005","19.4921","0.0006","19.6596","0.0003","96.865","0.002","95.807","0.002","92.809","0.003","4251.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C83 H76 F5 N4 O3 S4 -","- C83 H76 F5 N4 O3 S4 -","- C166 H152 F10 N8 O6 S8 -","2","1","","Feng, Shiyu; Li, Miao; Tang, Ningning; Wang, Xiaodong; Huang, Hao; Ran, Guangliu; Liu, Yahui; Xie, Zengqi; Zhang, Wenkai; Bo, Zhishan","Regulating the Packing of Non-Fullerene Acceptors via Multiple Noncovalent Interactions for Enhancing the Performance of Organic Solar Cells.","ACS applied materials & interfaces","2020","12","4","4638","4648","10.1021/acsami.9b18076","","x-ray","1.54184","CuKα","","0.1875","0.1338","","","0.3507","0.4018","","","","","","1.232","","","","has coordinates,has disorder","247518","2020-10-21","18:00:00",""
"4517314","12.6483","0.0005","12.9721","0.0006","14.7724","0.0004","105.314","0.003","99.476","0.003","116.269","0.004","1982.13","0.17","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C91.94 H103.54 F0.34 N4 O3.66 S4 -","- C91.948 H103.554 F0.342 N4 O3.658 S4 -","- C91.948 H103.554 F0.342 N4 O3.658 S4 -","1","0.5","","Feng, Shiyu; Li, Miao; Tang, Ningning; Wang, Xiaodong; Huang, Hao; Ran, Guangliu; Liu, Yahui; Xie, Zengqi; Zhang, Wenkai; Bo, Zhishan","Regulating the Packing of Non-Fullerene Acceptors via Multiple Noncovalent Interactions for Enhancing the Performance of Organic Solar Cells.","ACS applied materials & interfaces","2020","12","4","4638","4648","10.1021/acsami.9b18076","","x-ray","1.54184","CuKα","","0.14","0.1143","","","0.306","0.3341","","","","","","1.287","","","","has coordinates,has disorder","247518","2020-10-21","18:00:00",""
"4517315","11.302","0.007","11.408","0.007","6.494","0.004","90","","90","","90","","837.3","0.9","","","","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B10 Cl2 O18 Sr4 -","- B10 Cl2 O18 Sr4 -","- B20 Cl4 O36 Sr8 -","2","0.5","","Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa","Ca<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl and Sr<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows.","ACS applied materials & interfaces","2020","12","4","4632","4637","10.1021/acsami.9b21072","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","247519","2020-10-21","18:00:00",""
"4517316","11.1369","0.0006","11.2626","0.0005","6.2995","0.0003","90","","90","","90","","790.15","0.07","101.3","0.3","101.3","0.3","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B10 Ca4 Cl2 O18 -","- B10 Ca4 Cl2 O18 -","- B20 Ca8 Cl4 O36 -","2","0.5","","Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa","Ca<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl and Sr<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows.","ACS applied materials & interfaces","2020","12","4","4632","4637","10.1021/acsami.9b21072","","","0.71073","MoKα","","0.0327","0.0309","","","0.0633","0.0642","","","","","","1.056","","","","has coordinates","247519","2020-10-21","18:00:00",""
"4517419","7.5177","0.0004","7.727","0.0004","11.325","0.0006","72.545","0.003","77.25","0.004","63.092","0.003","556.83","0.05","295","2","295","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H4 F14 S2 -","- C26 H4 F14 S2 -","- C26 H4 F14 S2 -","1","0.5","","Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu","Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices.","ACS applied materials & interfaces","2020","12","8","9507","9519","10.1021/acsami.9b20295","","","1.54186","CuKα","","0.049","0.0404","","","0.1049","0.1092","","","","","","1","","","","has coordinates","248689","2020-10-21","18:00:00",""
"4517420","43.582","0.001","5.8661","0.0001","7.7244","0.0002","90","","90","","90","","1974.79","0.08","295","2","295","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C26 H14 F4 S2 -","- C26 H14 F4 S2 -","- C104 H56 F16 S8 -","4","1","","Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu","Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices.","ACS applied materials & interfaces","2020","12","8","9507","9519","10.1021/acsami.9b20295","","","1.54186","CuKα","","0.0439","0.0369","","","0.0894","0.0916","","","","","","0.934","","","","has coordinates","248689","2020-10-21","18:00:00",""
"4517421","7.342","0.001","25.736","0.005","11.628","0.004","90","","96.3","0.01","90","","2183.9","0.9","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H8 F10 S2 -","- C26 H8 F10 S2 -","- C104 H32 F40 S8 -","4","1","","Sosorev, Andrey Yu; Trukhanov, Vasiliy A.; Maslennikov, Dmitry R.; Borshchev, Oleg V.; Polyakov, Roman A.; Skorotetcky, Maxim S.; Surin, Nikolay M.; Kazantsev, Maxim S.; Dominskiy, Dmitry I.; Tafeenko, Viktor A.; Ponomarenko, Sergey A.; Paraschuk, Dmitry Yu","Fluorinated Thiophene-Phenylene Co-Oligomers for Optoelectronic Devices.","ACS applied materials & interfaces","2020","12","8","9507","9519","10.1021/acsami.9b20295","","","1.54186","CuKα","","0.102","0.0491","","","0.1048","0.1356","","","","","","0.91","","","","has coordinates","248689","2020-10-21","18:00:00",""
"4517454","16.045","0.003","34.887","0.007","16.55","0.003","90","","114.68","0.03","90","","8418","3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C104.5 H98 N4 S3 -","- C104.5 H98 N4 S3 -","- C418 H392 N16 S12 -","4","2","","Li, Panpan; Chan, Chin-Yiu; Lai, Shiu-Lun; Chan, Hing; Leung, Ming-Yi; Hong, Eugene Yau-Hin; Li, Jingwen; Wu, Hongbin; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Three-Dimensional Spirothienoquinoline-Based Small Molecules for Organic Photovoltaic and Organic Resistive Memory Applications.","ACS applied materials & interfaces","2020","12","10","11865","11875","10.1021/acsami.9b19746","","","0.71","synchrotron","","0.0679","0.0647","","","0.1759","0.1813","","","","","","1.042","","","","has coordinates,has disorder","250037","2020-10-21","18:00:00",""
"4517500","14.1795","0.0003","8.7989","0.0002","20.5217","0.0004","90","","102.312","0.002","90","","2501.48","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Ag F6 N4 Sb -","- C26 H18 Ag F6 N4 Sb -","- C104 H72 Ag4 F24 N16 Sb4 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Chen, Jing; Wang, Jia-Jun; Du, Miao; Zhou, Wuzong","A Highly Efficient Coordination Polymer for Selective Trapping and Sensing of Perrhenate/Pertechnetate.","ACS applied materials & interfaces","2020","12","13","15246","15254","10.1021/acsami.0c00775","","","1.54184","CuKα","","0.0483","0.0436","","","0.1191","0.1235","","","","","","1.06","","","","has coordinates","250038","2020-10-21","18:00:00",""
"4517501","14.3428","0.0003","8.6193","0.0002","20.253","0.0005","90","","101.798","0.002","90","","2450.88","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Ag N4 O4 Re -","- C26 H18 Ag N4 O4 Re -","- C104 H72 Ag4 N16 O16 Re4 -","4","1","","Li, Cheng-Peng; Zhou, Hang; Chen, Jing; Wang, Jia-Jun; Du, Miao; Zhou, Wuzong","A Highly Efficient Coordination Polymer for Selective Trapping and Sensing of Perrhenate/Pertechnetate.","ACS applied materials & interfaces","2020","12","13","15246","15254","10.1021/acsami.0c00775","","x-ray","1.54184","CuKα","","0.0486","0.0415","","","0.1076","0.114","","","","","","1.029","","","","has coordinates","250038","2020-10-21","18:00:00",""
"4517562","36.341","0.008","36.43","0.008","25.851","0.007","90","","90.192","0.008","90","","34224","14","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C231 H132 Eu6 O32 -","- C231 H132 Eu6 O32 -","- C924 H528 Eu24 O128 -","4","0.5","","Duan, Zhigang; Li, Yue; Xiao, Xue; Huang, Xiaoli; Li, Xiaoteng; Li, Yiyang; Zhang, Chong; Zhang, Hang; Li, Lin; Lin, Zhihua; Zhao, Yonggang; Huang, Wei","Interpenetrated Metal-Organic Frameworks with <b>ftw</b> Topology and Versatile Functions.","ACS applied materials & interfaces","2020","12","16","18715","18722","10.1021/acsami.0c03336","","","0.71073","MoKα","","0.1153","0.1005","","","0.279","0.2916","","","","","","1.183","","","","has coordinates,has disorder","251420","2020-10-21","18:00:00",""
"4517563","35.6432","0.0009","35.6432","0.0009","43.654","0.003","90","","90","","120","","48029","4","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C231 H144 O32 Zr6 -","- C229.5 H144 O32 Zr6 -","- C1377 H864 O192 Zr36 -","6","0.166667","","Duan, Zhigang; Li, Yue; Xiao, Xue; Huang, Xiaoli; Li, Xiaoteng; Li, Yiyang; Zhang, Chong; Zhang, Hang; Li, Lin; Lin, Zhihua; Zhao, Yonggang; Huang, Wei","Interpenetrated Metal-Organic Frameworks with <b>ftw</b> Topology and Versatile Functions.","ACS applied materials & interfaces","2020","12","16","18715","18722","10.1021/acsami.0c03336","","","0.71073","MoKα","","0.1012","0.0712","","","0.206","0.2239","","","","","","1.044","","","","has coordinates,has disorder","251420","2020-10-21","18:00:00",""
"4517569","7.3777","0.0016","9.654","0.002","10.051","0.002","72.698","0.004","87.979","0.005","70.408","0.005","642.3","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H16 N4 S2 -","- C36 H16 N4 S2 -","- C36 H16 N4 S2 -","1","0.5","","Jin, Jianqun; Wu, Shanyu; Ma, Yudong; Dong, Caiqiao; Wang, Wei; Liu, Xitong; Xu, Haixiao; Long, Guankui; Zhang, Mingtao; Zhang, Jing; Huang, Wei","Nucleation Control-Triggering Cocrystal Polymorphism of Charge-Transfer Complexes Differing in Physical and Electronic Properties.","ACS applied materials & interfaces","2020","12","17","19718","19726","10.1021/acsami.9b23590","","","0.71073","MoKα","","0.0748","0.0704","","","0.2104","0.2137","","","","","","0.868","","","","has coordinates,has disorder","251419","2020-10-21","18:00:00",""
"4517570","11.9205","0.0018","16.126","0.002","13.885","0.002","90","","107.673","0.012","90","","2543.1","0.6","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36.16 H16 N4 S2 -","- C36.188 H16.188 N4 S1.812 -","- C144.752 H64.752 N16 S7.248 -","4","0.5","","Jin, Jianqun; Wu, Shanyu; Ma, Yudong; Dong, Caiqiao; Wang, Wei; Liu, Xitong; Xu, Haixiao; Long, Guankui; Zhang, Mingtao; Zhang, Jing; Huang, Wei","Nucleation Control-Triggering Cocrystal Polymorphism of Charge-Transfer Complexes Differing in Physical and Electronic Properties.","ACS applied materials & interfaces","2020","12","17","19718","19726","10.1021/acsami.9b23590","","","0.71073","MoKα","","0.0659","0.0486","","","0.1152","0.1228","","","","","","1.013","","","","has coordinates,has disorder","251419","2020-10-21","18:00:00",""
"4517662","22.0548","0.0005","8.5264","0.0002","6.69588","0.00017","90","","90","","90","","1259.15","0.05","274","","274","","","","","","","","","3","P n n m","-P 2 2n","58","","","","- C30 H28 N6 -","- C30 H28 N6 -","- C60 H56 N12 -","2","0.25","","Uekusa, Tomoki; Sato, Ryonosuke; Yoo, Dongho; Kawamoto, Tadashi; Mori, Takehiko","Transistor Characteristics of Charge-Transfer Complexes Observed across a Neutral-Ionic Transition.","ACS applied materials & interfaces","2020","12","21","24174","24183","10.1021/acsami.0c03898","","","1.54187","CuKα","","0.1143","0.0611","","","0.1635","0.2204","","","","","","0.998","","","","has coordinates,has disorder","252587","2020-10-21","18:00:00",""
"4517663","11.43","0.0006","11.4436","0.0006","12.7817","0.0006","111.421","0.002","109.215","0.002","94.014","0.002","1434.85","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 N2 O9 Zn -","- C32 H25 N2 O9 Zn -","- C64 H50 N4 O18 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0576","0.0443","","","0.1153","0.1234","","","","","","1.042","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517664","11.509","0.006","12.032","0.006","12.314","0.004","113.678","0.014","104.048","0.01","90.19","0.02","1505.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O7 Zn -","- C32 H30 N2 O7 Zn -","- C64 H60 N4 O14 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0835","0.0646","","","0.1849","0.2041","","","","","","0.988","","","","has coordinates,has disorder","252588","2020-10-21","18:00:00",""
"4517665","29.1423","0.0011","5.7957","0.0002","18.3519","0.0006","90","","102.93","0.001","90","","3021.04","0.18","293.15","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 F3 N O2 Zn0.5 -","- C16 H11 F3 N O2 Zn0.5 -","- C128 H88 F24 N8 O16 Zn4 -","8","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0766","0.0512","","","0.1325","0.1475","","","","","","1.04","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517666","8.2776","0.0003","9.6847","0.0004","20.7439","0.0009","97.158","0.002","92.395","0.002","114.431","0.001","1494.22","0.11","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 N3 O6 Zn -","- C32 H29 N3 O6 Zn -","- C64 H58 N6 O12 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0824","0.0464","","","0.0981","0.1103","","","","","","1.028","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517667","9.5875","0.0006","5.6958","0.0004","16.0243","0.0011","90","","97.841","0.002","90","","866.88","0.1","293","2","293.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C8 H8 N O2 Zn0.5 -","- C8 H8 N O2 Zn0.5 -","- C32 H32 N4 O8 Zn2 -","4","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0544","0.0501","","","0.1496","0.1534","","","","","","1.131","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517668","7.8226","0.0004","12.6076","0.0006","13.0421","0.0007","84.483","0.002","85.003","0.002","76.073","0.001","1239.94","0.11","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O9 Zn -","- C27 H23 N O9 Zn -","- C54 H46 N2 O18 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0325","0.0277","","","0.0684","0.0709","","","","","","1.052","","","","has coordinates,has disorder","252588","2020-10-21","18:00:00",""
"4517669","7.9189","0.0008","12.9658","0.0014","16.808","0.0017","103.514","0.004","99.627","0.004","97.373","0.004","1628.9","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N O12 Zn1.5 -","- C36 H24 N O12 Zn1.5 -","- C72 H48 N2 O24 Zn3 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0955","0.0558","","","0.1651","0.1925","","","","","","1.076","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517670","7.6701","0.0005","11.3348","0.0008","15.8956","0.0012","76.693","0.003","84.984","0.002","73.199","0.002","1287.11","0.16","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O8 Zn -","- C28 H22 N2 O8 Zn -","- C56 H44 N4 O16 Zn2 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.0557","0.0344","","","0.0667","0.0723","","","","","","1.047","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517671","7.95","0.04","15.86","0.07","21.62","0.09","71.45","0.08","80.84","0.07","79.61","0.08","2527","2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H37 N2 O16 Zn2 -","- C52 H37 N2 O16 Zn2 -","- C104 H74 N4 O32 Zn4 -","2","1","","Shao, Zhichao; Zhao, Yujie; Xie, Qiong; Wang, Hongfei; Cui, Yang; Yang, Xiaoqian; Hou, Hongwei","Efficient Identification for Alcohol Homologues and Hyperthermy Based on Coordination Polymer Multiple Structural Transformations.","ACS applied materials & interfaces","2020","12","21","24141","24148","10.1021/acsami.0c05208","","","0.71073","MoKα","","0.2029","0.0658","","","0.0954","0.124","","","","","","0.986","","","","has coordinates","252588","2020-10-21","18:00:00",""
"4517681","28.3898","0.0014","28.3898","0.0014","40.953","0.002","90","","90","","90","","33007","3","200","2","200","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C248 H112 Cr24 N24 O104 -","- C248 H112 Cr24 N24 O104 -","- C496 H224 Cr48 N48 O208 -","2","0.125","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.2593","0.1929","","","0.4657","0.5391","","","","","","2.11","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517682","35.33","0.0013","36.5192","0.0013","45.1327","0.0016","90","","90.828","0.002","90","","58225","4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C372 H246 Cu24 N24 O142 -","- C372 H246 Cu24 N24 O142 -","- C1488 H984 Cu96 N96 O568 -","4","0.5","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.2294","0.1764","","","0.4539","0.5356","","","","","","2.037","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517683","40.7308","0.0019","40.7308","0.0019","38.796","0.002","90","","90","","120","","55740","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C360 H210 Mo24 N24 O108 -","- C360 H210 Mo24 N24 O108 -","- C1080 H630 Mo72 N72 O324 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.1312","0.0981","","","0.2619","0.3181","","","","","","1.034","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517684","26.9144","0.0009","28.3903","0.0009","33.0223","0.0011","112.573","0.002","110.846","0.002","91.041","0.002","21421.3","1.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C382 H216 Cu24 N24 O144 -","- C382 H216 Cu24 N24 O144 -","- C382 H216 Cu24 N24 O144 -","1","0.5","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.1785","0.1385","","","0.3842","0.4418","","","","","","1.814","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517685","36.2688","0.0006","36.2688","0.0006","53.74","0.0009","90","","90","","120","","61220.2","1.8","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C396 H420 Cu24 N54 O162 -","- C396 H420 Cu24 N54 O162 -","- C1188 H1260 Cu72 N162 O486 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.0916","0.0813","","","0.2401","0.2638","","","","","","1.033","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517686","28.327","0.002","28.327","0.002","40.322","0.003","90","","90","","90","","32355","4","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C360 H216 Cu24 N24 O120 -","- C360 H216 Cu24 N24 O120 -","- C720 H432 Cu48 N48 O240 -","2","0.125","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.2297","0.2041","","","0.5532","0.5806","","","","","","2.947","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517687","35.7322","0.0016","35.7322","0.0016","53.462","0.003","90","","90","","120","","59115","5","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C336 H324 Cu24 N36 O138 -","- C336 H324 Cu24 N36 O138 -","- C1008 H972 Cu72 N108 O414 -","3","0.166667","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","1.54178","CuKα","","0.1312","0.0995","","","0.2741","0.3082","","","","","","1.142","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517688","28.755","0.006","36.718","0.007","37.195","0.007","90","","102.779","0.008","90","","38299","13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C338 H192 Cu24 N24 O158 -","- C338 H192 Cu24 N24 O158 -","- C676 H384 Cu48 N48 O316 -","2","0.5","","Taggart, Garrett A.; Antonio, Alexandra M.; Lorzing, Gregory R.; Yap, Glenn P. A.; Bloch, Eric D.","Tuning the Porosity, Solubility, and Gas-Storage Properties of Cuboctahedral Coordination Cages via Amide or Ester Functionalization.","ACS applied materials & interfaces","2020","12","22","24913","24919","10.1021/acsami.0c06434","","","0.71073","MoKα","","0.2359","0.1424","","","0.3741","0.4389","","","","","","1.394","","","","has coordinates","256979","2020-10-21","18:00:00",""
"4517859","24.012","0.0018","14.093","0.0009","16.6128","0.0016","90","","107.838","0.01","90","","5351.5","0.8","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C72 H84 K3 O60 -","- C72 H84 K3 O60 -","- C144 H168 K6 O120 -","2","0.5","","Li, Han; Shi, Linfan; Li, Chao; Fu, Xiong; Huang, Qiang; Zhang, Bin","Metal-Organic Framework Based on α-Cyclodextrin Gives High Ethylene Gas Adsorption Capacity and Storage Stability.","ACS applied materials & interfaces","2020","12","30","34095","34104","10.1021/acsami.0c08594","","x-ray","1.54184","CuKα","","0.1175","0.077","","","0.2018","0.2293","","","","","","0.938","","","","has coordinates","256984","2020-10-21","18:00:00",""
"4517860","11.5709","0.0001","15.9742","0.0001","26.5954","0.0001","90","","90","","90","","4915.78","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 Na O31 -","- C36 H57 Na O31 -","- C144 H228 Na4 O124 -","4","1","","Li, Han; Shi, Linfan; Li, Chao; Fu, Xiong; Huang, Qiang; Zhang, Bin","Metal-Organic Framework Based on α-Cyclodextrin Gives High Ethylene Gas Adsorption Capacity and Storage Stability.","ACS applied materials & interfaces","2020","12","30","34095","34104","10.1021/acsami.0c08594","","","1.54178","CuKα","","0.047","0.0468","","","0.1386","0.1388","","","","","","1.097","","","","has coordinates","256984","2020-10-21","18:00:00",""
"4517906","7.63471","0.00012","7.63471","0.00012","7.63471","0.00012","90","","90","","90","","445.018","0.012","40","","40","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.31","7.6","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517907","7.63463","0.00011","7.63463","0.00011","7.63463","0.00011","90","","90","","90","","445.004","0.011","20","","20","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.39","7.64","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517908","7.63471","0.00012","7.63471","0.00012","7.63471","0.00012","90","","90","","90","","445.018","0.012","120","","120","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.29","7.66","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517909","7.63536","0.00013","7.63536","0.00013","7.63536","0.00013","90","","90","","90","","445.132","0.013","180","","180","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.24","7.75","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517910","7.63664","0.00011","7.63664","0.00011","7.63664","0.00011","90","","90","","90","","445.356","0.011","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.23","7.68","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517911","7.6351","0.00013","7.6351","0.00013","7.6351","0.00013","90","","90","","90","","445.086","0.013","160","","160","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.28","7.72","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517912","7.63496","0.00013","7.63496","0.00013","7.63496","0.00013","90","","90","","90","","445.062","0.013","140","","140","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.26","7.69","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517913","7.63603","0.00011","7.63603","0.00011","7.63603","0.00011","90","","90","","90","","445.249","0.011","220","","220","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.26","7.68","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517914","7.63458","0.00012","7.63458","0.00012","7.63458","0.00012","90","","90","","90","","444.995","0.012","60","","60","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.28","7.58","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517915","7.63706","0.00011","7.63706","0.00011","7.63706","0.00011","90","","90","","90","","445.429","0.011","260","","260","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.2","7.69","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517916","7.63467","0.00012","7.63467","0.00012","7.63467","0.00012","90","","90","","90","","445.011","0.012","100","","100","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.25","7.62","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517917","7.63563","0.00013","7.63563","0.00013","7.63563","0.00013","90","","90","","90","","445.179","0.013","200","","200","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.28","7.73","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517918","7.63757","0.00012","7.63757","0.00012","7.63757","0.00012","90","","90","","90","","445.518","0.012","280","","280","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.23","7.7","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517919","7.63863","0.00012","7.63863","0.00012","7.63863","0.00012","90","","90","","90","","445.704","0.012","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","7.71","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517920","7.63456","0.00012","7.63456","0.00012","7.63456","0.00012","90","","90","","90","","444.992","0.012","80","","80","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 S Zn4 -","- B6 O12 S Zn4 -","- B12 O24 S2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.25","7.6","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517921","7.47281","0.00014","7.47281","0.00014","7.47281","0.00014","90","","90","","90","","417.303","0.014","120","","120","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.09","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517922","7.47607","0.00016","7.47607","0.00016","7.47607","0.00016","90","","90","","90","","417.85","0.015","300","","300","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.05","5.82","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517923","7.4745","0.00017","7.4745","0.00017","7.4745","0.00017","90","","90","","90","","417.586","0.016","240","","240","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.03","5.74","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517924","7.4726","0.00012","7.4726","0.00012","7.4726","0.00012","90","","90","","90","","417.268","0.012","20","","20","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.19","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517925","7.47266","0.00011","7.47266","0.00011","7.47266","0.00011","90","","90","","90","","417.278","0.011","5","","5","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.17","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517926","7.47268","0.00015","7.47268","0.00015","7.47268","0.00015","90","","90","","90","","417.282","0.015","100","","100","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.05","5.78","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517927","7.47262","0.00014","7.47262","0.00014","7.47262","0.00014","90","","90","","90","","417.271","0.014","80","","80","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.12","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517928","7.47305","0.00014","7.47305","0.00014","7.47305","0.00014","90","","90","","90","","417.344","0.014","160","","160","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.08","5.78","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517929","7.47296","0.00013","7.47296","0.00013","7.47296","0.00013","90","","90","","90","","417.328","0.013","140","","140","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.09","5.77","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517930","7.47497","0.00016","7.47497","0.00016","7.47497","0.00016","90","","90","","90","","417.665","0.015","260","","260","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.08","5.76","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517931","7.47257","0.00014","7.47257","0.00014","7.47257","0.00014","90","","90","","90","","417.263","0.014","60","","60","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.09","5.79","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517932","7.47552","0.00015","7.47552","0.00015","7.47552","0.00015","90","","90","","90","","417.757","0.015","280","","280","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.08","5.8","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517933","7.4727","0.00009","7.4727","0.00009","7.4727","0.00009","90","","90","","90","","417.285","0.009","40","","40","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.12","5.79","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517934","7.47339","0.00013","7.47339","0.00013","7.47339","0.00013","90","","90","","90","","417.4","0.013","180","","180","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.07","5.74","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517935","7.47412","0.00011","7.47412","0.00011","7.47412","0.00011","90","","90","","90","","417.523","0.011","220","","220","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.07","5.72","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517936","7.47373","0.00014","7.47373","0.00014","7.47373","0.00014","90","","90","","90","","417.457","0.014","200","","200","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- B6 O13 Zn4 -","- B6 O13 Zn4 -","- B12 O26 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.04","5.77","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517937","7.68474","0.00008","7.68474","0.00008","7.68474","0.00008","90","","90","","90","","453.824","0.008","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.54","7.17","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517938","7.68392","0.00008","7.68392","0.00008","7.68392","0.00008","90","","90","","90","","453.679","0.008","280","","280","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.58","7.22","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517939","7.68194","0.00008","7.68194","0.00008","7.68194","0.00008","90","","90","","90","","453.328","0.008","200","","200","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.59","7.19","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517940","7.68083","0.00007","7.68083","0.00007","7.68083","0.00007","90","","90","","90","","453.132","0.007","40","","40","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.79","7.3","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517941","7.68092","0.00008","7.68092","0.00008","7.68092","0.00008","90","","90","","90","","453.148","0.008","100","","100","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.67","7.26","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517942","7.68085","0.00008","7.68085","0.00008","7.68085","0.00008","90","","90","","90","","453.135","0.008","20","","20","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.77","7.27","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517943","7.68132","0.00008","7.68132","0.00008","7.68132","0.00008","90","","90","","90","","453.218","0.008","160","","160","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.68","7.21","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517944","7.68233","0.00008","7.68233","0.00008","7.68233","0.00008","90","","90","","90","","453.397","0.008","220","","220","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.55","7.2","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517945","7.68087","0.00007","7.68087","0.00007","7.68087","0.00007","90","","90","","90","","453.139","0.007","60","","60","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.7","7.29","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517946","7.6812","0.00008","7.6812","0.00008","7.6812","0.00008","90","","90","","90","","453.197","0.008","140","","140","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.69","7.21","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517947","7.68106","0.00007","7.68106","0.00007","7.68106","0.00007","90","","90","","90","","453.172","0.007","120","","120","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.76","7.22","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517948","7.68084","0.00008","7.68084","0.00008","7.68084","0.00008","90","","90","","90","","453.133","0.008","5","","5","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.05","7.38","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517949","7.68336","0.00008","7.68336","0.00008","7.68336","0.00008","90","","90","","90","","453.58","0.008","300","","300","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.54","7.16","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517950","7.68092","0.00008","7.68092","0.00008","7.68092","0.00008","90","","90","","90","","453.148","0.008","80","","80","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.79","7.26","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517951","7.68153","0.00008","7.68153","0.00008","7.68153","0.00008","90","","90","","90","","453.256","0.008","180","","180","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.62","7.2","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517952","7.68284","0.00008","7.68284","0.00008","7.68284","0.00008","90","","90","","90","","453.488","0.008","240","","240","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- B6 O12 Se Zn4 -","- B6 O12 Se Zn4 -","- B12 O24 Se2 Zn8 -","2","0.0416667","","Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai","Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).","ACS applied materials & interfaces","2020","12","34","38435","38440","10.1021/acsami.0c12351","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.56","7.2","","","","","","","has coordinates","255857","2020-10-21","18:00:00",""
"4517961","12.2976","0.001","15.1864","0.001","17.2929","0.0007","98.138","0.004","108.822","0.005","105.573","0.007","2850.9","0.4","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C84 H64 Eu5 N2 O47.5 -","- C84 H64 Eu5 N2 O47.5 -","- C84 H64 Eu5 N2 O47.5 -","1","0.5","","Dong, Jie; Hou, Sheng-Li; Zhao, Bin","Bimetallic Lanthanide-Organic Framework Membranes as a Self-Calibrating Luminescent Sensor for Rapidly Detecting Antibiotics in Water.","ACS applied materials & interfaces","2020","12","34","38124","38131","10.1021/acsami.0c09940","","x-ray","0.71073","MoKα","","0.1102","0.0777","","","0.209","0.2426","","","","","","1.045","","","","has coordinates","255858","2020-10-21","18:00:00",""
"4517969","7.4091","0.0007","28.528","0.003","7.5842","0.0008","90","","119.424","0.007","90","","1396.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H3 F2 N S -","- C7 H3 F2 N S -","- C56 H24 F16 N8 S8 -","8","2","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.072","0.0446","","","0.1028","0.1131","","","","","","0.972","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4517970","7.868","0.0008","7.3367","0.0005","16.4544","0.0017","90","","99","0.008","90","","938.14","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F2 N O Se -","- C9 H5 F2 N O Se -","- C36 H20 F8 N4 O4 Se4 -","4","1","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.0519","0.0457","","","0.1209","0.1247","","","","","","1.152","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4517971","7.3939","0.0014","14.805","0.003","6.9469","0.0012","90","","115.779","0.013","90","","684.8","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H3 F2 N S -","- C7 H3 F2 N S -","- C28 H12 F8 N4 S4 -","4","0.5","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.0439","0.0399","","","0.1106","0.113","","","","","","1.179","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4517972","6.834","0.0013","7.0649","0.0012","8.086","0.0014","71.016","0.013","79.716","0.014","68.033","0.013","341.65","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 F2 N S -","- C7 H3 F2 N S -","- C14 H6 F4 N2 S2 -","2","1","","Werner, Philipp; Wächter, Tobias; Asyuda, Andika; Wiesner, Adrian; Kind, Martin; Bolte, Michael; Weinhardt, Lothar; Terfort, Andreas; Zharnikov, Michael","Electron Transfer Dynamics and Structural Effects in Benzonitrile Monolayers with Tuned Dipole Moments by Differently Positioned Fluorine Atoms.","ACS applied materials & interfaces","2020","12","35","39859","39869","10.1021/acsami.0c10513","","","0.71073","MoKα","","0.0324","0.0303","","","0.084","0.0852","","","","","","1.109","","","","has coordinates","256985","2020-10-21","18:00:00",""
"4518013","7.301","0.005","20.365","0.015","24.831","0.018","90","","90","","90","","3692","5","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","- C96 H56 Co4 N48 O32 -","4","0.5","","Li, Yong-Zhi; Wang, Gang-Ding; Shi, Wen-Juan; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Efficient C<sub>2</sub>H<i> <sub>n</sub> </i> Hydrocarbons and VOC Adsorption and Separation in an MOF with Lewis Basic and Acidic Decorated Active Sites.","ACS applied materials & interfaces","2020","12","37","41785","41793","10.1021/acsami.0c12992","","","0.71073","MoKα","","0.1065","0.0574","","","0.1448","0.172","","","","","","1","","","","has coordinates","256980","2020-10-21","18:00:00",""
"4518042","8.8921","0.0013","8.8921","0.0013","12.604","0.003","90","","90","","90","","996.6","0.3","293","","293","","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.25","","Gao, Lili; Li, Xiaotong; Liu, Yan; Fang, Junjie; Huang, Sheng; Spanopoulos, Ioannis; Li, Xiaolei; Wang, Yao; Chen, Lin; Yang, Guanjun; Kanatzidis, Mercouri G.","Incorporated Guanidinium Expands the CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Lattice and Enhances Photovoltaic Performance.","ACS applied materials & interfaces","2020","12","39","43885","43891","10.1021/acsami.0c14925","","x-ray","0.71359","X-ray","","0.1199","0.1091","","","0.126","0.1263","","","","7.55","7.55","7.05","","","","has coordinates","256982","2020-10-21","18:00:00",""
"4518043","8.8934","0.0013","8.8934","0.0013","12.671","0.003","90","","90","","90","","1002.2","0.3","293","","293","","","","","","","","","5","I 4 c m","I 4 -2c","108","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.25","","Gao, Lili; Li, Xiaotong; Liu, Yan; Fang, Junjie; Huang, Sheng; Spanopoulos, Ioannis; Li, Xiaolei; Wang, Yao; Chen, Lin; Yang, Guanjun; Kanatzidis, Mercouri G.","Incorporated Guanidinium Expands the CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Lattice and Enhances Photovoltaic Performance.","ACS applied materials & interfaces","2020","12","39","43885","43891","10.1021/acsami.0c14925","","x-ray","0.71073","MoKα","","0.0989","0.0904","","","0.1076","0.1084","","","","7.01","7.01","6.66","","","","has coordinates","256982","2020-10-21","18:00:00",""
"4518048","10.4971","0.0003","16.3367","0.0005","19.0994","0.0005","84.845","0.001","76.776","0.001","86.857","0.001","3173.59","0.16","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C88 H86 Cl8 Eu4 N8 O25 -","- C88 H86 Cl8 Eu4 N8 O25 -","- C88 H86 Cl8 Eu4 N8 O25 -","1","1","","Guo, Meng-Yue; Li, Peng; Yang, Shuai-Liang; Bu, Ran; Piao, Xian-Qing; Gao, En-Qing","Distinct and Selective Amine- and Anion-Responsive Behaviors of an Electron-Deficient and Anion-Exchangeable Metal-Organic Framework.","ACS applied materials & interfaces","2020","12","39","43958","43966","10.1021/acsami.0c14648","","","1.54178","CuKα","","0.0398","0.0377","","","0.0988","0.1006","","","","","","1.021","","","","has coordinates","256981","2020-10-21","18:00:00",""
"4518050","6.95686","0.00016","4.79577","0.00013","28.14","0.0007","90","","94.683","0.002","90","","935.71","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NBTA","","","- C24 H14 N2 S2 -","- C24 H14 N2 S2 -","- C48 H28 N4 S4 -","2","0.5","","Wan, Yuejuan; Deng, Jian; Wu, Wanling; Zhou, Jiadong; Niu, Quan; Li, Haoyuan; Yu, Huakang; Gu, Cheng; Ma, Yuguang","Efficient Organic Light-Emitting Transistors Based on High-Quality Ambipolar Single Crystals.","ACS applied materials & interfaces","2020","12","39","43976","43983","10.1021/acsami.0c12842","","x-ray","1.54184","CuKα","","0.0411","0.0403","","","0.1158","0.1165","","","","","","1.078","","","","has coordinates","256983","2020-10-21","18:00:00",""
"4518129","9.9434","0.0008","20.0627","0.0015","11.3209","0.001","90","","107.969","0.003","90","","2148.3","0.3","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 B2 Cl2 F4 N4 -","- C38 H32 B2 Cl2 F4 N4 -","- C76 H64 B4 Cl4 F8 N8 -","2","0.5","","Wu, Qinghua; Zhu, Yucheng; Fang, Xingbao; Hao, Xiangyu; Jiao, Lijuan; Hao, Erhong; Zhang, Weian","Conjugated BODIPY Oligomers with Controllable Near-Infrared Absorptions as Promising Phototheranostic Agents through Excited-State Intramolecular Rotations.","ACS applied materials & interfaces","2020","12","42","47208","47219","10.1021/acsami.0c11701","","","0.71073","MoKα","","0.08","0.0601","","","0.1663","0.185","","","","","","1.069","","","","has coordinates","258695","2020-11-04","01:14:47",""
"4518132","5.1496","0.0009","13.045","0.002","7.1182","0.0012","90","","110.335","0.004","90","","448.37","0.13","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F4 Li5 O8 S2 V -","- F4 Li5 O8 S2 V -","- F8 Li10 O16 S4 V2 -","2","0.5","","Vincent, Rebecca C.; Vishnoi, Pratap; Preefer, Molleigh B.; Shen, Jimmy-Xuan; Seeler, Fabian; Persson, Kristin A.; Seshadri, Ram","Li<sub>5</sub>VF<sub>4</sub>(SO<sub>4</sub>)<sub>2</sub>: A Prototype High-Voltage Li-Ion Cathode.","ACS applied materials & interfaces","2020","12","43","48662","48668","10.1021/acsami.0c14781","","","0.71073","MoKα","","0.0716","0.0508","","","0.1256","0.1384","","","","","","1.061","","","","has coordinates","258694","2020-11-04","01:14:37",""
"4518138","10.8529","0.0007","10.9058","0.0006","19.7841","0.0011","91.038","0.002","97.961","0.002","104.293","0.003","2243.9","0.2","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H13 Cl2 N4 O8 S2 Zn2 -","- C30 H13 Cl2 N4 O8 S2 Zn2 -","- C60 H26 Cl4 N8 O16 S4 Zn4 -","2","1","","Liu, Ting; Cui, Hui; Zhang, Xin; Zhang, Zhi-Yin; Lin, Rui-Biao; Liang, Bin; Zhang, Jian; Li, Dan; Chen, Banglin","Doubly Interpenetrated Metal-Organic Framework of pcu Topology for Selective Separation of Propylene from Propane.","ACS applied materials & interfaces","2020","12","43","48712","48717","10.1021/acsami.0c15517","","","0.7288","MoKa","","0.096","0.0632","","","0.1855","0.2186","","","","","","0.738","","","","has coordinates,has disorder","258693","2020-11-04","01:14:29",""
"4518314","36.195","0.002","22.3462","0.0015","23.7378","0.0013","90","","90","","90","","19200","2","100","2","100","2","","","","","","","","8","P b a n :2","-P 2ab 2b","50","","","","- C304 H296 Ag8 Au10 Cl2 N8 O8 P8 -","- C304 H296 Ag8 Au10 N8 P8 -","- C608 H592 Ag16 Au20 N16 P16 -","2","0.25","","Huang, Ya-Zi; Shi, Lin-Xi; Wang, Jin-Yun; Su, Hai-Feng; Chen, Zhong-Ning","Elaborate Design of Ag<sub>8</sub>Au<sub>10</sub> Cluster [2]Catenane Phosphors for High-Efficiency Light-Emitting Devices.","ACS applied materials & interfaces","2020","12","51","57264","57270","10.1021/acsami.0c17091","","","0.71073","MoKα","","0.1024","0.0612","","","0.178","0.2086","","","","","","1.03","","","","has coordinates","260408","2021-01-04","03:03:01",""
"4518315","51.903","0.005","12.622","0.0014","40.038","0.003","90","","100.445","0.003","90","","25795","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C204 H220 Ag4 Au6 N10 -","- C192 H188 Ag4 Au6 N8 -","- C768 H752 Ag16 Au24 N32 -","4","0.5","","Huang, Ya-Zi; Shi, Lin-Xi; Wang, Jin-Yun; Su, Hai-Feng; Chen, Zhong-Ning","Elaborate Design of Ag<sub>8</sub>Au<sub>10</sub> Cluster [2]Catenane Phosphors for High-Efficiency Light-Emitting Devices.","ACS applied materials & interfaces","2020","12","51","57264","57270","10.1021/acsami.0c17091","","","0.71073","MoKα","","0.1709","0.0896","","","0.2331","0.2668","","","","","","1.078","","","","has coordinates","260408","2021-01-04","03:03:02",""
"4518316","40.5381","0.0012","40.5381","0.0012","24.2982","0.0006","90","","90","","90","","39930.1","1.9","100","2","100","2","","","","","","","","8","P 4 2 2","P 4 2","89","","","","- C336 H304 Ag8 Au10 Cl2 N8 O8 P8 -","- C336 H304 Ag8 Au10 N8 P8 -","- C1344 H1216 Ag32 Au40 N32 P32 -","4","0.5","","Huang, Ya-Zi; Shi, Lin-Xi; Wang, Jin-Yun; Su, Hai-Feng; Chen, Zhong-Ning","Elaborate Design of Ag<sub>8</sub>Au<sub>10</sub> Cluster [2]Catenane Phosphors for High-Efficiency Light-Emitting Devices.","ACS applied materials & interfaces","2020","12","51","57264","57270","10.1021/acsami.0c17091","","","0.71073","MoKα","","0.0708","0.0529","","","0.1464","0.1572","","","","","","1.061","","","","has coordinates","260408","2021-01-04","03:03:02",""
"4518322","7.3824","0.0011","15.126","0.003","16.343","0.002","67.449","0.002","88.762","0.002","75.874","0.001","1629.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 I N4 O2 -","- C35 H35 I N4 O2 -","- C70 H70 I2 N8 O4 -","2","1","","Zhang, Cheng; Li, Hua; Lin, Shixin; Su, Yanna; Zhang, Qijian; Li, Yang; Wang, Kuaibing; Lu, Jianmei","Fabrication of One-Dimensional Organic Nanofiber Networks <i>via</i> Electrophoretic Deposition for a Nonvolatile Memory Device.","ACS applied materials & interfaces","2020","12","51","57254","57263","10.1021/acsami.0c09763","","","0.71073","MoKα","","0.0617","0.0472","","","0.1126","0.1218","","","","","","1.211","","","","has coordinates","260407","2021-01-04","03:02:35",""
"4518329","22.834","0.002","14.4584","0.0012","6.9109","0.0007","90","","95.391","0.004","90","","2271.5","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cu4 N64 O8 -","- C72 H64 Cu4 N56 O8 -","- C72 H64 Cu4 N56 O8 -","1","0.125","","Zhu, Ke; Fan, Ruiqing; Wu, Jingkun; Wang, Bowen; Lu, Haoyang; Zheng, Xubin; Sun, Tiancheng; Gai, Shuang; Zhou, Xuesong; Yang, Yulin","MOF-on-MOF Membrane with Cascading Functionality for Capturing Dichromate Ions and <i>p</i>-Arsanilic Acid Turn-On Sensing.","ACS applied materials & interfaces","2020","12","52","58239","58251","10.1021/acsami.0c17875","","","0.71073","MoKα","","0.0999","0.0695","","","0.1879","0.207","","","","","","1.221","","","","has coordinates","260409","2021-01-04","03:03:16",""
"4518397","26.454","0.015","26.454","0.015","26.454","0.015","90","","90","","90","","18513","18","296","2","296","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C72 H112 Cu12 Mo11 O130 P V -","- C72 H84 Cu12 Mo11.0004 O130 P V0.9996 -","- C288 H336 Cu48 Mo44.0016 O520 P4 V3.9984 -","4","0.0208333","","Du, Ze-Yu; Yu, Yan-Zhao; Hong, Ya-Lin; Li, Ning-Fang; Han, Ye-Min; Cao, Jia-Peng; Sun, Qi; Mei, Hua; Xu, Yan","Polyoxometalate-Based Metal-Organic Frameworks with Unique High-Nuclearity Water Clusters.","ACS applied materials & interfaces","2020","12","51","57174","57181","10.1021/acsami.0c18970","","","0.71073","MoKα","","0.0865","0.0602","","","0.1635","0.184","","","","","","1.069","","","","has coordinates,has disorder","260395","2021-01-03","19:48:48",""
"4518398","26.3605","0.0013","26.3605","0.0013","26.3605","0.0013","90","","90","","90","","18317.3","1.6","296","2","296","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C72 H151 Cu12 Mo10 O149 P V2 -","- C72 H122 Cu12 Mo9.9996 O149 P V2.0004 -","- C288 H488.002 Cu48 Mo39.9984 O596 P4 V8.0016 -","4","0.0208333","","Du, Ze-Yu; Yu, Yan-Zhao; Hong, Ya-Lin; Li, Ning-Fang; Han, Ye-Min; Cao, Jia-Peng; Sun, Qi; Mei, Hua; Xu, Yan","Polyoxometalate-Based Metal-Organic Frameworks with Unique High-Nuclearity Water Clusters.","ACS applied materials & interfaces","2020","12","51","57174","57181","10.1021/acsami.0c18970","","","0.71073","MoKα","","0.0774","0.0609","","","0.1868","0.206","","","","","","1.145","","","","has coordinates,has disorder","260396","2021-01-03","19:49:42",""
"4518399","8.5133","0.0002","11.0899","0.0003","14.6365","0.0004","100.002","0.001","92.027","0.001","101.991","0.001","1327.49","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N6 O8 -","- C27 H28 N6 O8 -","- C54 H56 N12 O16 -","2","1","","Dey, Ananta; Ramlal, Vishwakarma Ravikumar; Sankar, Selvasundarasekar Sam; Mahapatra, Tufan Singha; Suresh, Eringathodi; Kundu, Subrata; Mandal, Amal Kumar; Das, Amitava","Crystalline Free-Standing Two-Dimensional Zwitterionic Organic Nanosheets for Efficient Conduction of Lithium Ions.","ACS applied materials & interfaces","2020","12","52","58122","58131","10.1021/acsami.0c17683","","","0.71073","MoKα","","0.0658","0.0617","","","0.1715","0.176","","","","","","1.033","","","","has coordinates,has disorder","260397","2021-01-03","19:50:45",""
"4519296","11.9758","0.0004","27.1961","0.0009","12.687","0.0004","90","","107.865","0.002","90","","3932.9","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N2 Ni O5 P2 S -","- C42 H42 N2 Ni O5 P2 S -","- C168 H168 N8 Ni4 O20 P8 S4 -","4","1","","Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark","Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling","ACS Catalysis","2022","12","2","1475","1480","10.1021/acscatal.1c05386","","","1.54178","CuKα","","0.054","0.042","","","0.1083","0.1169","","","","","","1.032","","","","has coordinates","272466","2022-02-03","20:41:08",""
"4519297","10.7191","0.0003","12.009","0.0004","18.2064","0.0006","82.6614","0.0012","76.5673","0.0011","71.5732","0.001","2158.89","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H51 N Ni O5 P2 S -","- C48 H51 N Ni O5 P2 S -","- C96 H102 N2 Ni2 O10 P4 S2 -","2","1","","Simon, Connor M.; Dudra, Samantha L.; McGuire, Ryan T.; Ferguson, Michael J.; Johnson, Erin R.; Stradiotto, Mark","Identification of a Nitrenoid Reductive Elimination Pathway in Nickel-Catalyzed C–N Cross-Coupling","ACS Catalysis","2022","12","2","1475","1480","10.1021/acscatal.1c05386","","","1.54178","CuKα","","0.0371","0.0363","","","0.0923","0.0929","","","","","","1.026","","","","has coordinates","272467","2022-02-03","20:41:32",""
"4519298","13.07","0.002","14.339","0.003","21.988","0.004","90","","90","","90","","4120.8","1.3","123","","123.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 B2 Cl3 Cu F8 N4 O2 -","- C40 H40 B2 Cl3 Cu F8 N4 O2 -","- C160 H160 B8 Cl12 Cu4 F32 N16 O8 -","4","1","","Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki","A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles","ACS Catalysis","2022","12","2","1012","1017","10.1021/acscatal.1c05500","","","0.71075","MoKα","","0.0822","0.0659","","","0.1912","0.2042","","","","","","1.009","","","","has coordinates","272468","2022-02-03","20:41:56",""
"4519299","14.6616","0.0011","15.7092","0.0013","19.6198","0.0016","90","","90","","90","","4518.9","0.6","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Cu F6 N4 O10 S2 -","- C41 H48 Cu F6 N4 O10 S2 -","- C164 H192 Cu4 F24 N16 O40 S8 -","4","1","","Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki","A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles","ACS Catalysis","2022","12","2","1012","1017","10.1021/acscatal.1c05500","","","0.71075","MoKα","","0.0443","0.0411","","","0.1084","0.1099","","","","","","1.033","","","","has coordinates","272469","2022-02-03","20:42:19",""
"4519300","24.644","0.0014","7.0908","0.0004","20.5784","0.0013","90","","91.432","0.002","90","","3594.9","0.4","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N -","- C24 H21 N -","- C192 H168 N8 -","8","1","","Rodriguez, Jessica; Vesseur, David; Tabey, Alexis; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bourissou, Didier","Au(I)/Au(III) Catalytic Allylation Involving π-Allyl Au(III) Complexes","ACS Catalysis","2022","12","2","993","1003","10.1021/acscatal.1c04580","","","0.71073","MoKα","","0.0837","0.0643","","","0.1632","0.1761","","","","","","1.089","","","","has coordinates","272471","2022-02-03","20:42:45",""
"4519301","14.4266","0.0002","7.4071","0.0001","33.2757","0.0006","90","","96.682","0.001","90","","3531.66","0.09","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N2 O8 S2 -","- C40 H38 N2 O8 S2 -","- C160 H152 N8 O32 S8 -","4","1","","He, Qiyuan; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Palladium-Catalyzed Site-Selective [5 + 1] Annulation of Aromatic Amides with Alkenes: Acceleration of β-Hydride Elimination by Maleic Anhydride from Palladacycle","ACS Catalysis","2022","12","2","1595","1600","10.1021/acscatal.1c05675","","x-ray","1.54184","CuKα","","0.0434","0.04","","","0.1062","0.109","","","","","","1.052","","","","has coordinates","272472","2022-02-03","20:43:21",""
"4519302","27.2805","0.0005","9.5063","0.0002","18.9097","0.0003","90","","92.819","0.002","90","","4898.04","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C224 H296 N8 O24 -","8","1","","Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P.","Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds","ACS Catalysis","2022","12","2","1357","1363","10.1021/acscatal.1c05611","","x-ray","1.54184","CuKα","","0.0741","0.0663","","","0.1442","0.1482","","","","","","1.088","","","","has coordinates","272473","2022-02-03","20:43:47",""
"4519303","24.2586","0.0015","10.3745","0.0007","18.8315","0.0008","90","","93.703","0.004","90","","4729.4","0.5","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H36 N O3 -","- C25 H36 N O3 -","- C200 H288 N8 O24 -","8","1","","Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P.","Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds","ACS Catalysis","2022","12","2","1357","1363","10.1021/acscatal.1c05611","","x-ray","1.54184","CuKα","","0.1135","0.0947","","","0.1595","0.1672","","","","","","1.072","","","","has coordinates,has disorder","272474","2022-02-03","20:44:22",""
"4519304","4.86815","0.00014","8.4796","0.0003","15.0305","0.0004","75.423","0.002","85.496","0.002","84.466","0.002","596.74","0.03","140.01","0.1","140.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O -","- C16 H15 N O -","- C32 H30 N2 O2 -","2","1","","Leclair, Alexandre; Wang, Qian; Zhu, Jieping","Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine","ACS Catalysis","2022","12","2","1209","1215","10.1021/acscatal.1c05621","","x-ray","1.54184","CuKα","","0.0355","0.0346","","","0.0879","0.0887","","","","","","1.032","","","","has coordinates","272475","2022-02-03","20:44:45",""
"4519341","7.6105","0.0006","8.0429","0.0007","15.2788","0.0013","90","","101.481","0.002","90","","916.51","0.13","298","2","298.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 Fe N O6 -","- C21 H19 Fe N O6 -","- C42 H38 Fe2 N2 O12 -","2","1","","Lv, Xiaokang; Xu, Jun; Sun, Cuiyun; Su, Fen; Cai, Yuanlin; Jin, Zhichao; Chi, Yonggui Robin","Access to Planar Chiral Ferrocenes via N-Heterocyclic Carbene-Catalyzed Enantioselective Desymmetrization Reactions","ACS Catalysis","2022","12","4","2706","2713","10.1021/acscatal.2c00001","","","0.71073","MoKα","","0.0445","0.0386","","","0.0887","0.0912","","","","","","1.059","","","","has coordinates","273248","2022-03-03","20:26:27",""
"4519342","11.5366","0.0015","9.0589","0.0008","30.02","0.003","90","","98.806","0.01","90","","3100.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C128 H136 N24 O24 -","8","2","","Wang, Chang-An; Rahman, Md. Mahbubur; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Palladium-NHC (NHC = N-heterocyclic Carbene)-Catalyzed Suzuki–Miyaura Cross-Coupling of Alkyl Amides","ACS Catalysis","2022","12","4","2426","2433","10.1021/acscatal.1c05738","","","0.71073","MoKα","","0.2512","0.1168","","","0.2691","0.3405","","","","","","0.956","","","","has coordinates","273249","2022-03-03","20:27:06",""
"4519343","10.276","0.002","26.264","0.005","17.399","0.004","90","","103.191","0.005","90","","4571.9","1.6","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H52 Br Co N2 P2 -","- C55 H52 Br Co N2 P2 -","- C220 H208 Br4 Co4 N8 P8 -","4","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Minami, Yasunori; Sekiguchi, Akira; Iizuka, Kosuke; Nakajima, Yumiko","Radical Hydrodehalogenation of Aryl Halides with H2 Catalyzed by a Phenanthroline-Based PNNP Cobalt(I) Complex","ACS Catalysis","2022","12","4","2320","2329","10.1021/acscatal.1c04797","","","0.71075","MoKα","","0.1115","0.0725","","","0.2048","0.2226","","","","","","1.309","","","","has coordinates,has disorder","273250","2022-03-03","20:27:34",""
"4519376","20.3","0.0019","10.543","0.003","15.816","0.002","90","","109.54","0.0012","90","","3190","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H36 F6 N3 P Pd S -","- C32 H36 F6 N3 P Pd S -","- C128 H144 F24 N12 P4 Pd4 S4 -","4","1","","Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara","Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis","ACS Catalysis","2022","12","6","3430","3443","10.1021/acscatal.1c05326","","","0.7","synchrotron","","0.0239","0.0238","","","0.0649","0.0649","","","","","","1.094","","","","has coordinates","274232","2022-04-03","19:18:04",""
"4519377","12.153","0.0018","28.037","0.0007","21.613","0.0007","90","","94.356","0.014","90","","7343","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H41 Cl F6 N3 P Pd S -","- C34.5 H41 Cl F6 N3 P Pd S -","- C276 H328 Cl8 F48 N24 P8 Pd8 S8 -","8","2","","Alberoni, Chiara; D’Alterio, Massimo C.; Balducci, Gabriele; Immirzi, Barbara; Polentarutti, Maurizio; Pellecchia, Claudio; Milani, Barbara","Tunable “In-Chain” and “At the End of the Branches” Methyl Acrylate Incorporation in the Polyolefin Skeleton through Pd(II) Catalysis","ACS Catalysis","2022","12","6","3430","3443","10.1021/acscatal.1c05326","","","0.7","synchrotron","","0.0707","0.0668","","","0.2017","0.2058","","","","","","1.038","","","","has coordinates,has disorder","274233","2022-04-03","19:18:51",""
"4519378","12.9594","0.0006","9.2852","0.0005","14.7567","0.0009","90","","91.483","0.003","90","","1775.09","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Bi F3 N -","- C19 H21 Bi F3 N -","- C76 H84 Bi4 F12 N4 -","4","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0432","0.0291","","","0.0519","0.0554","","","","","","0.997","","","","has coordinates","274234","2022-04-03","19:19:17",""
"4519379","17.435","0.003","9.004","0.002","18.23","0.004","90","","90","","90","","2861.8","1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Bi F3 -","- C15 H14 Bi F3 -","- C120 H112 Bi8 F24 -","8","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0353","0.0248","","","0.0568","0.0612","","","","","","1.051","","","","has coordinates","274235","2022-04-03","19:19:48",""
"4519380","9.7284","0.0004","9.7063","0.0004","30.3122","0.0014","90","","90","","90","","2862.3","0.2","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Bi F3 -","- C16 H14 Bi F3 -","- C128 H112 Bi8 F24 -","8","1","","Louis-Goff, Thomas; Trinh, Huu Vinh; Chen, Eileen; Rheingold, Arnold L.; Ehm, Christian; Hyvl, Jakub","Stabilizing Effect of Pre-equilibria: A Trifluoromethyl Complex as a CF2 Reservoir in Catalytic Olefin Difluorocarbenation","ACS Catalysis","2022","12","6","3719","3730","10.1021/acscatal.1c05959","","x-ray","0.71073","MoKα","","0.0254","0.0211","","","0.038","0.0391","","","","","","1.151","","","","has coordinates","274236","2022-04-03","19:20:24",""
"4519381","6.1078","0.0007","23.368","0.003","12.0794","0.0013","90","","100.277","0.002","90","","1696.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W.","Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers","ACS Catalysis","2022","12","6","3651","3659","10.1021/acscatal.2c00660","","","0.71073","MoKα","","0.0668","0.0571","","","0.144","0.1485","","","","","","1.142","","","","has coordinates,has disorder","274237","2022-04-03","19:20:50",""
"4519382","10.2627","0.0002","13.449","0.0003","14.5521","0.0003","115.316","0.002","101.172","0.0017","101.362","0.0019","1690.21","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","2","","Xue, Sijing; Cristòfol, Àlex; Limburg, Bart; Zeng, Qian; Kleij, Arjan W.","Dual Cobalt/Organophotoredox Catalysis for Diastereo- and Regioselective 1,2-Difunctionalization of 1,3-Diene Surrogates Creating Quaternary Carbon Centers","ACS Catalysis","2022","12","6","3651","3659","10.1021/acscatal.2c00660","","","0.71075","MoKα","","0.048","0.0423","","","0.1499","0.1543","","","","","","1.267","","","","has coordinates","274238","2022-04-03","19:21:15",""
"4519383","16.5365","0.0009","15.9821","0.0006","12.9995","0.0006","90","","97.271","0.005","90","","3408","0.3","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N3 Ni O5 P -","- C33 H50 N3 Ni O5 P -","- C132 H200 N12 Ni4 O20 P4 -","4","1","","Takahashi, Kohei; Sakurazawa, Yuji; Iwai, Asaki; Iwasawa, Nobuharu","Catalytic Synthesis of a Methylmalonate Salt from Ethylene and Carbon Dioxide through Photoinduced Activation and Photoredox-Catalyzed Reduction of Nickelalactones","ACS Catalysis","2022","12","7","3776","3781","10.1021/acscatal.2c01053","","x-ray","1.54184","CuKα","","0.0849","0.0608","","","0.1585","0.1731","","","","","","1.075","","","","has coordinates","274239","2022-04-03","19:21:41",""
"4519384","8.7636","0.0007","13.6876","0.0012","28.412","0.002","86.489","0.003","89.678","0.003","77.831","0.003","3325.2","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H49 Au F6 P Sb -","- C31 H49 Au F6 P Sb -","- C124 H196 Au4 F24 P4 Sb4 -","4","2","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0832","0.0576","","","0.1175","0.1311","","","","","","1.095","","","","has coordinates","274240","2022-04-03","19:22:08",""
"4519385","15.519","0.0007","15.638","0.0008","17.4595","0.001","68.369","0.002","80.53","0.002","65.864","0.002","3594","0.3","193","","193","","","","","","","","","8","P -1","-P 1","2","","","","- C63 H81 Au F3 N2 O P Sb0.5 -","- C63 H81 Au F3 N2 O P Sb0.5 -","- C126 H162 Au2 F6 N4 O2 P2 Sb -","2","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0824","0.0575","","","0.1475","0.168","","","","","","1.097","","","","has coordinates,has disorder","274241","2022-04-03","19:22:40",""
"4519386","12.6694","0.0002","18.1472","0.0004","18.894","0.0004","90","","90","","90","","4344","0.15","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H67 Au Cl P -","- C46 H67 Au Cl P -","- C184 H268 Au4 Cl4 P4 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0267","0.0217","","","0.0393","0.0404","","","","","","0.862","","","","has coordinates","274242","2022-04-03","19:23:06",""
"4519387","33.253","0.003","13.3849","0.0011","26.02","0.002","90","","93.079","0.003","90","","11564.5","1.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H82 Au Cl4 F6 P Sb -","- C53 H82 Au Cl4 F6 P Sb -","- C424 H656 Au8 Cl32 F48 P8 Sb8 -","8","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0686","0.0503","","","0.1252","0.1425","","","","","","1.026","","","","has coordinates,has disorder","274243","2022-04-03","19:23:40",""
"4519388","13.714","0.005","51.58","0.02","18.755","0.009","90","","99.2","0.018","90","","13096","9","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H159 Au2 F12 P2 Sb2 -","- C126 H162 Au2 F12 P2 Sb2 -","- C504 H648 Au8 F48 P8 Sb8 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.1146","0.0964","","","0.2154","0.2302","","","","","","1.007","","","","has coordinates,has disorder","274244","2022-04-03","19:24:23",""
"4519389","54.233","0.008","14.371","0.002","32.268","0.005","90","","102.216","0.009","90","","24580","6","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C120 H165 Au3 Cl3 P3 -","- C120 H165 Au3 Cl3 P3 -","- C960 H1320 Au24 Cl24 P24 -","8","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.1113","0.0604","","","0.1473","0.179","","","","","","1.057","","","","has coordinates","274245","2022-04-03","19:25:09",""
"4519390","11.3949","0.0008","16.7262","0.0009","18.567","0.0012","90","","104.78","0.003","90","","3421.7","0.4","193","","193","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 Au F6 P Sb -","- C32 H39 Au F6 P Sb -","- C128 H156 Au4 F24 P4 Sb4 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0662","0.0385","","","0.0782","0.0921","","","","","","1.032","","","","has coordinates","274246","2022-04-03","19:25:38",""
"4519391","15.3509","0.0009","15.473","0.0009","19.0096","0.001","95.2651","0.0017","103.141","0.0017","117.913","0.0018","3781","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H90 Au F6 N P Sb -","- C66 H90 Au F6 N P Sb -","- C132 H180 Au2 F12 N2 P2 Sb2 -","2","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0574","0.0366","","","0.0815","0.0922","","","","","","1.04","","","","has coordinates,has disorder","274247","2022-04-03","19:26:06",""
"4519392","10.7552","0.0003","11.5789","0.0003","21.0514","0.0005","103.464","0.001","93.118","0.001","103.01","0.001","2468.27","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H59 Cl2 Co N4 O2 Zn -","- C53 H59 Cl2 Co N4 O2 Zn -","- C106 H118 Cl4 Co2 N8 O4 Zn2 -","2","1","","de Vries, Folkert; Otten, Edwin","Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand","ACS Catalysis","2022","12","7","4125","4130","10.1021/acscatal.1c05689","","","1.54178","CuKα","","0.0404","0.0376","","","0.0964","0.0984","","","","","","1.038","","","","has coordinates","274248","2022-04-03","19:26:39",""
"4519393","9.1508","0.0003","10.8692","0.0004","14.2352","0.0005","80.73","0.001","73.248","0.001","67.252","0.001","1248.34","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H52 N8 O2 Zn2 -","- C59 H52 N8 O2 Zn2 -","- C59 H52 N8 O2 Zn2 -","1","0.5","","de Vries, Folkert; Otten, Edwin","Reversible On/Off Switching of Lactide Cyclopolymerization with a Redox-Active Formazanate Ligand","ACS Catalysis","2022","12","7","4125","4130","10.1021/acscatal.1c05689","","","1.54178","CuKα","","0.0283","0.027","","","0.0672","0.0681","","","","","","1.043","","","","has coordinates,has disorder","274249","2022-04-03","19:26:59",""
"5000005","5.422","","5.422","","56.275","","90","","90","","120","","1432.73","","","","","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C6 H12 N2 O4 S2 -","- C12 H24 N4 O8 S4 -","- C72 H144 N24 O48 S24 -","6","0.5","","Oughton, B. M.; Harrison, P. M.","The crystal structure of hexagonal L-cystine","Acta Crystallographica","1959","12","5","396","404","10.1107/S0365110X59001177","","","","","","","","","","","","","","","","","","","","","has coordinates","175294","2020-10-21","18:00:00",""
"5000114","9.619","0.0005","9.619","0.0005","3.1499","0.0003","90","","90","","120","","252.4","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","Nickel sulfide - $-beta","Millerite","- Ni S -","- Ni S -","- Ni9 S9 -","9","0.5","","Rajamani, V; Prewitt, C T","The crystal structure of millerite","Canadian Mineralogist","1974","12","","253","257","","","","","","","0.014","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"6000035","12.998","0.002","7.5014","0.0003","15.156","0.003","90","","105.8","0.03","90","","1420.8","0.7","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cs2 O15 Si6 Ti -","- Cs2 O15 Si6 Ti -","- Cs8 O60 Si24 Ti4 -","4","1","","Nyman, M.; Bonhomme, F.; Teter, D. M.; Maxwell, R. S.; Gu, B. X.; Wang, L. M.; Ewing, R. C.; Nenoff, T. M.","Integrated experimental and computational methods for structure determination and characterization of a new, highly stable cesium silicotitanate phase, Cs~2~TiSi~6~O~15~ (SNL-A)","Chemistry of Materials","2000","12","","3449","3458","10.1021/cm000259g","","","","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000060","19.943","","3.2895","","6.2896","","90","","95.746","","90","","410.54","","","","","","","","","","","","","4","C 1 2/m 1","","","","","","- C8 H6 Co2 O6 -","","","","","","Huang, Z. L.; Drillon, M.; Masciocchi, N.; Sironi, A.; Zhao, J. T.; Rabu, P.; Panissod, P.","Ab-initio xrpd crystal structure and giant hysteretic effect (H-c=5.9 T) of a new hybrid terephthalate-based cobalt(II) magnet","Chemistry of Materials","2000","12","","2805","2812","10.1021/cm000386c","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000074","9.537","0.001","29.622","0.003","8.9398","0.0009","90","","121.19","0.04","90","","2160.5","0.3","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 O22 Pb2 Zr -","- C8 H12 O22 Pb2 Zr -","- C32 H48 O88 Pb8 Zr4 -","4","0.5","","Boudaren, C.; Auffrédic, J. P.; Louër, M.; Louër, D.","Synthesis, structure determination from powder diffraction data, and thermal behavior of lead zirconium oaxalate hydrate Pb2Zr(C2O4)(4)center dot nH(2)O (3 < n < 9)","Chemistry of Materials","2000","12","","2324","2333","10.1021/cm001063j","","","","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000102","23.1962","","7.2381","","6.9652","","90","","90","","90","","1169.43","","","","","","","","","","","","","6","C m m m","","","","","","- H25 Na O51 Si12 Sr4 Ti5 -","","","","","","Braunbarth, C.; Hillhouse, H. W.; Tsapatsis, M.; Burton, A.; Lobo, R. F.; Jacubinas, R. M.; Kuznicki, S. M.","Structure of strontium ion-exchanged ETS-4 microporous molecular sieves","Chemistry of Materials","2000","12","","1857","1865","10.1021/cm9907211","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000112","8.6826","","13.8828","","16.2484","","90","","90","","90","","1958.56","","","","","","","","","","","","","5","P n m a","","","","","","- Ga10 H38 O83 Si22 Sr5 -","","","","","","Lee, Y. J.; Kim, S. J.; Schoonen, M. A. A.; Parise, J. B.","Structural and Sr2+ ion exchange studies of gallosilicate TsG-1","Chemistry of Materials","2000","12","","1597","1603","10.1021/cm990789g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000505","8.642","","19.346","","7.114","","90","","90","","90","","1189.38","","","","","","","","","","","","","7","P b c m","","","","","","- C3 H14 F Ga N2 O8 P2 -","","","","","","Walton, R. I.; Millange, F.; O'hare, D.; Paulet, C.; Loiseau, T.; Ferey, G.","Synthesis, structures, and reactivity of two compounds containing the tancoite-like [Ga(HPO4)(2)F](2-)(infinity) chain","Chemistry of Materials","2000","12","","1977","1984","10.1021/cm000195+","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000516","12.9207","","6.44","","10.4147","","90","","90","","90","","866.6","","303","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F Ga H4 N O4 P -","- F2 Ga2 N2 O8 P2 -","- F8 Ga8 N8 O32 P8 -","4","1","","Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G.","Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type","Chemistry of Materials","2000","12","5","1393","1399","10.1021/cm991177z","","","","","","","","","","","","","","","","","","","","","has coordinates","132296","2020-10-21","18:00:00",""
"6000517","12.4967","","7.7015","","9.8463","","90","","90","","90","","947.64","","303","2","","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- F3 Ga2 H9 N2 O8 P2 -","- F3 Ga2 N2 O8 P2 -","- F12 Ga8 N8 O32 P8 -","4","1","","Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G.","Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type","Chemistry of Materials","2000","12","5","1393","1399","10.1021/cm991177z","","","","","","","","","","","","","","","","","","","","","has coordinates","132296","2020-10-21","18:00:00",""
"6000561","14.001","","14.001","","14.001","","90","","90","","90","","2744.59","","","","","","","","","","","","","5","I 2 3","","","","","","- As24 Be24 D4 O98.3 Rb24 -","","","","","","Parise, J. B.; Corbin, D. R.; Gier, T. E.; Harlow, R. L.; Abrams, L.; Vondreele, R. B.","Flexibility of the rho framework - a comparison of the Rb-exchanged zeolite and the novel composition RB24BE24AS24O96.3.2 D2O","Zeolites","1992","12","","360","368","10.1016/0144-2449(92)90031-J","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000562","14.374","","14.374","","14.374","","90","","90","","90","","2969.84","","","","","","","","","","","","","4","I -4 3 m","","","","","","- Al10 O96 Rb10 Si38 -","","","","","","Parise, J. B.; Corbin, D. R.; Gier, T. E.; Harlow, R. L.; Abrams, L.; Vondreele, R. B.","Flexibility of the rho framework - a comparison of the Rb-exchanged zeolite and the novel composition RB24BE24AS24O96.3.2 D2O","Zeolites","1992","12","","360","368","10.1016/0144-2449(92)90031-J","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000783","17.459","","6.8451","","8.1438","","90","","101.247","","90","","954.56","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- O12 P3 Pb0.5 Th2 -","","","","","","Elyacoubi, A.; Brochu, R.; Serghini, A.; Louer, M.; Talbi, M. A.; Louer, D.","Synthesis and structural study from X-ray powder diffraction of Pb0.5Th2(PO4)(3)","Powder Diffraction","1997","12","","76","80","10.1017/S0885715600009465","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7153554","7.607","0.0015","16.348","0.003","9.994","0.002","90","","110.8","0.03","90","","1161.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Guo, Jiajia; Sun, Xiaoyang; Yu, Shouyun","Diastereoselective synthesis of epoxide-fused benzoquinolizidine derivatives using intramolecular domino aza-Michael addition/Darzens reaction.","Organic & biomolecular chemistry","2014","12","2","265","268","10.1039/c3ob42068j","","","0.71073","MoKα","","0.1212","0.0664","","","0.1603","0.1895","","","","","","1","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153555","9.846","0.0005","26.3882","0.0014","7.7624","0.0004","90","","105.68","0.001","90","","1941.76","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N3 -","- C26 H19 N3 -","- C104 H76 N12 -","4","1","","Zhou, Wang; Yang, Youqing; Wang, Zhiwei; Deng, Guo-Jun","Rhodium-catalyzed intermolecular hydroarylation of internal alkynes with N-1-phenylbenzotriazoles.","Organic & biomolecular chemistry","2014","12","2","251","254","10.1039/c3ob42007h","","","0.71073","MoKα","","0.0396","0.0379","","","0.1069","0.108","","","","","","1.028","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153556","14.5336","0.0005","6.3146","0.0002","15.7054","0.0006","90","","108.49","0.002","90","","1366.94","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3736-D4","","","- C17 H11 Br N2 O -","- C17 H11 Br N2 O -","- C68 H44 Br4 N8 O4 -","4","1","","Zhang, Xiaofei; He, Qian; Xiang, Haoyue; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products.","Organic & biomolecular chemistry","2014","12","2","355","361","10.1039/c3ob41921e","","","0.71073","MoKα","","0.0546","0.0328","","","0.0729","0.0809","","","","","","1.021","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153557","4.8242","0.0017","12.372","0.004","12.693","0.005","104.81","0.02","95.57","0.02","90.93","0.02","728.3","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C38 H32 N4 -","2","1","","Zhang, Xiaofei; He, Qian; Xiang, Haoyue; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Rapid access to α-carbolines via a one-pot tandem reaction of α,β-unsaturated ketones with 2-nitrophenylacetonitrile and the anti-proliferative activities of the products.","Organic & biomolecular chemistry","2014","12","2","355","361","10.1039/c3ob41921e","","","0.71073","MoKα","","0.0681","0.0449","","","0.1149","0.1271","","","","","","1.186","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153558","25.6423","0.0013","6.0433","0.0003","16.8338","0.0009","90","","108.536","0.002","90","","2473.3","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H21 O3.5 -","- C12 H21 O3.5 -","- C96 H168 O28 -","8","1","","Duplan, Vincent; Serba, Christelle; Garcia, Jose; Valot, Gaëlle; Barluenga, Sofia; Hoerlé, Mélanie; Cuendet, Muriel; Winssinger, Nicolas","Synthesis of sesquiterpene-inspired derivatives designed for covalent binding and their inhibition of the NF-κB pathway.","Organic & biomolecular chemistry","2014","12","2","370","375","10.1039/c3ob42049c","","","0.71073","MoKα","","0.0565","0.0386","","","0.0952","0.1034","","","","","","1.011","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7153559","10.3743","0.0016","12.098","0.002","11.1576","0.0018","90","","105.03","0.017","90","","1352.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H33 N4 O2 -","- C30 H33 N4 O2 -","- C60 H66 N8 O4 -","2","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.0885","0.048","","","0.0954","0.105","","","","","","0.894","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153560","8.37","0.02","10.24","0.03","10.52","0.03","95.85","0.05","110.15","0.04","112.75","0.04","751","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.2386","0.1007","","","0.2831","0.3458","","","","","","1.271","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153561","8.4855","0.0012","10.2487","0.0012","11.0122","0.0013","87.534","0.01","76.273","0.011","85.501","0.011","927.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O2 -","- C20 H23 N3 O2 -","- C40 H46 N6 O4 -","2","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","5,10-Diacylcalix[4]pyrroles: synthesis and anion binding studies.","Organic & biomolecular chemistry","2014","12","2","278","285","10.1039/c3ob41966e","","","0.71073","MoKα","","0.3197","0.0899","","","0.1314","0.2119","","","","","","0.941","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153562","24.9384","0.0019","12.5149","0.0009","26.26","0.002","90","","111.146","0.002","90","","7643.9","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C153 H154 Cl14 Ir4 N8 O12 -","- C153 H154 Cl14 Ir4 N8 O12 -","- C306 H308 Cl28 Ir8 N16 O24 -","2","0.5","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.118","0.0739","","","0.189","0.2092","","","","","","1.002","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153563","32.2169","0.001","32.2169","0.001","20.2356","0.0013","90","","90","","120","","18189.2","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C37 H36 Cl N2 O3 Rh -","- C37 H36 Cl N2 O3 Rh -","- C666 H648 Cl18 N36 O54 Rh18 -","18","1","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.1191","0.0472","","","0.0838","0.0877","","","","","","0.994","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153564","19.8758","0.0013","12.678","0.0009","23.5977","0.0016","90","","94.222","0.001","90","","5930.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 Cl4 Ir2 N3 O2 -","- C52 H53 Cl4 Ir2 N3 O2 -","- C208 H212 Cl16 Ir8 N12 O8 -","4","1","","Muntaner, Jaime G.; Casarrubios, Luis; Sierra, Miguel A.","Synthesis of new bioorganometallic Ir- and Rh-complexes having β-lactam containing ligands.","Organic & biomolecular chemistry","2014","12","2","286","297","10.1039/c3ob41354c","","","0.71073","MoKα","","0.0789","0.0487","","","0.1308","0.1426","","","","","","0.999","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153565","23.252","0.003","8.8725","0.001","16.3422","0.0018","90","","90","","90","","3371.5","0.7","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H37 Cl3 N2 S -","- C37 H37 Cl3 N2 S -","- C148 H148 Cl12 N8 S4 -","4","1","","Lash, Timothy D.; El-Beck, Jessica A; Ferrence, Gregory M.","Synthesis, structural characterization and reactivity of heteroazuliporphyrins.","Organic & biomolecular chemistry","2014","12","2","316","329","10.1039/c3ob41992d","","x-ray","0.71073","MoKα","","0.0861","0.0537","","","","0.1317","","","","","","1.017","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153566","8.1545","0.0007","26.714","0.002","15.641","0.0014","90","","104.854","0.001","90","","3293.4","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Cl3 N2 Se -","- C37 H37 Cl3 N2 Se -","- C148 H148 Cl12 N8 Se4 -","4","1","","Lash, Timothy D.; El-Beck, Jessica A; Ferrence, Gregory M.","Synthesis, structural characterization and reactivity of heteroazuliporphyrins.","Organic & biomolecular chemistry","2014","12","2","316","329","10.1039/c3ob41992d","","x-ray","0.71073","MoKα","","0.0639","0.0438","","","","0.1089","","","","","","1.019","","","","has coordinates","192777","2020-10-21","18:00:00",""
"7153567","12.8346","0.0013","7.4175","0.0009","17.3968","0.0016","90","","90","","90","","1656.2","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Br N2 O2 -","- C7 H5 Br N2 O2 -","- C56 H40 Br8 N16 O16 -","8","1","","Lone, Ali Mohd; Bhat, Bilal Ahmad","Metal free stereoselective synthesis of functionalized enamides.","Organic & biomolecular chemistry","2014","12","2","242","246","10.1039/c3ob41847b","","","0.71073","MoKα","","0.0754","0.0437","","","0.0936","0.1071","","","","","","1.051","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153568","12.2611","0.0011","18.2064","0.0013","17.7004","0.0019","90","","100.734","0.004","90","","3882.1","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cl2 N10 O13 -","- C36 H38 Cl2 N10 O13 -","- C144 H152 Cl8 N40 O52 -","4","0.5","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0725","0.0444","","","0.1005","0.1131","","","","","","1.017","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153569","10.6377","0.0004","12.7007","0.0005","15.6556","0.0007","96.879","0.002","90.055","0.002","106.439","0.002","2012.75","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N12 O9 -","- C38 H48 N12 O9 -","- C76 H96 N24 O18 -","2","1","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0854","0.0642","","","0.1894","0.2073","","","","","","1.04","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153570","11.5804","0.0007","14.7466","0.0009","29.1684","0.0019","90","","90.758","0.002","90","","4980.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H66 Cl6 N12 -","- C44 H66 Cl6 N12 -","- C176 H264 Cl24 N48 -","4","1","","Caio, João M; Esteves, Teresa; Carvalho, Silvia; Moiteiro, Cristina; Félix, Vítor","Azacalix[2]arene[2]triazine-based receptors bearing carboxymethyl pendant arms on nitrogen bridges: synthesis and evaluation of their coordination ability towards copper(II).","Organic & biomolecular chemistry","2014","12","4","589","599","10.1039/c3ob42047g","","x-ray","0.71073","MoKα","","0.0946","0.0579","","","0.167","0.2046","","","","","","1.054","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153571","9.2088","0.0003","11.1545","0.0003","13.3119","0.0005","90","","106.479","0.003","90","","1311.23","0.08","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H26 Br N O5 -","- C29 H26 Br N O5 -","- C58 H52 Br2 N2 O10 -","2","1","","Ramachary, Dhevalapally B.; Prasad, M. Shiva; Laxmi, S. Vijaya; Madhavachary, R.","Asymmetric synthesis of drug-like spiro[chroman-3,3'-indolin]-2'-ones through aminal-catalysis.","Organic & biomolecular chemistry","2014","12","4","574","580","10.1039/c3ob42100g","","","1.54184","CuKα","","0.0444","0.0404","","","0.1073","0.1134","","","","","","0.819","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153572","37.981","0.008","3.8785","0.0008","11.276","0.002","90","","97.157","0.003","90","","1648.1","0.6","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 F2 O -","- C10 H8 F2 O -","- C80 H64 F16 O8 -","8","1","","Zhang, He; Lin, Jin-Hong; Xiao, Ji-Chang; Gu, Yu-Cheng","Rh-catalyzed allylic C-F bond activation: the stereoselective synthesis of trisubstituted monofluoroalkenes and a mechanism study.","Organic & biomolecular chemistry","2014","12","4","581","588","10.1039/c3ob42038h","","","0.71073","MoKα","","0.0601","0.0442","","","0.135","0.1708","","","","","","1.058","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153573","9.6284","0.0004","11.7266","0.0006","19.1651","0.0009","75.073","0.005","77.631","0.004","87.141","0.004","2042.31","0.17","293.83","0.1","293.83","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 I N O -","- C26 H18 I N O -","- C104 H72 I4 N4 O4 -","4","2","","Wang, Li-Jing; Zhu, Hai-Tao; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic ipso-iodocyclization of N-benzyl-N-(1-naphthyl)propiolamides: synthesis of complex polycyclic lactams.","Organic & biomolecular chemistry","2014","12","4","643","650","10.1039/c3ob42020e","","","0.7107","MoKα","","0.0559","0.0393","","","0.0713","0.081","","","","","","1.035","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153574","10.5172","0.0008","17.5717","0.0006","20.0963","0.0011","90","","90","","90","","3713.9","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 I N O -","- C22 H16 I N O -","- C176 H128 I8 N8 O8 -","8","1","","Wang, Li-Jing; Zhu, Hai-Tao; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Electrophilic ipso-iodocyclization of N-benzyl-N-(1-naphthyl)propiolamides: synthesis of complex polycyclic lactams.","Organic & biomolecular chemistry","2014","12","4","643","650","10.1039/c3ob42020e","","","0.7107","MoKα","","0.1465","0.0741","","","0.1273","0.1546","","","","","","1.106","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153575","9.569","0.0002","8.0724","0.0002","17.2904","0.0003","90","","96.872","0.002","90","","1326","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 O8 -","- C28 H38 O8 -","- C56 H76 O16 -","2","0.5","","Buccini, Marco; Punch, Kathryn A.; Kaskow, Belinda; Flematti, Gavin R.; Skelton, Brian W.; Abraham, Lawrence J.; Piggott, Matthew J.","Ethynylbenzenoid metabolites of Antrodia camphorata: synthesis and inhibition of TNF expression.","Organic & biomolecular chemistry","2014","12","7","1100","1113","10.1039/c3ob42333f","","","0.71073","MoKα","","0.0854","0.051","","","0.1371","0.1514","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153576","7.3517","0.0019","18.103","0.005","10.012","0.003","90","","96.47","0.02","90","","1324","0.6","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H32 O9 -","- C29 H32 O9 -","- C58 H64 O18 -","2","1","","Buccini, Marco; Punch, Kathryn A.; Kaskow, Belinda; Flematti, Gavin R.; Skelton, Brian W.; Abraham, Lawrence J.; Piggott, Matthew J.","Ethynylbenzenoid metabolites of Antrodia camphorata: synthesis and inhibition of TNF expression.","Organic & biomolecular chemistry","2014","12","7","1100","1113","10.1039/c3ob42333f","","","0.71073","MoKα","","0.1602","0.1458","","","0.3562","0.3683","","","","","","1.412","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153577","8.987","0.002","13.788","0.003","15.365","0.004","90","","103.787","0.005","90","","1849.1","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N4 O4 S2 -","- C20 H12 N4 O4 S2 -","- C80 H48 N16 O16 S8 -","4","1","","Pal, Suman; Hatai, Joydev; Samanta, Mousumi; Shaurya, Alok; Bandyopadhyay, Subhajit","A highly selective chemodosimeter for fast detection and intracellular imaging of Hg(2+) ions based on a dithiocarbamate-isothiocyanate conversion in aqueous ethanol.","Organic & biomolecular chemistry","2014","12","7","1072","1078","10.1039/c3ob42108b","","","0.71073","MoKα","","0.0654","0.0439","","","0.0989","0.1096","","","","","","1.035","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153578","8.9744","0.0011","18.096","0.002","24.959","0.003","97.516","0.003","99.857","0.003","93.864","0.002","3942.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 N4 O5 -","- C46 H46 N4 O5 -","- C184 H184 N16 O20 -","4","2","","Mei, Liang-Yong; Tang, Xiang-Ying; Shi, Min","Rhodium-catalyzed three-component reaction of 3-diazooxindoles with indoles and isatin-derived ketimines: a facile and versatile approach to functionalized 3,3',3''-trisindoles.","Organic & biomolecular chemistry","2014","12","7","1149","1156","10.1039/c3ob42283f","","","0.71073","MoKα","","0.1131","0.067","","","0.1805","0.212","","","","","","1.02","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153579","10.4678","0.001","11.7231","0.0011","11.8283","0.0012","69.655","0.002","86.031","0.002","80.188","0.002","1341","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 F6 N2 -","- C32 H24 F6 N2 -","- C64 H48 F12 N4 -","2","1","","Zhang, Lisi; Li, Yajun; Zhang, Li; Wu, Yongming","Vicinal bis(trifluoroacetimidoyl chloride)s: novel building blocks for the synthesis of benzo-fused eight-membered rings via [2 + 2 + 2] cycloadditions.","Organic & biomolecular chemistry","2014","12","7","1040","1043","10.1039/c3ob42224k","","","0.71073","MoKα","","0.0588","0.0491","","","0.1349","0.1455","","","","","","1.047","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153580","9.567","0.0009","15.054","0.0015","9.7671","0.0013","90","","119.292","0.002","90","","1226.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl2 Mn N5 O -","- C24 H31 Cl2 Mn N5 O -","- C48 H62 Cl4 Mn2 N10 O2 -","2","1","","Ilyashenko, Gennadiy; De Faveri, Giorgio; Follier, Thomas; Al-Safadi, Rawan; Motevalli, Majid; Watkinson, Michael","Catalytic and mechanistic studies into the epoxidation of styrenes using manganese complexes of structurally similar polyamine ligands.","Organic & biomolecular chemistry","2014","12","7","1124","1134","10.1039/c3ob42274g","","","0.71073","MoKα","","0.0392","0.0309","","","0.0524","0.0545","","","","","","0.991","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7153581","9.293","0.003","9.873","0.003","10.265","0.003","90","","98.175","0.016","90","","932.2","0.5","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O5 -","- C18 H17 F3 N2 O5 -","- C36 H34 F6 N4 O10 -","2","1","","Liu, Feng-Lei; Chen, Jia-Rong; Feng, Bin; Hu, Xiao-Qiang; Ye, Li-Hua; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantioselective organocatalytic oxa-Michael addition of oximes to β-CF3-β-disubstituted nitroalkenes: efficient synthesis of β-amino-α-trifluoromethyl alcohols.","Organic & biomolecular chemistry","2014","12","7","1057","1060","10.1039/c3ob42329h","","","1.54178","CuKα","","0.2612","0.2246","","","0.5764","0.621","","","","","","2.269","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153582","9.286","0.002","11.358","0.003","11.827","0.003","90","","98.495","0.004","90","","1233.7","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","8-Acetyl-1-aza-7-phenylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0637","0.0552","","","0.1225","0.1272","","","","","","1.145","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153583","9.1844","0.001","9.6681","0.0011","10.4799","0.0012","81.098","0.002","65.775","0.002","79.753","0.002","831.62","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","8-Acetyl-1-aza-9-(3-oxobutyl)-7-phenylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0932","0.0887","","","0.186","0.1889","","","","","","1.264","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153584","10.5099","0.0015","17.731","0.003","9.3383","0.0013","90","","115.207","0.002","90","","1574.5","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aza-14-oxo-12-phenyltetracyclo[11.4.0.02,11.05,10]heptadeca-1(13),3,5(10),6,8,11-hexaene","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0705","0.0434","","","0.1014","0.1143","","","","","","1.01","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153585","14.886","0.004","8.048","0.002","17.59","0.004","90","","90","","90","","2107.3","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","8-Acetyl-1-aza-2-Methoxy-7-methylbicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0792","0.0635","","","0.1385","0.1466","","","","","","1.17","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153586","4.9759","0.0015","13.292","0.004","10.625","0.003","90","","90.818","0.005","90","","702.7","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","8-Acetyl-1-aza-2-Methoxy-7-methyl-9-(3-oxobutyl)bicyclo[4.3.0]nona-2,4,6,8-tetraene","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","1","","Basavaiah, Deevi; Veeraraghavaiah, Gorre; Badsara, Satpal Singh","Ketones as electrophiles in two component Baylis-Hillman reaction: a facile one-pot synthesis of substituted indolizines.","Organic & biomolecular chemistry","2014","12","10","1551","1555","10.1039/c3ob42064g","","","0.71073","MoKα","","0.0552","0.0462","","","0.1194","0.1238","","","","","","1.09","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153587","8.901","0.002","12.206","0.003","22.343","0.006","90","","90","","90","","2427.5","1","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N2 O6 P -","- C25 H25 N2 O6 P -","- C100 H100 N8 O24 P4 -","4","1","","George, Jimil; Sridhar, B.; Reddy, B. V. Subba","First example of quinine-squaramide catalyzed enantioselective addition of diphenyl phosphite to ketimines derived from isatins.","Organic & biomolecular chemistry","2014","12","10","1595","1602","10.1039/c3ob42026d","","","0.71073","MoKα","","0.0755","0.0685","","","0.1684","0.1747","","","","","","1.048","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153588","7.3288","0.0007","19.338","0.002","10.3913","0.0011","90","","103.117","0.001","90","","1434.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1i","","","- C15 H11 B F2 O4 -","- C15 H11 B F2 O4 -","- C60 H44 B4 F8 O16 -","4","1","","Bai, Guifeng; Yu, Changjiang; Cheng, Chi; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Syntheses and photophysical properties of BF2 complexes of curcumin analogues.","Organic & biomolecular chemistry","2014","12","10","1618","1626","10.1039/c3ob42201a","","","0.71073","MoKα","","0.0784","0.0547","","","0.1545","0.1722","","","","","","1.06","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153589","16.957","0.002","11.8082","0.0016","9.9913","0.0014","90","","95.18","0.002","90","","1992.4","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1j","","","- C23 H19 B F2 O2 -","- C23 H19 B F2 O2 -","- C92 H76 B4 F8 O8 -","4","0.5","","Bai, Guifeng; Yu, Changjiang; Cheng, Chi; Hao, Erhong; Wei, Yun; Mu, Xiaolong; Jiao, Lijuan","Syntheses and photophysical properties of BF2 complexes of curcumin analogues.","Organic & biomolecular chemistry","2014","12","10","1618","1626","10.1039/c3ob42201a","","","0.71073","MoKα","","0.1147","0.0577","","","0.1736","0.2196","","","","","","1.039","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153590","8.999","0.001","8.057","0.001","14.015","0.004","90","","105.34","0.04","90","","980","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-5-{(S)-[(S)-2,2-Diethyl-1,3-dioxolan-4-yl][(2-meth oxyphenyl)amino]methyl}pyrrolidin-2-one","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C38 H56 N4 O8 -","2","1","","Sartori, Andrea; Dell'amico, Luca; Battistini, Lucia; Curti, Claudio; Rivara, Silvia; Pala, Daniele; Kerry, Philip S.; Pelosi, Giorgio; Casiraghi, Giovanni; Rassu, Gloria; Zanardi, Franca","Synthesis, structure and inhibitory activity of a stereoisomer of oseltamivir carboxylate.","Organic & biomolecular chemistry","2014","12","10","1561","1569","10.1039/c3ob42069h","","","0.71073","MoKα","","0.0665","0.063","","","0.1802","0.1875","","","","","","1.076","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153591","9.3972","0.0002","16.1308","0.0003","19.6022","0.0003","90","","90","","90","","2971.39","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","2","","Nandakumar, Avanashiappan; Kiruthika, Selvarangam E.; Naveen, Kanagaraj; Perumal, Paramasivan Thirumalai","Pd(0)-catalyzed regio- and stereoselective cyclization of alkynes: selective synthesis of (E)-4-(isobenzofuran-1(3H)-ylidene)-1,2,3,4-tetrahydroisoquinolines and aze/oxepinoindoles.","Organic & biomolecular chemistry","2014","12","6","876","880","10.1039/c3ob42314j","","","0.71073","MoKα","","0.0379","0.033","","","0.0813","0.0857","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153592","34.635","0.002","8.5799","0.0004","27.476","0.001","90","","92.652","0.004","90","","8156.2","0.7","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C78 H80 Cl4 F12 N4 O4 S4 Zn -","- C78 H80 Cl4 F12 N4 O4 S4 Zn -","- C312 H320 Cl16 F48 N16 O16 S16 Zn4 -","4","0.5","","Ordronneau, Lucie; Boixel, Julien; Aubert, Vincent; Vidal, Matias S.; Moya, Sergio; Aguirre, Pedro; Toupet, Loic; Williams, J. A. Gareth; Le Bozec, Hubert; Guerchais, Véronique","New fluorescent bis-dithienylethene (DTE)-based bipyridines as reverse interrupters: single vs. double photochromism.","Organic & biomolecular chemistry","2014","12","6","979","992","10.1039/c3ob42119h","","","0.71073","MoKα","","0.2208","0.0682","","","0.1741","0.2398","","","","","","0.669","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153593","10.8607","0.0014","11.4179","0.0014","15.2714","0.0019","83.181","0.003","80.292","0.003","61.859","0.002","1644.3","0.4","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","2","","Poudel, Tej Narayan; Lee, Yong Rok","An advanced and novel one-pot synthetic method for diverse benzo[c]chromen-6-ones by transition-metal free mild base-promoted domino reactions of substituted 2-hydroxychalcones with β-ketoesters and its application to polysubstituted terphenyls.","Organic & biomolecular chemistry","2014","12","6","919","930","10.1039/c3ob41800f","","","0.71073","MoKα","","0.1161","0.0642","","","0.1559","0.2354","","","","","","1.03","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153594","59.25","0.011","5.953","0.002","22.55","0.004","90","","90.93","0.01","90","","7953","3","198","2","198","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N -","- C17 H17 N -","- C408 H408 N24 -","24","3","","Thomas, Claudia; Kataeva, Olga; Schmidt, Arndt W.; Knölker, Hans-Joachim","Regioselective prenylation of bromocarbazoles by palladium(0)-catalysed cross coupling - synthesis of O-methylsiamenol, O-methylmicromeline and carquinostatin A.","Organic & biomolecular chemistry","2014","12","6","872","875","10.1039/c3ob42297f","","","0.71073","MoKα","","0.2163","0.0884","","","0.2424","0.29","","","","","","0.918","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7153595","9.5236","0.0002","14.224","0.0003","16.822","0.0004","109.168","0.002","92.395","0.002","100.881","0.002","2100.47","0.09","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H56.5 N7 O9 S -","- C36 H56.5 N7 O9 S -","- C72 H113 N14 O18 S2 -","2","2","","De Poli, Matteo; Clayden, Jonathan","Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2014","12","5","836","843","10.1039/c3ob42167h","","","1.54178","CuKα","","0.0656","0.0475","","","0.1075","0.1164","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153596","9.5005","0.0002","14.2234","0.0003","15.3975","0.0003","89.612","0.002","84.675","0.001","78.797","0.002","2032.06","0.07","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H53 N7 O9 S -","- C34 H53 N7 O9 S -","- C68 H106 N14 O18 S2 -","2","2","","De Poli, Matteo; Clayden, Jonathan","Thionoglycine as a multifunctional spectroscopic reporter of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2014","12","5","836","843","10.1039/c3ob42167h","","","1.54178","CuKα","","0.0568","0.046","","","0.1234","0.1443","","","","","","1.049","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153597","10.233","0.004","10.817","0.004","10.864","0.004","62.661","0.004","78.149","0.004","89.945","0.004","1039.4","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 N2 O -","- C29 H20 N2 O -","- C58 H40 N4 O2 -","2","1","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0583","0.0451","","","0.12","0.1326","","","","","","1.005","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153598","13.242","0.003","13.337","0.003","16.05","0.003","67.201","0.003","81.584","0.004","60.973","0.003","2281.8","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O2 -","- C30 H22 N2 O2 -","- C120 H88 N8 O8 -","4","2","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0476","0.0402","","","0.1052","0.1125","","","","","","1.027","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153599","13.5728","0.0005","18.3397","0.0007","14.2808","0.0005","90","","90","","90","","3554.8","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C192 H144 N16 O8 -","8","2","","Lu, Hui; Yang, Qin; Zhou, Yirong; Guo, Yanqin; Deng, Zhihong; Ding, Qiuping; Peng, Yiyuan","Cross-coupling/annulations of quinazolones with alkynes for access to fused polycyclic heteroarenes under mild conditions.","Organic & biomolecular chemistry","2014","12","5","758","764","10.1039/c3ob41955j","","","0.71073","MoKα","","0.0704","0.0523","","","0.1384","0.1551","","","","","","1.009","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153600","16.9067","0.001","7.6918","0.0004","13.0515","0.0013","90","","101.576","0.007","90","","1662.7","0.2","293","2","293","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C18 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin","New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide.","Organic & biomolecular chemistry","2014","12","5","732","736","10.1039/c3ob42183j","","","0.7107","MoKα","","0.0613","0.0492","","","0.1121","0.1211","","","","","","1.127","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153601","8.85","0.003","12.001","0.004","12.727","0.004","90","","90","","90","","1351.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin","New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide.","Organic & biomolecular chemistry","2014","12","5","732","736","10.1039/c3ob42183j","","","0.71073","MoKα","","0.0703","0.0488","","","0.1148","0.1309","","","","","","0.977","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153602","9.24936","0.00019","10.4306","0.0002","9.62893","0.00018","90","","99.3592","0.0013","90","","916.6","0.03","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N2 O4 -","- C20 H17 Br N2 O4 -","- C40 H34 Br2 N4 O8 -","2","1","","Kano, Taichi; Takechi, Ryosuke; Kobayashi, Ryohei; Maruoka, Keiji","Chiral Brønsted acid-catalyzed enantioselective addition of indoles to ketimines.","Organic & biomolecular chemistry","2014","12","5","724","727","10.1039/c3ob42190b","","","1.54187","CuKα","","","0.0535","","","","0.1429","","","","","","0.871","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153603","9.5871","0.0016","10.4916","0.0018","14.112","0.002","93.549","0.009","109.31","0.009","95.346","0.01","1327.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Indoles","","","- C16 H12 F3 N -","- C16 H12 F3 N -","- C64 H48 F12 N4 -","4","2","","Das, Bimolendu; Kundu, Priyanka; Chowdhury, Chinmay","Facile synthesis of 2-arylmethylindoles and 2-vinylic indoles through palladium-catalyzed heteroannulations of 2-(2-propynyl)aniline and 2-(2-propynyl)tosylanilide.","Organic & biomolecular chemistry","2014","12","5","741","748","10.1039/c3ob41961d","","","0.71073","MoKα","","0.0735","0.0579","","","0.1732","0.1944","","","","","","1.155","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153604","9.6704","0.0005","9.8238","0.0006","38.263","0.002","90","","90","","90","","3635","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C34 H46 Br N5 O6 -","- C34 H46 Br N5 O6 -","- C136 H184 Br4 N20 O24 -","4","1","","Nair, Roshna V.; Kotmale, Amol S.; Dhokale, Snehal A.; Gawade, Rupesh L.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Formation of a pseudo-β-hairpin motif utilizing the Ant-Pro reverse turn: consequences of stereochemical reordering.","Organic & biomolecular chemistry","2014","12","5","774","782","10.1039/c3ob42016g","","","0.71073","MoKα","","0.0593","0.0447","","","0.1143","0.1233","","","","","","1.022","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153605","7.8694","0.0012","10.0748","0.0012","13.8855","0.0009","101.946","0.008","92.094","0.008","105.143","0.012","1034.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C52 H52 N4 O2 -","2","1","","Pereshivko, Olga P.; Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V.","Unexpected regio- and chemoselectivity of cationic gold-catalyzed cycloisomerizations of propargylureas: access to tetrasubstituted 3,4-dihydropyrimidin-2(1H)-ones.","Organic & biomolecular chemistry","2014","12","11","1741","1750","10.1039/c3ob42221f","","","0.7107","MoKα","","0.0481","0.0427","","","0.112","0.1161","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153606","9.963","0.0009","10.2126","0.0005","21.0844","0.0018","90","","97.452","0.01","90","","2127.2","0.3","100.5","0.9","100.5","0.9","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Pereshivko, Olga P.; Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Jacobs, Jeroen; Van Meervelt, Luc; Van der Eycken, Erik V.","Unexpected regio- and chemoselectivity of cationic gold-catalyzed cycloisomerizations of propargylureas: access to tetrasubstituted 3,4-dihydropyrimidin-2(1H)-ones.","Organic & biomolecular chemistry","2014","12","11","1741","1750","10.1039/c3ob42221f","","","0.7107","MoKα","","0.0583","0.0458","","","0.1051","0.1122","","","","","","1.08","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153607","8.3806","0.0003","11.1445","0.0004","13.0469","0.0005","107.1","0.003","90.343","0.003","93.898","0.003","1161.56","0.08","278","2","278","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C48 H42 N2 O6 S2 -","2","1","","Jalal, Swapnadeep; Bera, Krishnendu; Sarkar, Soumen; Paul, Kartick; Jana, Umasish","Efficient synthesis of functionalized dihydroquinolines, quinolines and dihydrobenzo[b]azepine via an iron(iii) chloride-catalyzed intramolecular alkyne-carbonyl metathesis of alkyne tethered 2-amino benzaldehyde/acetophenone derivatives.","Organic & biomolecular chemistry","2014","12","11","1759","1770","10.1039/c3ob42292e","","","0.71073","MoKα","","0.0922","0.0504","","","0.1173","0.129","","","","","","0.999","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153608","9.124","0.0005","23.4937","0.0012","12.015","0.0007","90","","102.275","0.008","90","","2516.6","0.3","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C50 H36 B2 F12 N4 -","- C50 H36 B2 F12 N4 -","- C100 H72 B4 F24 N8 -","2","0.5","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.0828","0.0692","","","0.1878","0.1972","","","","","","1.021","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153609","16.7527","0.0011","15.1798","0.0011","23.1208","0.0015","90","","117.527","0.008","90","","5214.1","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 B2 F12 N4 O2 -","- C58 H52 B2 F12 N4 O2 -","- C232 H208 B8 F48 N16 O8 -","4","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1939","0.0894","","","0.1935","0.2305","","","","","","1.138","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153610","11.4237","0.0003","40.4906","0.001","21.6705","0.0006","90","","100.521","0.007","90","","9855.2","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 B2 F12 N4 -","- C48 H32 B2 F12 N4 -","- C384 H256 B16 F96 N32 -","8","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1507","0.0739","","","0.1926","0.2183","","","","","","1.056","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153611","10.04744","0.00018","17.2665","0.0004","18.6317","0.0004","112.428","0.001","92.3032","0.0012","104.987","0.0009","2851.07","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H52 B2 Cl2 F4 N8 -","- C60 H52 B2 Cl2 F4 N8 -","- C120 H104 B4 Cl4 F8 N16 -","2","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.1195","0.078","","","0.1745","0.1963","","","","","","1.056","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153612","12.3328","0.0004","26.4067","0.0007","19.8528","0.0006","90","","117.109","0.0018","90","","5755.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 B2 F4 N8 -","- C54 H40 B2 F4 N8 -","- C216 H160 B8 F16 N32 -","4","1","","Nakamura, Mitsunori; Kitatsuka, Manami; Takahashi, Kohtaro; Nagata, Toshi; Mori, Shigeki; Kuzuhara, Daiki; Okujima, Tetsuo; Yamada, Hiroko; Nakae, Takahiro; Uno, Hidemitsu","Yellow NIR dye: π-fused bisbenzoBODIPYs with electron-withdrawing groups.","Organic & biomolecular chemistry","2014","12","8","1309","1317","10.1039/c3ob41996g","","","1.54187","CuKα","","0.0748","0.0568","","","0.1196","0.1263","","","","","","1.021","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153613","9.263","0.002","10.294","0.002","13.643","0.003","86.448","0.007","75.238","0.007","89.471","0.007","1255.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl N3 Ni O3 -","- C28 H28 Cl N3 Ni O3 -","- C56 H56 Cl2 N6 Ni2 O6 -","2","1","","Bergagnini, Mackenzie; Fukushi, Kazunobu; Han, Jianlin; Shibata, Norio; Roussel, Christian; Ellis, Trevor K.; Aceña, José Luis; Soloshonok, Vadim A.","NH-type of chiral Ni(ii) complexes of glycine Schiff base: design, structural evaluation, reactivity and synthetic applications.","Organic & biomolecular chemistry","2014","12","8","1278","1291","10.1039/c3ob41959b","","","0.71073","MoKα","","0.0357","0.0321","","","0.0792","0.0813","","","","","","1.006","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153614","13.4815","0.0004","8.2127","0.0003","28.9529","0.0009","90","","90","","90","","3205.65","0.18","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H N O S -","- C3.99695 H3.04457 O0.380952 S0.187429 -","- C167.872 H127.872 O16 S7.872 -","42","5.25","","Sivaraman, Mahalingam; Perumal, Paramasivan T.","Synthesis of tetracyclic chromenones via platinum(ii) chloride catalysed cascade cyclization of enediyne-enones.","Organic & biomolecular chemistry","2014","12","8","1318","1327","10.1039/c3ob41911h","","","0.71073","MoKα","","0.0456","0.0357","","","0.0818","0.0894","","","","","","1.089","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153615","7.8303","0.0009","8.7435","0.001","10.6132","0.0011","89.682","0.009","88.864","0.009","67.949","0.011","673.34","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 N2 O0 -","- C17 H12 N2 -","- C34 H24 N4 -","2","1","","Lin, Shaoxia; Li, Mengru; Dong, Zhiyong; Liang, Fushun; Zhang, Jingping","Hypervalent iodine(iii)-mediated cyclopropa(e)nation of alkenes/alkynes under mild conditions.","Organic & biomolecular chemistry","2014","12","8","1341","1350","10.1039/c3ob42123f","","","0.71073","MoKα","","0.0908","0.053","","","0.1165","0.139","","","","","","1.041","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153616","11.3178","0.0006","15.0624","0.0007","8.1854","0.0004","90","","97.093","0.005","90","","1384.71","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Lin, Shaoxia; Li, Mengru; Dong, Zhiyong; Liang, Fushun; Zhang, Jingping","Hypervalent iodine(iii)-mediated cyclopropa(e)nation of alkenes/alkynes under mild conditions.","Organic & biomolecular chemistry","2014","12","8","1341","1350","10.1039/c3ob42123f","","","0.71073","MoKα","","0.058","0.0427","","","0.0966","0.1057","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153617","9.2741","0.001","38.324","0.004","5.081","0.0005","90","","90","","90","","1805.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C19 H16 Br O4 P -","- C19 H16 Br O4 P -","- C76 H64 Br4 O16 P4 -","4","1","","Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P.","Organocatalytic enantioselective hydrophosphonylation of aldehydes.","Organic & biomolecular chemistry","2014","12","8","1258","1264","10.1039/c3ob42403k","","","0.71073","MoKα","","0.1159","0.0599","","","0.1352","0.1583","","","","","","1.038","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153618","6.2873","0.0011","12.402","0.002","22.054","0.004","90","","90","","90","","1719.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl O4 P -","- C19 H16 Cl O4 P -","- C76 H64 Cl4 O16 P4 -","4","1","","Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P.","Organocatalytic enantioselective hydrophosphonylation of aldehydes.","Organic & biomolecular chemistry","2014","12","8","1258","1264","10.1039/c3ob42403k","","","0.71073","MoKα","","0.0355","0.0315","","","0.0839","0.0883","","","","","","1.047","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153619","9.29","0.0005","16.2681","0.001","16.8894","0.001","90","","90","","90","","2552.5","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N3 O2 Se -","- C28 H29 N3 O2 Se -","- C112 H116 N12 O8 Se4 -","4","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.0361","0.0275","","","0.059","0.0616","","","","","","1.052","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153620","9.5877","0.0015","15.441","0.002","10.176","0.0017","90","","112.072","0.009","90","","1396.1","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H35 N3 O4 Se -","- C29 H35 N3 O4 Se -","- C58 H70 N6 O8 Se2 -","2","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.1002","0.0441","","","0.0716","0.0801","","","","","","0.921","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153621","10.4368","0.0002","10.9926","0.0002","11.5312","0.0002","90","","102.807","0.001","90","","1290.03","0.04","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O Se -","- C15 H13 N O Se -","- C60 H52 N4 O4 Se4 -","4","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.0395","0.0271","","","0.0693","0.0749","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153622","8.0403","0.0013","23.243","0.004","9.3718","0.0015","90","","110.49","0.004","90","","1640.6","0.5","147","2","147","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Dimitrijević, Elena; Cusimano, Madeline; Taylor, Mark S.","Synthesis of benzannulated heterocycles by twofold Suzuki-Miyaura couplings of cyclic diarylborinic acids.","Organic & biomolecular chemistry","2014","12","9","1391","1394","10.1039/c3ob42065e","","","0.71073","MoKα","","0.0718","0.0577","","","0.127","0.1336","","","","","","1.126","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153623","11.2914","0.0014","3.7335","0.0004","21.924","0.003","90","","96.597","0.007","90","","918.1","0.2","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N4 -","- C11 H8 N4 -","- C44 H32 N16 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0999","0.0533","","","0.1134","0.1374","","","","","","0.987","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153624","6.4535","0.0005","7.2728","0.0005","10.4085","0.0006","90","","105.814","0.003","90","","470.03","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H8 N2 S -","- C11 H8 N2 S -","- C22 H16 N4 S2 -","2","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0481","0.0414","","","0.0857","0.0893","","","","","","1.03","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153625","8.0045","0.0001","15.6507","0.0003","9.0232","0.0002","90","","100.439","0.001","90","","1111.68","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0247","0.0215","","","0.0507","0.0522","","","","","","1.029","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153626","9.9051","0.0006","7.572","0.0005","14.9735","0.0009","90","","100.491","0.003","90","","1104.26","0.12","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 I N3 -","- C12 H8 I N3 -","- C48 H32 I4 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0299","0.0257","","","0.0627","0.0649","","","","","","1.026","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153627","12.1661","0.0007","7.275","0.0004","14.9877","0.0008","90","","111.517","0.0017","90","","1234.09","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H10 I N3 O -","- C13 H10 I N3 O -","- C52 H40 I4 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0336","0.0281","","","0.0629","0.0653","","","","","","1.054","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153628","6.6989","0.001","8.5117","0.0012","19.409","0.003","90","","96.629","0.005","90","","1099.3","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 I N3 S -","- C10 H6 I N3 S -","- C40 H24 I4 N12 S4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0492","0.0392","","","0.1004","0.1053","","","","","","1.108","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153629","4.4884","0.0002","12.4932","0.0005","22.191","0.001","90","","90","","90","","1244.35","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 I2 N3 -","- C12 H7 I2 N3 -","- C48 H28 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.033","0.0314","","","0.0747","0.0756","","","","","","1.039","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153630","4.0838","0.0004","14.2493","0.0013","23.294","0.002","90","","90","","90","","1355.5","0.2","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C12 H6 Cl I2 N3 -","- C12 H6 Cl I2 N3 -","- C48 H24 Cl4 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0529","0.0429","","","0.0796","0.0844","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153631","7.1169","0.0003","8.2892","0.0003","12.3378","0.0005","77.399","0.002","74.075","0.002","73.384","0.002","662.94","0.05","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H6 Cl I2 N3 -","- C12 H6 Cl I2 N3 -","- C24 H12 Cl2 I4 N6 -","2","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0695","0.0416","","","0.0789","0.0884","","","","","","1.068","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153632","13.3","0.003","5.2093","0.0011","21.672","0.006","90","","95.208","0.008","90","","1495.3","0.6","250","2","250","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H6 F3 I2 N3 -","- C13 H6 F3 I2 N3 -","- C52 H24 F12 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0436","0.0327","","","0.0706","0.0756","","","","","","1.032","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153633","8.2536","0.0004","15.6664","0.0007","11.6615","0.0005","90","","108.822","0.002","90","","1427.25","0.11","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 I2 N3 O -","- C13 H9 I2 N3 O -","- C52 H36 I8 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0419","0.0348","","","0.0783","0.0808","","","","","","1.123","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153634","4.2004","0.0002","20.7217","0.0014","15.9102","0.0011","90","","97.125","0.003","90","","1374.12","0.15","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 I2 N3 O -","- C13 H9 I2 N3 O -","- C52 H36 I8 N12 O4 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0403","0.0356","","","0.108","0.1104","","","","","","1.217","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153635","4.104","0.0001","22.5488","0.0007","25.9538","0.001","90","","90","","90","","2401.77","0.13","150","2","150","2","","","","","","","synthesis as described","5","P b c 21","P 2c -2b","29","","","","- C10 H5 I2 N3 S -","- C10 H5 I2 N3 S -","- C80 H40 I16 N24 S8 -","8","2","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.0466","0.0441","","","0.1001","0.1015","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153636","16.5855","0.0003","15.6566","0.0003","14.3263","0.001","90","","118.686","0.008","90","","3263.5","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O6 Pd2 -","- C15 H14 N2 O3 Pd -","- C120 H112 N16 O24 Pd8 -","8","1","","Cheng, Tao; Yin, Weiyu; Zhang, Yi; Zhang, Yingnan; Huang, Yong","Palladium catalyzed acetoxylation of benzylic C-H bonds using a bidentate picolinamide directing group.","Organic & biomolecular chemistry","2014","12","9","1405","1411","10.1039/c3ob42196a","","","1.54178","CuKα","","0.0982","0.0896","","","0.3222","0.3543","","","","","","1.751","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153637","3.9805","0.0012","21.132","0.007","16.71","0.005","90","","96.391","0.004","90","","1396.8","0.8","100","2","100","2","","","","","","","Cally J E Haynes","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O S -","- C14 H20 N2 O S -","- C56 H80 N8 O4 S4 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0459","0.0393","","","0.0834","0.0871","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153638","9.6713","0.0007","12.217","0.0009","14.0933","0.0011","95.844","0.007","92.324","0.007","104.975","0.007","1596.4","0.2","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O S -","- C15 H19 F3 N2 O S -","- C60 H76 F12 N8 O4 S4 -","4","2","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0626","0.0435","","","0.1086","0.1175","","","","","","1.039","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153639","18.395","0.008","8.682","0.004","9.855","0.005","90","","98.783","0.006","90","","1555.4","1.3","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C60 H88 N8 O8 S4 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.081","0.0614","","","0.1388","0.1513","","","","","","1.003","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153640","5.166","0.003","34.07","0.02","7.566","0.005","90","","101.193","0.01","90","","1306.3","1.4","100","2","100","2","","","","","","","Cally-Jo Elizabeth Haynes","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C56 H80 N8 O8 -","4","1","","Haynes, Cally J. E.; Busschaert, Nathalie; Kirby, Isabelle L.; Herniman, Julie; Light, Mark E.; Wells, Neil J.; Marques, Igor; Félix, Vítor; Gale, Philip A.","Acylthioureas as anion transporters: the effect of intramolecular hydrogen bonding.","Organic & biomolecular chemistry","2014","12","1","62","72","10.1039/c3ob41522h","","","0.71075","MoKα","","0.0708","0.051","","","0.0988","0.1083","","","","","","1.038","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153641","12.5","0.0004","12.661","0.0003","22.056","0.0007","90","","90","","90","","3490.64","0.18","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C15 H25 B O4 Si -","- C15 H25 B O4 Si -","- C120 H200 B8 O32 Si8 -","8","1","","Goggins, Sean; Rosevere, Eleanor; Bellini, Clément; Allen, Joseph C.; Marsh, Barrie J.; Mahon, Mary F.; Frost, Christopher G.","Silyl-protected dioxaborinanes: application in the Suzuki cross-coupling reaction.","Organic & biomolecular chemistry","2014","12","1","47","52","10.1039/c3ob42099j","","","0.71073","MoKα","","0.1504","0.0573","","","0.1244","0.1581","","","","","","0.979","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153642","15.373","0.0007","14.1912","0.0004","16.2612","0.0007","90","","117.831","0.006","90","","3137.2","0.3","150.15","","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3-((6-Ethynyl-7-methyl-7H-purin-2-yl)amino)phenyl)acetamide","","- C16.5 H16 N6 O1.5 -","- C16.5 H16 N6 O1.5 -","- C132 H128 N48 O12 -","8","2","","Lebraud, Honorine; Coxon, Christopher R.; Archard, Victoria S.; Bawn, Carlo M.; Carbain, Benoit; Matheson, Christopher J.; Turner, David M.; Cano, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Baisch, Ulrich; Harrington, Ross W.; Golding, Bernard T.","Model system for irreversible inhibition of Nek2: thiol addition to ethynylpurines and related substituted heterocycles.","Organic & biomolecular chemistry","2014","12","1","141","148","10.1039/c3ob41806e","","","0.7107","MoKα","","0.0569","0.0436","","","0.1046","0.1134","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153643","20.838","0.004","4.7845","0.0009","14.873","0.004","90","","105.57","0.02","90","","1428.4","0.6","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-((6-Ethynyl-9-methyl-9H-purin-2-yl)amino)phenyl)acetamide","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C64 H56 N24 O4 -","4","1","","Lebraud, Honorine; Coxon, Christopher R.; Archard, Victoria S.; Bawn, Carlo M.; Carbain, Benoit; Matheson, Christopher J.; Turner, David M.; Cano, Celine; Griffin, Roger J.; Hardcastle, Ian R.; Baisch, Ulrich; Harrington, Ross W.; Golding, Bernard T.","Model system for irreversible inhibition of Nek2: thiol addition to ethynylpurines and related substituted heterocycles.","Organic & biomolecular chemistry","2014","12","1","141","148","10.1039/c3ob41806e","","","1.5418","CuKα","","0.0947","0.0559","","","0.136","0.1575","","","","","","1.087","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153644","11.5778","0.001","19.919","0.002","15.6456","0.0014","90","","90","","90","","3608.2","0.6","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H32 Br2 Cl2 O4 -","- C43 H32 Br2 Cl2 O4 -","- C172 H128 Br8 Cl8 O16 -","4","1","","Fan, Xing-Wen; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade reaction of 2-aroylvinylcinnamaldehydes with 2-aroylvinylchalcones: rapid assembly of six contiguous stereogenic centers with high diastereoselectivity.","Organic & biomolecular chemistry","2014","12","1","123","131","10.1039/c3ob41656a","","","0.71075","MoKα","","0.038","0.0264","","","0.0508","0.0531","","","","","","0.875","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153645","14.088","0.0014","25.453","0.002","9.816","0.0008","90","","110.36","0.005","90","","3299.9","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Br2 O4 -","- C42 H30 Br2 O4 -","- C168 H120 Br8 O16 -","4","1","","Fan, Xing-Wen; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade reaction of 2-aroylvinylcinnamaldehydes with 2-aroylvinylchalcones: rapid assembly of six contiguous stereogenic centers with high diastereoselectivity.","Organic & biomolecular chemistry","2014","12","1","123","131","10.1039/c3ob41656a","","","0.71075","MoKα","","0.0688","0.0552","","","0.1331","0.1414","","","","","","1.077","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153646","12.46","0.005","7.632","0.003","17.002","0.006","90","","91.153","0.006","90","","1616.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 I N O2 S -","- C16 H16 I N O2 S -","- C64 H64 I4 N4 O8 S4 -","4","1","","Li, Yuewen; Ding, Qiuping; Qiu, Guanyinsheng; Wu, Jie","Synthesis of benzosultams via an intramolecular sp2 C-H bond amination reaction of o-arylbenzenesulfonamides under metal-free conditions.","Organic & biomolecular chemistry","2014","12","1","149","155","10.1039/c3ob41810c","","","0.71073","MoKα","","0.0804","0.054","","","0.1569","0.1747","","","","","","1.053","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153647","9.396","0.004","17.34","0.006","9.934","0.004","90","","114.283","0.004","90","","1475.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Li, Yuewen; Ding, Qiuping; Qiu, Guanyinsheng; Wu, Jie","Synthesis of benzosultams via an intramolecular sp2 C-H bond amination reaction of o-arylbenzenesulfonamides under metal-free conditions.","Organic & biomolecular chemistry","2014","12","1","149","155","10.1039/c3ob41810c","","","0.71073","MoKα","","0.0804","0.0687","","","0.1731","0.1882","","","","","","1.032","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153648","9.3648","0.0015","6.0541","0.001","12.676","0.002","90","","90.287","0.006","90","","718.7","0.2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C34 H30 Br2 O4 -","2","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric chroman synthesis via an intramolecular oxy-Michael addition by bifunctional organocatalysts.","Organic & biomolecular chemistry","2014","12","1","119","122","10.1039/c3ob41938j","","","0.71075","MoKα","","","0.0697","","","","0.1151","","","","","","0.971","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153649","10.7329","0.0004","16.5196","0.0006","19.3778","0.0008","90","","101.241","0.001","90","","3369.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","gamma-lactam","","","- C39 H31 N2 O7 P S -","- C39 H31 N2 O7 P S -","- C156 H124 N8 O28 P4 S4 -","4","1","","Lin, Yu-Wei; Deng, Jie-Cheng; Hsieh, You-Zung; Chuang, Shih-Ching","One-pot formation of fluorescent γ-lactams having an α-phosphorus ylide moiety through three-component α(δ')-Michael reactions of phosphines with an enyne and N-tosyl aldimines.","Organic & biomolecular chemistry","2014","12","1","162","170","10.1039/c3ob41811a","","","0.71073","MoKα","","0.0543","0.0365","","","0.0849","0.0934","","","","","","1.009","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153650","10.2628","0.0016","14.104","0.002","15.146","0.002","85.999","0.003","73.595","0.003","79.998","0.003","2070.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","gamma-lactam","","","- C40 H28 Cl7 N2 O7 P S -","- C40 H28 Cl7 N2 O7 P S -","- C80 H56 Cl14 N4 O14 P2 S2 -","2","1","","Lin, Yu-Wei; Deng, Jie-Cheng; Hsieh, You-Zung; Chuang, Shih-Ching","One-pot formation of fluorescent γ-lactams having an α-phosphorus ylide moiety through three-component α(δ')-Michael reactions of phosphines with an enyne and N-tosyl aldimines.","Organic & biomolecular chemistry","2014","12","1","162","170","10.1039/c3ob41811a","","","0.71073","MoKα","","0.1074","0.0726","","","0.1825","0.2043","","","","","","1.061","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153651","6.2093","0.0004","8.3668","0.0005","11.145","0.0005","74.54","0.003","89.252","0.003","68.175","0.003","515.65","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O -","- C14.0008 H18.0008 O1.0001 -","- C28.0016 H36.0016 O2.0002 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0882","0.0518","","","0.1213","0.1385","","","","","","1.036","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153652","8.8558","0.0002","12.1899","0.0003","12.9536","0.0003","90","","90","","90","","1398.36","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl4 O -","- C14 H14 Cl4 O -","- C56 H56 Cl16 O4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0352","0.0302","","","0.0692","0.072","","","","","","1.065","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153653","6.5349","0.0002","8.802","0.0004","11.7531","0.0005","89.29","0.002","85.351","0.003","89.283","0.003","673.72","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Cl4 O -","- C14 H14 Cl4 O -","- C28 H28 Cl8 O2 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0404","0.0326","","","0.0775","0.082","","","","","","1.041","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153654","14.7642","0.0007","7.4391","0.0003","14.5856","0.0006","90","","91.061","0.002","90","","1601.7","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 Cl4 -","- C14 H14 Br2 Cl4 -","- C56 H56 Br8 Cl16 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0647","0.0366","","","0.0819","0.0903","","","","","","1.028","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153655","8.5158","0.0003","12.1809","0.0005","14.7928","0.0005","90","","98.852","0.003","90","","1516.18","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 Cl4 -","- C14 H14 Br2 Cl4 -","- C56 H56 Br8 Cl16 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0487","0.0424","","","0.11","0.1162","","","","","","1.025","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153656","13.033","0.001","7.7467","0.0006","12.4282","0.0009","90","","101.998","0.007","90","","1227.37","0.16","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br2 -","- C14 H18 Br2 -","- C56 H72 Br8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0553","0.039","","","0.0893","0.1006","","","","","","1.051","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153657","14.3718","0.0004","6.4978","0.0002","12.7356","0.0004","90","","94.731","0.002","90","","1185.26","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br2 -","- C14 H18 Br2 -","- C56 H72 Br8 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0334","0.0233","","","0.0491","0.052","","","","","","1.054","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153658","10.2431","0.0009","14.0654","0.0001","14.0892","0.0002","93.793","0.005","90.314","0.008","93.311","0.008","2021.96","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H34 Co2 F2 N6 O12 -","- C41 H34 Co2 F2 N6 O12 -","- C82 H68 Co4 F4 N12 O24 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.1328","0.0773","","","0.1912","0.229","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153659","7.0652","0.0008","8.2217","0.0009","13.0265","0.0014","92.9","0.003","90.127","0.003","114.75","0.003","686.07","0.13","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H14 Cl4 -","- C14 H14 Cl4 -","- C28 H28 Cl8 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0615","0.036","","","0.0685","0.075","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153660","7.0286","0.0004","8.7167","0.0005","15.6853","0.0009","83.186","0.002","87.4669","0.0019","66.254","0.0016","873.4","0.09","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 Cl4 -","- C20 H20 Cl4 -","- C40 H40 Cl8 -","2","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0354","0.0299","","","0.0744","0.0766","","","","","","1.116","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153661","7.3702","0.0002","7.6424","0.0003","9.3429","0.0003","95.852","0.002","105.352","0.001","93.753","0.001","502.48","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","VA_23","3-Bromo-4-(methoxycarbonyl)-2-(2-nitroethyl)pyrrole","","- C8 H9 Br N2 O4 -","- C8 H9 Br N2 O4 -","- C16 H18 Br2 N4 O8 -","2","1","","Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.","Hydrophilic tetracarboxy bacteriochlorins for photonics applications.","Organic & biomolecular chemistry","2014","12","1","86","103","10.1039/c3ob41791c","","","0.71073","MoKα","","0.0222","0.0216","","","0.0609","0.0612","","","","","","1.08","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153662","9.5461","0.0004","9.6709","0.0004","15.4442","0.0007","90","","90","","90","","1425.8","0.11","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","VAA-48","3-Bromo-2-(2-nitroethyl)-N-tosylpyrrole","","- C13 H13 Br N2 O4 S -","- C13 H13 Br N2 O4 S -","- C52 H52 Br4 N8 O16 S4 -","4","1","","Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.","Hydrophilic tetracarboxy bacteriochlorins for photonics applications.","Organic & biomolecular chemistry","2014","12","1","86","103","10.1039/c3ob41791c","","","0.71073","MoKα","","0.0221","0.0192","","","0.0484","0.0491","","","","","","1.057","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153663","9.5255","0.0003","10.2017","0.0004","15.6299","0.0004","96.696","0.001","95.281","0.002","117.086","0.002","1324.84","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 F6 Fe N4 O6 S2 -","- C22 H26 F6 Fe N4 O6 S2 -","- C44 H52 F12 Fe2 N8 O12 S4 -","2","1","","Yazerski, Vital A.; Spannring, Peter; Gatineau, David; Woerde, Charlotte H. M.; Wieclawska, Sara M.; Lutz, Martin; Kleijn, Henk; Klein Gebbink, Robertus J. M.","Making Fe(BPBP)-catalyzed C-H and C[double bond, length as m-dash]C oxidations more affordable.","Organic & biomolecular chemistry","2014","12","13","2062","2070","10.1039/c3ob42249f","","","0.71073","MoKα","","0.0265","0.0245","","","0.0622","0.0633","","","","","","1.047","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153664","13.0481","0.0005","13.2273","0.0005","23.4746","0.0008","102.934","0.002","93.491","0.002","100.629","0.003","3858.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H118 N12 O43 S6 -","- C44 H118 N12 O43 S6 -","- C88 H236 N24 O86 S12 -","2","1","","Rhaman, Md Mhahabubur; Ahmed, Lucky; Wang, Jing; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir","Encapsulation and selectivity of sulfate with a furan-based hexaazamacrocyclic receptor in water.","Organic & biomolecular chemistry","2014","12","13","2045","2048","10.1039/c4ob00116h","","","0.71073","MoKα","","0.072","0.0502","","","0.1278","0.144","","","","","","1.004","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153665","5.9357","0.0012","8.96","0.003","20.683","0.006","90","","90","","90","","1100","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl2 I O3 S -","- C6 H7 Cl2 I O3 S -","- C24 H28 Cl8 I4 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","0.71073","MoKα","","0.0831","0.0715","","","0.184","0.1976","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153666","7.4192","0.0004","7.6708","0.0004","8.1477","0.0005","90","","101.304","0.005","90","","454.7","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl2 -","- C10 H10 Cl2 -","- C20 H20 Cl4 -","2","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","0.71073","MoKα","","0.0368","0.0297","","","0.0578","0.0593","","","","","","1.036","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153667","6.6774","0.0001","10.9657","0.0002","11.0176","0.0002","90","","90","","90","","806.73","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl O4 S -","- C6 H7 Cl O4 S -","- C24 H28 Cl4 O16 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","1.5418","CuKα","","0.0226","0.0225","","","0.0603","0.0603","","","","","","1.081","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153668","25.257","0.013","7.226","0.004","14.807","0.008","90","","106.999","0.006","90","","2584","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C120 H120 N24 -","8","2","","Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen","Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles.","Organic & biomolecular chemistry","2014","12","13","2099","2107","10.1039/c3ob42445f","","","0.71073","MoKα","","0.0849","0.0519","","","0.1307","0.1477","","","","","","1.045","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153669","5.784","0.003","16.411","0.009","13.211","0.007","90","","92.703","0.007","90","","1252.6","1.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 -","- C15 H15 N3 -","- C60 H60 N12 -","4","1","","Zhang, Xinying; Song, Yunping; Gao, Lin; Guo, Xiaojie; Fan, Xuesen","Highly facile and regio-selective synthesis of pyrazolo[1,5-a]pyrimidines via reactions of 1,2-allenic ketones with aminopyrazoles.","Organic & biomolecular chemistry","2014","12","13","2099","2107","10.1039/c3ob42445f","","","0.71073","MoKα","","0.0804","0.0484","","","0.1084","0.1257","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153670","12.698","0.009","15.704","0.011","15.785","0.019","108.667","0.014","96.252","0.014","111.779","0.01","2675","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 Br2 O -","- C13 H14 Br2 O -","- C104 H112 Br16 O8 -","8","4","","Yang, Dingqiao; Liang, Ni","Platinum-catalyzed anti-stereocontrolled ring-opening of oxabicyclic alkenes with Grignard reagents.","Organic & biomolecular chemistry","2014","12","13","2080","2086","10.1039/c3ob42199f","","","0.71073","MoKα","","0.2821","0.0789","","","0.1502","0.2223","","","","","","0.89","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153671","10.499","0.016","11.042","0.016","16.3","0.02","90","","90","","90","","1890","5","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F3 N4 O S2 -","- C16 H17 F3 N4 O S2 -","- C64 H68 F12 N16 O4 S8 -","4","1","","Mei, Haibo; Xiong, Yiwen; Xie, Chen; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Concise and scalable asymmetric synthesis of 5-(1-amino-2,2,2-trifluoroethyl)thiazolo[3,2-b][1,2,4]triazoles.","Organic & biomolecular chemistry","2014","12","13","2108","2113","10.1039/c3ob42348d","","","0.71073","MoKα","","0.0756","0.0653","","","0.1634","0.1708","","","","","","1.024","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7153672","5.8798","0.0003","10.8995","0.0004","26.8261","0.0013","90","","95.626","0.005","90","","1710.92","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Wang, Xu; Pan, Ying-Ming; Huang, Xiao-Chao; Mao, Zhong-Yuan; Wang, Heng-Shan","A novel methodology for synthesis of dihydropyrazole derivatives as potential anticancer agents.","Organic & biomolecular chemistry","2014","12","13","2028","2032","10.1039/c3ob42432d","","","0.7107","MoKα","","0.1049","0.0599","","","0.1298","0.1574","","","","","","1.034","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153673","6.2718","0.0019","18.621","0.006","19.391","0.006","82.717","0.006","84.77","0.006","86.359","0.006","2233.9","1.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N4 O6 Si -","- C20 H24 N4 O6 Si -","- C80 H96 N16 O24 Si4 -","4","2","","Roy, Arundhati; Datar, Avdhoot; Kand, Dnyaneshwar; Saha, Tanmoy; Talukdar, Pinaki","A fluorescent off-on NBD-probe for F(-) sensing: theoretical validation and experimental studies.","Organic & biomolecular chemistry","2014","12","13","2143","2149","10.1039/c3ob41886c","","","0.71073","MoKα","","0.1875","0.0793","","","0.1806","0.2393","","","","","","0.947","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153674","13.7177","0.001","27.048","0.002","18.9817","0.0014","90","","92.5526","0.0012","90","","7035.9","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","[CB4(Ph(OC2H4NH3)2)2]Cl4.nH2O","[CB4(Ph(OC2H4NH3)2)2]Cl4.nH2O","","- C50 H94.28 Cl4 N20 O25.14 -","- C50 H68 Cl2.2785 N20 O16.39 -","- C200 H272 Cl9.114 N80 O65.56 -","4","2","","Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle","Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.","Organic & biomolecular chemistry","2014","12","15","2413","2422","10.1039/c3ob42603c","","","0.71073","MoKα","","0.0583","0.0529","","","0.121","0.1234","","","","","","1.011","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153675","29.339","0.003","13.8631","0.0013","29.715","0.003","90","","99.2288","0.0016","90","","11930","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Tetra hydroxyl CB","Tetra hydroxyl CB","","- C100 H155 N32 O49.5 -","- C100 H134 N32 O49.533 -","- C400 H536 N128 O198.132 -","4","1","","Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle","Acyclic CB[n]-type molecular containers: effect of solubilizing group on their function as solubilizing excipients.","Organic & biomolecular chemistry","2014","12","15","2413","2422","10.1039/c3ob42603c","","","0.71073","MoKα","","0.0735","0.0587","","","0.1158","0.1208","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153676","14.868","0.004","9.506","0.003","11.977","0.004","90","","111.598","0.003","90","","1573.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F6 N3 -","- C18 H9 F6 N3 -","- C72 H36 F24 N12 -","4","1","","Huang, Shengdian; Qing, Jie; Wang, Shuo; Wang, Huan; Zhang, Linqi; Tang, Yefeng","Design and synthesis of imidazo[1,2-α][1,8]naphthyridine derivatives as anti-HCV agents via direct C-H arylation.","Organic & biomolecular chemistry","2014","12","15","2344","2348","10.1039/c3ob42525h","","","0.71073","MoKα","","0.0627","0.0554","","","0.1412","0.1472","","","","","","1.14","","","","has coordinates,has disorder","180322","2020-10-21","18:00:00",""
"7153677","13.8234","0.0014","14.4667","0.0014","24.486","0.002","90","","90","","90","","4896.7","0.8","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H33 N3 O -","- C29 H33 N3 O -","- C232 H264 N24 O8 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0982","0.0495","","","0.1019","0.1239","","","","","","1.023","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153678","21.585","0.001","7.8022","0.0004","15.6198","0.0008","90","","95.68","0.001","90","","2617.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl N3 O5 -","- C29 H34 Cl N3 O5 -","- C116 H136 Cl4 N12 O20 -","4","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0569","0.0407","","","0.1005","0.1104","","","","","","1.019","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153679","12.8809","0.0006","8.8823","0.0004","13.1761","0.0006","90","","97.955","0.001","90","","1493","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B F4 N2 -","- C16 H19 B F4 N2 -","- C64 H76 B4 F16 N8 -","4","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Antonov, Alexander S.; Filarowski, Alexander","Out-Basicity of 1,8-bis(dimethylamino)naphthalene: the experimental and theoretical challenge.","Organic & biomolecular chemistry","2014","12","15","2360","2369","10.1039/c3ob41986j","","","0.71073","MoKα","","0.0417","0.0346","","","0.092","0.0975","","","","","","1.012","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153680","7.7069","0.001","10.4968","0.0014","11.1874","0.0015","93.206","0.002","102.273","0.002","104.014","0.002","852.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N O4 -","- C17 H16 Cl N O4 -","- C34 H32 Cl2 N2 O8 -","2","1","","Xin, Xiaoqing; Zhang, Qian; Liang, Yongjiu; Zhang, Rui; Dong, Dewen","Tandem halogenation/Michael-initiated ring-closing reaction of α,β-unsaturated nitriles and activated methylene compounds: one-pot diastereoselective synthesis of functionalized cyclopropanes.","Organic & biomolecular chemistry","2014","12","15","2427","2435","10.1039/c4ob00087k","","","0.71073","MoKα","","0.0763","0.0631","","","0.1618","0.1744","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153681","12.7311","0.001","15.7373","0.0013","9.2462","0.0007","90","","104.025","0.002","90","","1797.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Nitro-<i>9H</i>-3,9'-bicarbazole","","- C24 H15 N3 O2 -","- C24 H15 N3 O2 -","- C96 H60 N12 O8 -","4","1","","Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions.","Organic & biomolecular chemistry","2014","12","16","2596","2605","10.1039/c3ob41746h","","","0.71073","MoKα","","0.1302","0.0547","","","0.0953","0.1219","","","","","","1.009","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153682","12.6024","0.0005","7.6803","0.0002","19.048","0.0007","90","","102.443","0.002","90","","1800.35","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-<i>9H</i>-2,9'-bicarbazole","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Hung, Tran Quang; Thang, Ngo Ngoc; Hoang, Do Huy; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Efficient synthesis of biscarbazoles by palladium-catalyzed twofold C-N coupling and C-H activation reactions.","Organic & biomolecular chemistry","2014","12","16","2596","2605","10.1039/c3ob41746h","","","0.71073","MoKα","","0.0847","0.0514","","","0.1156","0.1352","","","","","","1.028","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153683","10.764","0.003","12.052","0.004","17.532","0.005","90","","107.151","0.007","90","","2173.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 F N2 -","- C27 H23 F N2 -","- C108 H92 F4 N8 -","4","1","","Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li","Mild gold-catalyzed three-component dehydrogenative coupling of terminal alkynes to amines and indole-2-carboxaldehyde.","Organic & biomolecular chemistry","2014","12","16","2523","2527","10.1039/c3ob42431f","","","0.71073","MoKα","","0.1725","0.11","","","0.2706","0.3547","","","","","","1.106","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153684","12.368","0.012","13.474","0.014","13.097","0.013","90","","102.866","0.017","90","","2128","4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(Tert-butyldimethylsilyloxy)-6-methoxy-1-phenyl-3, 3a, 4, 8b- tetrahydro-1H- indeno [1, 2-c] isoxazole","","- C23 H31 N O3 Si -","- C23 H31 N O3 Si -","- C92 H124 N4 O12 Si4 -","4","1","","Dulla, Balakrishna; Tangellamudi, Neelima D.; Balasubramanian, Sridhar; Yellanki, Swapna; Medishetti, Raghavender; Kumar Banote, Rakesh; Hari Chaudhari, Girish; Kulkarni, Pushkar; Iqbal, Javed; Reiser, Oliver; Pal, Manojit","Isovanillin derived N-(un)substituted hydroxylamines possessing an ortho-allylic group: valuable precursors to bioactive N-heterocycles.","Organic & biomolecular chemistry","2014","12","16","2552","2558","10.1039/c3ob42460j","","","0.71073","MoKα","","0.0567","0.0506","","","0.1381","0.1448","","","","","","1.033","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153685","11.395","0.004","7.21","0.002","17.653","0.005","90","","110.39","0.018","90","","1359.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 F N O2 -","- C17 H12 F N O2 -","- C68 H48 F4 N4 O8 -","4","1","","Ding, Dong; Liu, Gang; Xu, Guangyang; Li, Jian; Wang, Guoping; Sun, Jiangtao","Palladium catalyzed N-H bond insertion and intramolecular cyclization cascade: the divergent synthesis of heterocyclics.","Organic & biomolecular chemistry","2014","12","16","2533","2537","10.1039/c4ob00001c","","","0.71073","MoKα","","0.1061","0.0689","","","0.2064","0.2428","","","","","","1.021","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153686","13.7868","0.0003","9.5016","0.0002","10.9971","0.0003","90","","104.522","0.001","90","","1394.56","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","","Wu, Xiao-Feng; Oschatz, Stefan; Block, Axel; Spannenberg, Anke; Langer, Peter","Base mediated synthesis of 2-aryl-2,3-dihydroquinazolin-4(1H)-ones from 2-aminobenzonitriles and aromatic aldehydes in water.","Organic & biomolecular chemistry","2014","12","12","1865","1870","10.1039/c3ob42434k","","","1.54178","CuKα","","0.0349","0.0329","","","0.0857","0.0878","","","","","","1.042","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153687","7.9294","0.0012","12.763","0.002","16.761","0.003","96.664","0.017","99.981","0.017","97.378","0.014","1640.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2,3-Dichloro-N-[1-methyl-4-(methyloxy)-1H-indazol-3-yl]benzenesulfonamide","","- C15 H13 Cl2 N3 O3 S -","- C15 H13 Cl2 N3 O3 S -","- C60 H52 Cl8 N12 O12 S4 -","4","2","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0354","0.0277","","","0.0682","0.0735","","","","","","1.086","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153688","9.0361","0.0016","20.725","0.002","21.381","0.006","90","","96.612","0.016","90","","3977.5","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3-Dichloro-N-[6-chloro-3-({[2-(hydroxymethyl)phenyl]methyl}oxy)-2- pyrazinyl]benzenesulfonamide","","- C18 H14 Cl3 N3 O4 S -","- C18 H14 Cl3 N3 O4 S -","- C144 H112 Cl24 N24 O32 S8 -","8","2","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.1002","0.0615","","","0.1476","0.1716","","","","","","1.069","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153689","7.5758","0.0009","8.7573","0.0009","23.065","0.002","90","","91.905","0.008","90","","1529.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2,3-Dichloro-N-[2-(1H-pyrazol-1-yl)phenyl]benzenesulfonamide","","- C15 H11 Cl2 N3 O2 S -","- C15 H11 Cl2 N3 O2 S -","- C60 H44 Cl8 N12 O8 S4 -","4","1","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0456","0.0367","","","0.0858","0.0949","","","","","","1.083","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153690","7.439","0.0009","8.477","0.0012","13.0579","0.0015","88.763","0.011","84.177","0.01","64.88","0.013","741.5","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","2,3-Dichloro-N-[2-(1H-tetrazol-1-yl)phenyl]benzenesulfonamide","","- C13 H9 Cl2 N5 O2 S -","- C13 H9 Cl2 N5 O2 S -","- C26 H18 Cl4 N10 O4 S2 -","2","1","","Miah, Afjal H.; Copley, Royston C. B.; O'Flynn, Daniel; Percy, Jonathan M.; Procopiou, Panayiotis A.","Lead identification and structure-activity relationships of heteroarylpyrazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists.","Organic & biomolecular chemistry","2014","12","11","1779","1792","10.1039/c3ob42443j","","","0.71073","MoKα","","0.0461","0.0358","","","0.0802","0.0872","","","","","","1.03","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153691","5.29","","6.432","","12.429","","86.64","","88.36","","65.8","","385.068","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H26 O3 S -","- C15 H26 O3 S -","- C15 H26 O3 S -","1","1","","Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo","Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.","Organic & biomolecular chemistry","2014","12","14","2180","2184","10.1039/c4ob00173g","","","0.71073","MoKα","","0.0857","0.0663","","","0.1611","0.1777","","","","","","0.944","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153692","11.471","","7.889","","15.246","","90","","93.54","","90","","1377.05","","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Carroccia, Laura; Degennaro, Leonardo; Romanazzi, Giuseppe; Cuocci, Corrado; Pisano, Luisa; Luisi, Renzo","Straightforward access to 4-membered sulfurated heterocycles: introducing a strategy for the single and double functionalization of thietane 1-oxide.","Organic & biomolecular chemistry","2014","12","14","2180","2184","10.1039/c4ob00173g","","","0.71073","MoKα","","0.095","0.0547","","","0.1239","0.1438","","","","","","1.032","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153693","7.3715","0.0004","9.3781","0.0007","12.8371","0.0012","96.36","0.007","99.202","0.007","111.905","0.006","798.57","0.12","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N O -","- C21 H14 Br N O -","- C42 H28 Br2 N2 O2 -","2","1","","Yadav, Pratik; Singh, Surjeet; Sahu, Satya Narayan; Hussain, Firasat; Pratap, Ramendra","Microwave assisted base dependent regioselective synthesis of partially reduced chromenes, isochromenes and phenanthrenes.","Organic & biomolecular chemistry","2014","12","14","2228","2234","10.1039/c3ob41962b","","","0.71073","MoKα","","0.0892","0.0759","","","0.2085","0.2198","","","","","","1.097","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153694","11.0704","0.0014","22.732","0.003","13.049","0.0017","90","","104.428","0.007","90","","3180.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 S -","- C19 H16.25 N2 S -","- C152 H130 N16 S8 -","8","4","","Liu, Ge; Kong, Lichun; Shen, Ji; Zhu, Gangguo","A regio- and stereoselective entry to (Z)-β-halo alkenyl sulfides and their applications to access stereodefined trisubstituted alkenes.","Organic & biomolecular chemistry","2014","12","14","2310","2321","10.1039/c4ob00103f","","","0.71073","MoKα","","","0.0785","","","0.1706","0.2387","","","","","","0.913","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153695","6.4986","0.0013","7.2522","0.0015","40.288","0.008","90","","90","","90","","1898.7","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl3 N O3 -","- C18 H20 Cl3 N O3 -","- C72 H80 Cl12 N4 O12 -","4","1","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0595","0.0519","","","0.173","0.1892","","","","","","1.38","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153696","5.8326","0.0012","8.921","0.0018","40.497","0.008","90","","90","","90","","2107.2","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C88 H92 N4 O24 S4 -","4","1","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0905","0.0708","","","0.1263","0.1377","","","","","","1.094","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153697","9.4908","0.0018","11.747","0.002","23.965","0.005","90","","90","","90","","2671.8","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl3 N O -","- C12 H12 Cl3 N O -","- C96 H96 Cl24 N8 O8 -","8","2","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0386","0.0374","","","0.0947","0.0953","","","","","","1.109","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153698","7.1858","0.0003","21.2747","0.0008","8.7923","0.0004","90","","97.085","0.004","90","","1333.87","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","2","","Górecki, Marcin; Suszczyńska, Agata; Woźnica, Magdalena; Baj, Aneta; Wolniak, Michał; Cyrański, Michał K; Witkowski, Stanisław; Frelek, Jadwiga","Chromane helicity rule - scope and challenges based on an ECD study of various trolox derivatives.","Organic & biomolecular chemistry","2014","12","14","2235","2254","10.1039/c3ob42376j","","","0.71073","MoKα","","0.0504","0.0458","","","0.1211","0.1246","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153699","17.928","0.004","21.795","0.004","26.597","0.005","68.93","0.03","79.43","0.03","73.05","0.03","9240","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H93.5 F12 N4.5 O16 P2 -","- C79 H93.5 F12 N4.5 O16 P2 -","- C316 H374 F48 N18 O64 P8 -","4","2","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1368","0.098","","","0.2526","0.2765","","","","","","1.293","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153700","33.928","0.007","26.606","0.005","41.298","0.008","90","","112.64","0.03","90","","34407","14","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H83 F12 N2 O16 P2 -","- C74 H83 F12 N2 O16 P2 -","- C1184 H1328 F192 N32 O256 P32 -","16","2","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1696","0.12","","","0.2932","0.3159","","","","","","1.352","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153701","12.547","0.002","16.146","0.003","21.955","0.004","109.304","0.004","91.346","0.003","91.789","0.003","4192.9","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H102 F12 N4 O17 P2 -","- C86 H102 F12 N4 O17 P2 -","- C172 H204 F24 N8 O34 P4 -","2","1","","Gu, Ya-Kun; Zeng, Fei; Meng, Zheng; Chen, Chuan-Feng","Triptycene-derived macrotricyclic polyether containing an anthracene unit as a powerful host for 1,2-bis(pyridium)ethane, diquat and 2,7-diazapyrenium salt.","Organic & biomolecular chemistry","2014","12","18","2850","2853","10.1039/c4ob00310a","","","0.71073","MoKα","","0.1187","0.1017","","","0.2583","0.2755","","","","","","1.11","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153702","5.2268","0.0005","8.9268","0.0009","19.809","0.002","90","","92.227","0.002","90","","923.56","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl O3 -","- C9 H11 Cl O3 -","- C36 H44 Cl4 O12 -","4","1","","Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping","Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride.","Organic & biomolecular chemistry","2014","12","18","2854","2858","10.1039/c4ob00391h","","","0.71073","MoKα","","0.0266","0.026","","","0.0694","0.0699","","","","","","1.073","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153703","20.214","0.003","10.0193","0.0013","8.196","0.0011","90","","95.8337","0.0018","90","","1651.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cl O3 -","- C8 H9 Cl O3 -","- C64 H72 Cl8 O24 -","8","2","","Yin, Zhiwei; Zhang, Jinzhu; Wu, Jing; Green, Riana; Li, Sihan; Zheng, Shengping","Synthesis of o-chlorophenols via an unexpected nucleophilic chlorination of quinone monoketals mediated by N,N'-dimethylhydrazine dihydrochloride.","Organic & biomolecular chemistry","2014","12","18","2854","2858","10.1039/c4ob00391h","","","0.71073","MoKα","","0.0286","0.0259","","","0.0643","0.0662","","","","","","1.052","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153704","10.1157","0.0003","21.1608","0.0004","10.7272","0.0003","90","","116.05","0.003","90","","2062.95","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O3 -","- C28 H24 O3 -","- C112 H96 O12 -","4","1","","Zhu, Shifa; Hu, Lang; Jiang, Huanfeng","Gold-catalyzed tandem Diels-Alder reactions of enynals/enynones with alkenes: generation and trapping of cyclic o-QDMs.","Organic & biomolecular chemistry","2014","12","24","4104","4111","10.1039/c4ob00321g","","","1.54178","CuKα","","0.043","0.0365","","","0.1116","0.1219","","","","","","0.873","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153705","12.1109","0.0016","12.2037","0.0016","13.4259","0.0018","90","","91.302","0.002","90","","1983.8","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O3 -","- C28 H22 O3 -","- C112 H88 O12 -","4","1","","Zhu, Shifa; Hu, Lang; Jiang, Huanfeng","Gold-catalyzed tandem Diels-Alder reactions of enynals/enynones with alkenes: generation and trapping of cyclic o-QDMs.","Organic & biomolecular chemistry","2014","12","24","4104","4111","10.1039/c4ob00321g","","","0.71073","MoKα","","0.0589","0.0418","","","0.1055","0.1173","","","","","","1.027","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153706","10.7084","0.0006","11.0671","0.0007","12.0232","0.0007","78.662","0.002","84.243","0.002","61.179","0.002","1223.99","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H30 I N3 O4 -","- C23 H30 I N3 O4 -","- C46 H60 I2 N6 O8 -","2","1","","Chand, S Sarath; Saranya, S; Preethanuj, P; Dhanya, B P; Jijy, E; Prakash, Praveen; Sasidhar, B S; Szymoniak, Jan; Santhini, P V; Radhakrishnan, K V","Trapping the Lewis acid generated transient species from pentafulvene derived diazanorbornenes with ortho-functionalized aryl iodides and aliphatic alcohols.","Organic & biomolecular chemistry","2014","12","19","3045","3061","10.1039/c4ob00031e","","","0.71073","MoKα","","0.0668","0.0598","","","0.1599","0.1722","","","","","","1.119","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153707","10.212","0.003","11.258","0.003","17.747","0.004","90","","98.985","0.004","90","","2015.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Br3 N O3 S -","- C18 H18 Br3 N O3 S -","- C72 H72 Br12 N4 O12 S4 -","4","1","","Gopi, Elumalai; Namboothiri, Irishi N. N.","Synthesis of α-tribromomethylamines via Mg-mediated addition of bromoform to imines.","Organic & biomolecular chemistry","2014","12","17","2769","2777","10.1039/c4ob00259h","","","0.71073","MoKα","","0.0351","0.0286","","","0.0584","0.06","","","","","","0.972","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153708","15.502","0.001","13.181","0.001","40.203","0.001","90","","96.52","0.05","90","","8161.6","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","para hexa nitro calix[6]arene TMPA, acetone solvate","","","- C74.05 H69.11 N11 O25.68 -","- C74.053 H69.11 N11 O25.683 -","- C296.212 H276.44 N44 O102.732 -","4","1","","Brugnara, Andrea; Fusaro, Luca; Luhmer, Michel; Prangé, Thierry; Colasson, Benoit; Reinaud, Olivia","An induced-fit process through mechanical pivoting of aromatic walls in host-guest chemistry of calix[6]arene aza-cryptands.","Organic & biomolecular chemistry","2014","12","17","2754","2760","10.1039/c4ob00304g","","","0.982","synchrotron","","0.0824","0.0821","","","0.2222","0.2222","","","","","","1.156","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153709","17.5956","0.0013","7.1768","0.0004","18.6281","0.0012","90","","114.02","0.004","90","","2148.7","0.3","137.6","","137.6","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H28 F3 N3 O6 -","- C18 H28 F3 N3 O6 -","- C72 H112 F12 N12 O24 -","4","1","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","","0.71073","MoKα","","0.0368","0.0315","","","0.067","0.0713","","","","","","1.086","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153710","27.66","0.002","10.3977","0.0011","31.516","0.002","90","","115.635","0.007","90","","8171.8","1.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Cl3 N5 O8 -","- C36 H54 Cl3 N5 O8 -","- C288 H432 Cl24 N40 O64 -","8","2","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","x-ray","1.54178","CuKα","K-L~3~","0.0651","0.0571","","","0.1425","0.1492","","","","","","1.02","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153711","9.5371","0.0007","14.1962","0.001","21.2896","0.0015","90","","97.626","0.002","90","","2856.9","0.4","149.9","","149.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl3 N3 O6 -","- C22 H38 Cl3 N3 O6 -","- C88 H152 Cl12 N12 O24 -","4","1","","Lee, Woohyung; Kwon, Sunmi; Kang, Philjae; Guzei, Ilia A.; Choi, Soo Hyuk","Helical folding of α/β-peptides containing β-amino acids with an eight-membered ring constraint.","Organic & biomolecular chemistry","2014","12","17","2641","2644","10.1039/c4ob00266k","","","0.71073","MoKα","","0.0839","0.054","","","0.1399","0.1626","","","","","","0.938","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153712","23.3123","0.0004","14.7753","0.0002","18.256","0.0003","90","","90","","90","","6288.21","0.17","106","","106","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H28 N4 O4 -","- C38 H28 N4 O4 -","- C304 H224 N32 O32 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.0375","","","","0.0994","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153713","11.1289","0.0004","12.3596","0.0004","12.6371","0.0004","102.539","0.002","96.811","0.002","113.934","0.0018","1508.68","0.09","108","","108","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H28 N4 O2 -","- C38 H28 N4 O2 -","- C76 H56 N8 O4 -","2","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.044","","","","0.1348","","","","","","1.096","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153714","13.0039","0.0003","14.398","0.0003","18.6793","0.0004","99.561","0.007","91.793","0.007","103.561","0.007","3343.59","0.18","117","","117","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Cl2 N4 O3 -","- C38 H26 Cl2 N4 O3 -","- C152 H104 Cl8 N16 O12 -","4","2","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.0784","","","","0.1922","","","","","","1.021","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153715","15.9572","0.0003","8.7817","0.0002","16.7713","0.0003","90","","91.2657","0.0012","90","","2349.61","0.08","117","2","117","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H44 Cl4 O4 -","- C60 H44 Cl4 O4 -","- C120 H88 Cl8 O8 -","2","0.5","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.0601","0.0449","","","0.1171","0.1301","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153716","28.4477","0.0018","10.8997","0.0006","23.5205","0.0014","90","","98.339","0.003","90","","7215.9","0.7","117","2","117","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H21 Cl2 N3 O3 -","- C36 H21 Cl2 N3 O3 -","- C288 H168 Cl16 N24 O24 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.1457","0.0839","","","0.2156","0.2747","","","","","","0.985","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153717","7.5275","0.0001","27.5908","0.0006","26.168","0.0006","90","","90","","90","","5434.83","0.19","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C256 H224 O16 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.084","0.0631","","","0.1804","0.1934","","","","","","1.099","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153718","20.9635","0.0003","13.2472","0.0002","22.6274","0.0004","90","","90","","90","","6283.8","0.17","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H28 N4 O4 -","- C38 H28 N4 O4 -","- C304 H224 N32 O32 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","","0.1275","","","","0.2983","","","","","","1.042","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153719","28.1011","0.0005","10.9295","0.0002","23.4906","0.0004","90","","97.8432","0.001","90","","7147.2","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H27 N3 O3 -","- C38 H27 N3 O3 -","- C304 H216 N24 O24 -","8","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.1127","0.0644","","","0.1592","0.1923","","","","","","0.998","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153720","10.0721","0.0002","13.6832","0.0003","23.3065","0.0004","90","","95.6174","0.0009","90","","3196.64","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 N3 O5 -","- C38 H27 N3 O5 -","- C152 H108 N12 O20 -","4","1","","Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko","Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene.","Organic & biomolecular chemistry","2014","12","17","2784","2791","10.1039/c3ob42574f","","","1.54187","CuKα","","0.0701","0.0426","","","0.1027","0.1368","","","","","","1.118","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153721","8.7226","0.0016","19.987","0.004","9.9442","0.0019","90","","114.349","0.003","90","","1579.5","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Zhang, Jiajun; Li, Pinhua; Wang, Lei","KOAc-promoted alkynylation of α-C-H bonds of ethers with alkynyl bromides under transition-metal-free conditions.","Organic & biomolecular chemistry","2014","12","18","2969","2978","10.1039/c4ob00002a","","","0.71073","MoKα","","0.0667","0.0475","","","0.122","0.1376","","","","","","1.045","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153722","9.2718","0.0019","9.5841","0.0014","10.492","0.0015","73.388","0.013","84.716","0.014","79.196","0.015","876.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O -","- C24 H19 N O -","- C48 H38 N2 O2 -","2","1","","Goutham, Kommuru; Mangina, N. S. V. M. Rao; Suresh, Surisetti; Raghavaiah, Pallepogu; Karunakar, Galla V.","Gold-catalysed cyclisation of N-propargylic β-enaminones to form 3-methylene-1-pyrroline derivatives.","Organic & biomolecular chemistry","2014","12","18","2869","2873","10.1039/c3ob42513d","","","0.71073","MoKα","","0.0961","0.051","","","0.0894","0.1096","","","","","","0.978","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153723","15.7704","0.0009","17.0399","0.0009","17.7847","0.0009","82.212","0.001","72.642","0.002","85.179","0.002","4514.7","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C48.5 H48.5 Cl1.5 N2 S -","- C48.5 H48.5 Cl1.5 N2 S -","- C194 H194 Cl6 N8 S4 -","4","2","","Maeda, Chihiro; Masuda, Motoki; Yoshioka, Naoki","Synthesis of carbazole-based hetero-core-modified porphyrins.","Organic & biomolecular chemistry","2014","12","17","2656","2662","10.1039/c3ob42564a","","","0.71073","MoKα","","0.0885","0.0642","","","0.1751","0.1934","","","","","","1.106","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153724","8.6058","0.0004","7.5126","0.0003","22.4696","0.0008","90","","97.873","0.002","90","","1439.01","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","10,10-diethyl-2-(2-hydroxyethyl)-6,8-dioxo-6,7,8,10-tetrahydro-1H-imidazo- [2',1:3,4][1,4,2]diazaborolo[1,5-c]pyrimidin-4-iunm-10-uide","","- C13 H19 B N4 O3 -","- C13 H19 B N4 O3 -","- C52 H76 B4 N16 O12 -","4","1","","Zhang, Jiaxi; Pidlypnyi, Nazar; Nieger, Martin; Namyslo, Jan C.; Schmidt, Andreas","Zwitterionic borane adducts of N-heterocyclic carbenes from mesomeric betaines of uracil.","Organic & biomolecular chemistry","2014","12","17","2737","2744","10.1039/c3ob42462f","","","0.71073","MoKα","","0.1047","0.0906","","","0.2091","0.2201","","","","","","1.061","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153725","35.612","0.003","8.829","0.001","11.287","0.001","90","","90","","90","","3548.8","0.6","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-benzyl-10,10-diethyl-6,8-dioxo-6,7,8,10-tetrahydro-1H-imidazo [2',1:3,4][1,4,2]diazaborolo[1,5-c]pyrimidin-4-ium-10-uide","","- C18 H21 B N4 O2 -","- C18 H21 B N4 O2 -","- C144 H168 B8 N32 O16 -","8","2","","Zhang, Jiaxi; Pidlypnyi, Nazar; Nieger, Martin; Namyslo, Jan C.; Schmidt, Andreas","Zwitterionic borane adducts of N-heterocyclic carbenes from mesomeric betaines of uracil.","Organic & biomolecular chemistry","2014","12","17","2737","2744","10.1039/c3ob42462f","","","0.71073","MoKα","","0.0624","0.0505","","","0.112","0.1174","","","","","","1.12","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153726","10.0503","0.0002","10.952","0.0002","11.2054","0.0003","74.3842","0.0008","68.6115","0.0008","80.1552","0.0012","1102.4","0.04","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C54 H58 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0525","0.0409","","0.109","0.0961","0.109","","","","","","0.9333","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153727","8.66504","0.00013","9.9818","0.0002","18.4067","0.0004","90","","90","","90","","1592.05","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0339","0.0323","","0.0839","0.0811","0.0826","","","","","","1.0003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153728","11.23757","0.0001","11.23757","0.0001","31.9939","0.0003","90","","90","","120","","3498.99","0.05","150","","150","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C162 H174 N6 O12 -","6","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0336","0.033","","0.0854","0.0849","0.0854","","","","","","1.0089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153729","9.7215","0.0003","13.5384","0.0002","10.1187","0.0003","90","","116.959","0.003","90","","1187.04","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 N O2 -","- C28 H31 N O2 -","- C56 H62 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0383","0.0368","","0.1008","0.0986","0.1007","","","","","","0.9976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153730","10.27494","0.00011","10.27815","0.0001","12.21513","0.00016","90","","107.27","0.0013","90","","1231.85","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 N O2 -","- C29 H33 N O2 -","- C58 H66 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0293","0.0282","","0.0763","0.0748","0.0763","","","","","","0.9348","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153731","12.4852","0.0002","9.9345","0.0002","15.0329","0.0003","90","","100.016","0.0009","90","","1836.17","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H29 N O2 -","- C18 H29 N O2 -","- C72 H116 N4 O8 -","4","2","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0491","0.0434","","0.1086","0.1031","0.1086","","","","","","0.9156","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153732","12.315","0.0001","15.4817","0.0002","29.8308","0.0003","90","","90","","90","","5687.45","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H36 N O2.5 -","- C34.5 H36 N O2.5 -","- C276 H288 N8 O20 -","8","2","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0454","0.0439","","0.1179","0.1164","0.1179","","","","","","0.9978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153733","8.93933","0.00011","14.19427","0.00018","10.40085","0.00016","90","","98.842","0.0013","90","","1304.05","0.03","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 B F4 N O2 -","- C27 H36 B F4 N O2 -","- C54 H72 B2 F8 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0285","0.0275","","0.0696","0.0686","0.0695","","","","","","0.9882","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153734","10.7026","0.0007","15.0868","0.0009","16.8872","0.0008","90","","90","","90","","2726.7","0.3","150","","150","","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C31 H35 N O2 -","- C31 H35 N O2 -","- C124 H140 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0794","0.074","","0.2054","0.1998","0.2054","","","","","","0.9966","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153735","5.421","0.0001","8.9375","0.0003","11.4409","0.0003","90","","101.827","0.0012","90","","542.55","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H18 Cl N O2 -","- C9 H18 Cl N O2 -","- C18 H36 Cl2 N2 O4 -","2","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","0.71073","MoKα","","0.0254","0.0242","","0.0563","0.0553","0.0563","","","","","","1.0066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153736","21.828","0.004","9.4747","0.0016","22.495","0.004","90","","95.114","0.01","90","","4633.8","1.4","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C108 H136 N12 -","- C102.263 H123.569 N12 -","- C204.526 H247.139 N24 -","2","0.5","","Schweighauser, Luca; Häussinger, Daniel; Neuburger, Markus; Wegner, Hermann A.","Symmetry as a new element to control molecular switches.","Organic & biomolecular chemistry","2014","12","21","3371","3379","10.1039/c4ob00230j","","","0.71073","MoKα","","0.1755","0.0633","","0.1986","0.0657","0.0778","","","","","","1.053","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153737","6.3212","0.0016","7.4318","0.0019","33.967","0.009","90","","90","","90","","1595.7","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0939","0.0478","","","0.0928","0.1132","","","","","","1","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153738","14.2395","0.0019","7.5461","0.001","32.144","0.004","90","","90","","90","","3454","0.8","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H17 N -","- C25 H17 N -","- C200 H136 N8 -","8","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.1219","0.0498","","","0.1021","0.1364","","","","","","0.993","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153739","15.95","0.02","7.413","0.01","6.299","0.009","90","","94.011","0.018","90","","743","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 F N -","- C21 H14 F N -","- C42 H28 F2 N2 -","2","0.5","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.1626","0.0663","","","0.1535","0.1912","","","","","","1.048","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153740","12.397","0.005","13.109","0.005","13.546","0.005","90","","93.129","0.005","90","","2198.1","1.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C116 H92 N4 O8 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.086","0.0494","","","0.1221","0.1421","","","","","","1.035","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153741","13.9977","0.0016","10.9009","0.0012","18.025","0.002","90","","101.979","0.001","90","","2690.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Cl Fe N4 Pd -","- C31 H27 Cl Fe N4 Pd -","- C124 H108 Cl4 Fe4 N16 Pd4 -","4","1","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0598","0.0362","","","0.0772","0.0888","","","","","","1","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153742","16.077","0.002","12.6076","0.0017","37.742","0.005","90","","90","","90","","7650","1.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C41 H47 Cl Fe N4 Pd -","- C41 H47 Cl Fe N4 Pd -","- C328 H376 Cl8 Fe8 N32 Pd8 -","8","2","","Xu, Chen; Li, Hong-Mei; Yuan, Xiao-Er; Xiao, Zhi-Qiang; Wang, Zhi-Qiang; Fu, Wei-Jun; Ji, Bao-Ming; Hao, Xin-Qi; Song, Mao-Ping","N-heterocyclic carbene (NHC)-modulated Pd/Cu cocatalyzed three-component synthesis of 2,6-diarylquinolines.","Organic & biomolecular chemistry","2014","12","19","3114","3122","10.1039/c4ob00231h","","","0.71073","MoKα","","0.0766","0.0525","","","0.1301","0.1462","","","","","","1.049","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153743","7.925","0.0016","11.508","0.002","17.714","0.004","73.96","0.03","81.78","0.03","81.29","0.03","1526","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 N2 O4 S -","- C36 H34 N2 O4 S -","- C72 H68 N4 O8 S2 -","2","1","","Kobayashi, Satoru; Kudo, Kenji; Ito, Ai; Hirama, Satoru; Otani, Takashi; Saito, Takao","The diene-transmissive hetero-Diels-Alder reaction of 2-vinyl α,β-unsaturated aldimines: stereoselective synthesis of hexahydroquinazolin-2-ones.","Organic & biomolecular chemistry","2014","12","24","4061","4064","10.1039/c4ob00224e","","","0.71073","MoKα","","0.0835","0.0678","","","0.1534","0.1643","","","","","","0.969","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153744","9.448","0.0019","13.551","0.003","34.449","0.007","84.72","0.03","86.19","0.03","87.63","0.03","4379.3","1.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 Cl N3 -","- C17 H14 Cl N3 -","- C204 H168 Cl12 N36 -","12","6","","Chen, Huoji; Yang, Wanfei; Wu, Wanqing; Jiang, Huanfeng","Palladium-catalyzed regioselective azidation of allylic C-H bonds under atmospheric pressure of dioxygen.","Organic & biomolecular chemistry","2014","12","21","3340","3343","10.1039/c4ob00442f","","","0.71073","MoKα","","0.129","0.051","","","0.1421","0.1508","","","","","","0.842","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153745","7.9687","0.0008","9.4665","0.0009","9.6211","0.0009","62.398","0.009","77.124","0.008","81.985","0.008","626.45","0.12","120","2","120","2","","","","","","","","4","P 1","P 1","1","","ethyl-4,6-di(1H-indol-3-yl)-1-phenylpiperidin-2-carboxylate","","- C30 H29 N3 O2 -","- C30 H29 N3 O2 -","- C30 H29 N3 O2 -","1","1","","Zhong, Sabilla; Nieger, Martin; Bihlmeier, Angela; Shi, Min; Bräse, Stefan","Asymmetric organocatalytic synthesis of 4,6-bis(1H-indole-3-yl)-piperidine-2 carboxylates.","Organic & biomolecular chemistry","2014","12","20","3265","3270","10.1039/c4ob00234b","","","1.54178","CuKα","","0.0263","0.026","","","0.0664","0.0666","","","","","","1.053","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153746","9.094","0.005","13.65","0.005","16.253","0.005","80.99","0.03","85.1","0.03","72.87","0.04","1902.6","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N3 O2 S0 -","- C23 H21 N3 O2 -","- C92 H84 N12 O8 -","4","2","","Singh, Surjeet; Yadav, Pratik; Sahu, Satya Narayan; Althagafi, Ismail; Kumar, Abhinav; Kumar, Brijesh; Ram, Vishnu Ji; Pratap, Ramendra","Synthesis of 1-amino-2-aroyl/acetylnaphthalenes through a base mediated one pot inter and intramolecular C-C bond formation strategy.","Organic & biomolecular chemistry","2014","12","26","4730","4737","10.1039/c4ob00432a","","","0.71073","MoKα","","0.1815","0.0787","","","0.1529","0.2068","","","","","","1.01","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153747","6.4358","0.0003","12.1826","0.0007","12.7387","0.0007","103.653","0.005","103.478","0.005","95.006","0.004","933.06","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Cl N O4 S -","- C19 H14 Cl N O4 S -","- C38 H28 Cl2 N2 O8 S2 -","2","1","","Yu, Lian; Cao, Jian","Synthesis of α,β-unsaturated amides and iminocoumarins from N,N-disulfonyl ynamides with aldehydes via the ketenimine intermediate.","Organic & biomolecular chemistry","2014","12","23","3986","3990","10.1039/c4ob00513a","","","0.71073","MoKα","","0.0601","0.0423","","","0.0986","0.1107","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153748","6.2925","0.0005","22.0931","0.0018","15.8946","0.0013","90","","90.198","0.001","90","","2209.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H28 Cl N O6 S -","- C19 H28 Cl N O6 S -","- C76 H112 Cl4 N4 O24 S4 -","4","2","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","","0.71073","MoKα","","0.0725","0.0696","","","0.186","0.1875","","","","","","1.177","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153749","9.2379","0.0002","10.1214","0.0002","19.9426","0.0005","90","","90","","90","","1864.64","0.07","123","2","123","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 N O6 S -","- C15 H27 N O6 S -","- C60 H108 N4 O24 S4 -","4","1","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","x-ray","0.71073","MoKα","","0.0301","0.0279","","","0.0622","0.0637","","","","","","1.057","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153750","9.4099","0.0009","9.4099","0.0009","31.116","0.003","90","","90","","120","","2386.1","0.4","123","2","123","2","","","","","","","","6","P 31","P 31","144","","","","- C12 H24 Cl N O4 S -","- C12 H24 Cl N O4 S -","- C72 H144 Cl6 N6 O24 S6 -","6","2","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","","0.71073","MoKα","","0.0392","0.039","","","0.0981","0.0981","","","","","","1.244","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153751","12.308","0.007","13.358","0.007","18.357","0.01","76.993","0.007","87.634","0.008","86.828","0.007","2935","3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","MolGyro","","","- C60 H112 Si2 -","- C60 H112 Si2 -","- C120 H224 Si4 -","2","1","","Setaka, Wataru; Higa, Sayaka; Yamaguchi, Kentaro","Ring-closing metathesis for the synthesis of a molecular gyrotop.","Organic & biomolecular chemistry","2014","12","21","3354","3357","10.1039/c4ob00470a","","","0.71073","MoKα","","0.3208","0.0927","","","0.1639","0.2323","","","","","","0.802","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153752","14.53","0.003","18.768","0.003","21.753","0.004","95.313","0.002","90.751","0.003","92.942","0.002","5897.8","1.9","200","2","200","2","","","","","","","","3","P -1","-P 1","2","MolGyroIsomer","","","- C60 H112 Si2 -","- C60 H112 Si2 -","- C240 H448 Si8 -","4","2","","Setaka, Wataru; Higa, Sayaka; Yamaguchi, Kentaro","Ring-closing metathesis for the synthesis of a molecular gyrotop.","Organic & biomolecular chemistry","2014","12","21","3354","3357","10.1039/c4ob00470a","","","0.71073","MoKα","","0.237","0.0877","","","0.1959","0.2645","","","","","","0.957","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153755","8.954","0.0018","9.455","0.0019","17.176","0.003","90","","90","","90","","1454.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Zhang, Yu; Lu, Yingyan; Tang, Weifang; Lu, Tao; Du, Ding","Cooperative N-heterocyclic carbene (NHC)-Lewis acid-mediated regioselective umpolung formal [3 + 2] annulations of alkynyl aldehydes with isatins.","Organic & biomolecular chemistry","2014","12","19","3009","3015","10.1039/c4ob00145a","","","0.71073","MoKα","","0.0713","0.0474","","","0.1126","0.1259","","","","","","1.009","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153756","10.9442","0.001","12.2254","0.0012","17.017","0.0017","83.291","0.008","72.695","0.009","73.531","0.009","2083.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N4 O12 Si2 -","- C38 H48 N4 O12 Si2 -","- C76 H96 N8 O24 Si4 -","2","1","","Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon.","Organic & biomolecular chemistry","2014","12","19","3021","3025","10.1039/c4ob00139g","","","0.7107","MoKα","","0.1519","0.0709","","","0.1429","0.1871","","","","","","0.943","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153757","8.2957","0.0008","9.7941","0.001","27.385","0.003","81.1","0.008","84.633","0.008","87.844","0.008","2188","0.4","294.04","0.1","294.04","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H48 N4 O12 Si2 -","- C35 H48 N4 O12 Si2 -","- C70 H96 N8 O24 Si4 -","2","1","","Ye, Xincui; Sun, Xianwei; Huang, Zhenggang; Yang, Na; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Regioselective 1,4- over 1,2-addition of 3,3-bis(silyl) allyloxy lithium to enals, enones and enoates. The remarkable α-effect of silicon.","Organic & biomolecular chemistry","2014","12","19","3021","3025","10.1039/c4ob00139g","","","0.7107","MoKα","","0.1169","0.0748","","","0.2098","0.2439","","","","","","1.013","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153771","8.4042","0.0008","9.8413","0.0009","10.3659","0.0009","76.975","0.003","72.998","0.003","77.774","0.003","788.93","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C40 H30 N2 O8 -","2","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0551","0.0437","","","0.1462","0.1573","","","","","","1.252","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153772","7.2807","0.0003","23.1644","0.0011","12.4215","0.0006","90","","98.89","0.0014","90","","2069.76","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O10 S -","- C19 H18 N2 O10 S -","- C76 H72 N8 O40 S4 -","4","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0804","0.068","","","0.2406","0.248","","","","","","1.999","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153773","8.447","0.006","9.631","0.006","22.349","0.013","90","","91.54","0.02","90","","1818","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O6 -","- C22 H16 N O6 -","- C88 H64 N4 O24 -","4","1","","Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna","Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.","Organic & biomolecular chemistry","2014","12","21","3366","3370","10.1039/c4ob00437j","","","0.71073","MoKα","","0.0763","0.0478","","","0.1455","0.1634","","","","","","1.121","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153774","5.3381","0.0005","25.844","0.0019","11.069","0.001","90","","99.555","0.007","90","","1505.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N3 S4 -","- C14 H17 N3 S4 -","- C56 H68 N12 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.1176","0.0579","","","0.1453","0.164","","","","","","1.011","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153775","6.3081","0.0014","8.1474","0.0016","22.67","0.005","94.79","0.03","96.73","0.02","92.57","0.02","1151.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 S4 Si2 -","- C18 H24 S4 Si2 -","- C36 H48 S8 Si4 -","2","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.1165","0.0555","","","0.0943","0.1139","","","","","","1.072","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153776","6.7025","0.0005","19.621","0.002","20.267","0.003","90","","90","","90","","2665.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N6 S4 -","- C26 H22 N6 S4 -","- C104 H88 N24 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.0876","0.0482","","","0.0789","0.0923","","","","","","1.125","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153777","9.7854","0.0006","11.173","0.0007","11.332","0.0005","70.909","0.004","81.108","0.004","68.833","0.004","1090.88","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 B F4 N3 S4 -","- C18 H18 B F4 N3 S4 -","- C36 H36 B2 F8 N6 S8 -","2","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.0804","0.0657","","","0.2094","0.2255","","","","","","1.132","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153778","4.8956","0.0002","18.524","0.0006","12.7557","0.0004","90","","100.433","0.002","90","","1137.64","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br N2 -","- C13 H8 Br N2 -","- C52 H32 Br4 N8 -","4","1","","Qin, Wen-Bing; Zhu, Jia-Yi; Kong, Yu-Bo; Bao, Yun-Hong; Chen, Zheng-Wang; Liu, Liang-Xian","Metal-free (Boc)2O-mediated C4-selective direct indolation of pyridines using TEMPO.","Organic & biomolecular chemistry","2014","12","24","4252","4259","10.1039/c4ob00356j","","","0.71073","MoKα","","0.12","0.0464","","","0.1088","0.1351","","","","","","0.985","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153779","5.4783","0.0005","6.9229","0.0006","18.7771","0.0017","90","","95.059","0.003","90","","709.36","0.11","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-(Diethylphosphino)-1-(4-trifluoromethylphenyl)-1H-1,2,3-triazole","","- C13 H15 F3 N3 P -","- C13 H15 F3 N3 P -","- C26 H30 F6 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0523","0.0427","","","0.0979","0.1029","","","","","","1.111","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153780","10.0928","0.0003","10.6178","0.0003","17.3125","0.0005","90","","98.415","0.002","90","","1835.29","0.09","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-(diphenylphosphino)-1H-1,2,3-triazole","","- C21 H18 N3 P -","- C21 H18 N3 P -","- C84 H72 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0531","0.0375","","","0.0942","0.105","","","","","","1.039","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153781","5.7216","0.0002","12.5095","0.0005","12.5281","0.0005","86.643","0.002","79.834","0.002","82.749","0.002","874.95","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Bromophenyl)-4-(diphenylphosphino)-1H-1,2,3-triazole","","- C20 H15 Br N3 P -","- C20 H15 Br N3 P -","- C40 H30 Br2 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0368","0.0271","","","0.0597","0.063","","","","","","1.033","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153782","15.819","0.0003","7.2629","0.0001","13.1199","0.0002","90","","94.554","0.001","90","","1502.61","0.04","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(4-Anisyl)-4-(diethylphosphino-borane)-1H-1,2,3-triazole","","- C13 H21 B N3 O P -","- C13 H21 B N3 O P -","- C52 H84 B4 N12 O4 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0626","0.0434","","","0.1236","0.1454","","","","","","1.047","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153783","7.6993","0.0002","10.2355","0.0003","11.5727","0.0005","105.331","0.002","104.973","0.002","107.292","0.002","781.55","0.05","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Bromophenyl)-4-(diethylphosphino-borane)-1H-1,2,3-triazole","","- C12 H18 B Br N3 P -","- C12 H18 B Br N3 P -","- C24 H36 B2 Br2 N6 P2 -","2","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0616","0.0429","","","0.1126","0.1234","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153784","11.4175","0.0003","15.1163","0.0004","23.4211","0.0007","90","","98.935","0.002","90","","3993.2","0.19","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 B Br N3 P -","- C20 H18 B Br N3 P -","- C160 H144 B8 Br8 N24 P8 -","8","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0584","0.0385","","","0.0936","0.1037","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153785","11.0128","0.0002","7.8943","0.0002","24.9976","0.0005","90","","90","","90","","2173.25","0.08","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(Diethylphosphino-borane)-1-([2.2]-paracyclophan-4-yl)-1H-1,2,3-triazole","","- C22 H29 B N3 P -","- C22 H29 B N3 P -","- C88 H116 B4 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0509","0.0431","","","0.1136","0.1195","","","","","","1.058","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153786","9.85","0.0002","11.141","0.0002","14.4209","0.0003","90","","90","","90","","1582.53","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-1-Benzyl-4-(methyl-tert-butylphosphino-borane)-1H-1,2,3-triazole","","- C14 H23 B N3 P -","- C14 H23 B N3 P -","- C56 H92 B4 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0396","0.0338","","","0.0799","0.0832","","","","","","1.076","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153787","10.2656","0.0005","20.674","0.001","9.0479","0.0004","90","","100.041","0.002","90","","1890.83","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorobis[1-benzyl-4-(di-tert-butylphosphino)-1H-1,2,3-triazole]palladium(II)","","- C34 H52 Cl2 N6 P2 Pd -","- C34 H52 Cl2 N6 P2 Pd -","- C68 H104 Cl4 N12 P4 Pd2 -","2","0.5","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0221","0.0196","","","0.0508","0.0531","","","","","","1.053","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153788","9.2345","0.0001","10.4403","0.0001","15.8938","0.0002","90","","90","","90","","1532.34","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 N4 O3 -","- C12 H22 N4 O3 -","- C48 H88 N16 O12 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0265","0.0261","","","0.0674","0.0677","","","","","","1.069","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153789","10.243","0.0002","10.7344","0.0002","17.94","0.0004","90","","97.2641","0.0019","90","","1956.72","0.07","150.06","0.15","150.06","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N5 O4 -","- C16 H29 N5 O4 -","- C64 H116 N20 O16 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","0.7107","MoKα","","0.0587","0.0415","","","0.0888","0.0987","","","","","","1.017","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153790","11.2952","0.0007","12.9363","0.0009","18.6722","0.0012","108.58","0.003","96.72","0.003","104.173","0.003","2450.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 N6 O5 -","- C20 H36 N6 O5 -","- C80 H144 N24 O20 -","4","2","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0733","0.069","","","0.1838","0.1897","","","","","","1.097","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153791","13.6156","0.0004","10.7583","0.0003","15.9339","0.0005","90","","114.869","0.001","90","","2117.58","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H30 N6 O5 -","- C17 H30 N6 O5 -","- C68 H120 N24 O20 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0394","0.0376","","","0.0981","0.0995","","","","","","1.059","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153792","11.3347","0.0004","16.1397","0.0005","16.8748","0.0006","62.527","0.002","85.251","0.002","81.446","0.002","2708.1","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H39 N7 O7 -","- C21 H39 N7 O7 -","- C84 H156 N28 O28 -","4","2","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0533","0.0438","","","0.1158","0.1245","","","","","","1.046","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153793","21.6553","0.0009","21.6553","0.0009","9.8316","0.0006","90","","90","","120","","3992.9","0.3","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C22 H16 Cl N5 O2 -","- C22 H16 Cl N5 O2 -","- C132 H96 Cl6 N30 O12 -","6","1","","Huang, Xiao-Fei; Zhang, Ya-Fei; Qi, Zheng-Hang; Li, Nai-Kai; Geng, Zhi-Cong; Li, Kun; Wang, Xing-Wang","Organocatalytic enantioselective construction of multi-functionalized spiro oxindole dienes.","Organic & biomolecular chemistry","2014","12","25","4372","4385","10.1039/c4ob00545g","","","0.71073","MoKα","","0.0659","0.0527","","","0.1345","0.1417","","","","","","0.995","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153794","8.103","0.008","12.083","0.012","11.663","0.011","90","","101.473","0.008","90","","1119.1","1.9","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 F6 N5 P -","- C5 H10 F6 N5 P -","- C20 H40 F24 N20 P4 -","4","1","","Kitamura, Mitsuru; Kato, So; Yano, Masakazu; Tashiro, Norifumi; Shiratake, Yuichiro; Sando, Mitsuyoshi; Okauchi, Tatsuo","A reagent for safe and efficient diazo-transfer to primary amines: 2-azido-1,3-dimethylimidazolinium hexafluorophosphate.","Organic & biomolecular chemistry","2014","12","25","4397","4406","10.1039/c4ob00515e","","","0.71075","MoKα","","","0.1511","","","","0.4401","","","","","","3.752","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153795","12.9282","0.0005","13.3172","0.0006","6.654","0.0003","90","","102.29","0.001","90","","1119.35","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","","Chen, Jianbin; Natte, Kishore; Spannenberg, Anke; Neumann, Helfried; Beller, Matthias; Wu, Xiao-Feng","Efficient palladium-catalyzed double carbonylation of o-dibromobenzenes: synthesis of thalidomide.","Organic & biomolecular chemistry","2014","12","30","5578","5581","10.1039/c4ob00796d","","","0.71073","MoKα","","0.0641","0.0432","","","0.1058","0.1185","","","","","","1.025","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153796","8.1246","0.0003","9.2109","0.0003","14.8139","0.0005","90","","90","","90","","1108.6","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F N2 O2 -","- C11 H13 F N2 O2 -","- C44 H52 F4 N8 O8 -","4","1","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","Asymmetric synthesis of tetrahydroquinolines through supramolecular organocatalysis.","Organic & biomolecular chemistry","2014","12","25","4300","4304","10.1039/c4ob00570h","","","1.54184","CuKα","","0.0497","0.0467","","","0.1298","0.134","","","","","","1.032","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153797","10.393","0.003","26.134","0.007","7.767","0.002","90","","109.958","0.013","90","","1982.9","0.9","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 O6 -","- C22 H18 N4 O6 -","- C88 H72 N16 O24 -","4","1","","Sharma, Sanyog; Hundal, Maninder Singh; Walia, Amandeep; Vanita, Vanita; Hundal, Geeta","Nanomolar fluorogenic detection of Al(iii) by a series of Schiff bases in an aqueous system and their application in cell imaging.","Organic & biomolecular chemistry","2014","12","25","4445","4453","10.1039/c4ob00329b","","","0.71073","MoKα","","0.1365","0.0542","","","0.1236","0.1667","","","","","","0.91","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153798","16.1494","0.0015","16.1494","0.0015","15.1345","0.0014","90","","90","","120","","3418.3","0.5","296","2","296","2","","","","","","","","6","P 65","P 65","170","","","","- C21 H24 F N O2 S -","- C21 H24 F N O2 S -","- C126 H144 F6 N6 O12 S6 -","6","1","","Wu, Lingmin; Xie, Chen; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Highly efficient and generalized asymmetric synthesis of quaternary stereogenic carbon-containing β-amino indanones/indanoles via Mannich-type additions between 1-indanones and N-tert-butanesulfinylketimines.","Organic & biomolecular chemistry","2014","12","26","4620","4627","10.1039/c4ob00489b","","","0.71073","MoKα","","0.0402","0.0357","","","0.0983","0.1016","","","","","","1.035","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153799","12.6638","0.0017","16.757","0.002","22.426","0.003","90","","91.22","0.003","90","","4757.9","1.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N5 -","- C27 H25 N5 -","- C216 H200 N40 -","8","2","","Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming","DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.","Organic & biomolecular chemistry","2014","12","26","4628","4632","10.1039/c4ob00012a","","","0.71073","MoKα","","0.0816","0.0655","","","0.1325","0.1413","","","","","","1.116","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153800","13.772","0.0012","27.468","0.002","13.3251","0.0013","90","","90","","90","","5040.7","0.8","298","2","298","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C28 H28 N3 O2 -","- C28 H28 N3 O2 -","- C224 H224 N24 O16 -","8","","","Wen, Li-Rong; Lan, Ming-Chao; Yuan, Wen-Kui; Li, Ming","DABCO-mediated isocyanide-based multicomponent reaction: synthesis of highly substituted cyclopentenes.","Organic & biomolecular chemistry","2014","12","26","4628","4632","10.1039/c4ob00012a","","","0.71073","MoKα","","0.1451","0.0729","","","0.1624","0.1812","","","","","","1.099","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153801","10.7869","0.0004","21.5015","0.0008","8.1152","0.0005","90","","110.098","0.001","90","","1767.58","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","1","","Saravanan, Thangavelu; Jana, Sushital; Chadha, Anju","Utilization of whole cell mediated deracemization in a chemoenzymatic synthesis of enantiomerically enriched polycyclic chromeno[4,3-b] pyrrolidines.","Organic & biomolecular chemistry","2014","12","26","4682","4690","10.1039/c4ob00615a","","","0.71073","MoKα","","0.0704","0.0463","","","0.1119","0.1318","","","","","","1.078","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153802","8.0279","0.0007","10.048","0.0008","11.5774","0.0009","111.22","0.003","99.322","0.003","101.074","0.003","826.55","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C42 H38 N2 O6 -","2","1","","Saravanan, Thangavelu; Jana, Sushital; Chadha, Anju","Utilization of whole cell mediated deracemization in a chemoenzymatic synthesis of enantiomerically enriched polycyclic chromeno[4,3-b] pyrrolidines.","Organic & biomolecular chemistry","2014","12","26","4682","4690","10.1039/c4ob00615a","","","0.71073","MoKα","","0.0586","0.0376","","","0.0903","0.1072","","","","","","1.071","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153804","16.9504","0.0014","11.2305","0.001","9.1731","0.0009","90","","103.305","0.01","90","","1699.3","0.3","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek","Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes.","Organic & biomolecular chemistry","2014","12","20","3211","3221","10.1039/c4ob00411f","","","1.54184","CuKα","","0.0603","0.0582","","","0.1438","0.1464","","","","","","1.029","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153805","8.9866","0.0003","9.162","0.0003","13.9462","0.0005","93.732","0.003","95.624","0.003","115.839","0.004","1021.01","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C28.5 H21 N O -","- C28.5 H21 N O -","- C57 H42 N2 O2 -","2","1","","King, Frank D.; Aliev, Abil; Caddick, Stephen; Tocher, Derek","Cyclisation reactions of N-cinnamoyl-9-aminoanthracenes.","Organic & biomolecular chemistry","2014","12","20","3211","3221","10.1039/c4ob00411f","","","1.54184","CuKα","","0.0628","0.0585","","","0.1585","0.1632","","","","","","1.058","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153806","4.896","","11.351","","21.44","","90","","90","","90","","1191.52","","97","2","97","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0407","0.035","","","0.0749","0.0778","","","","","","1.054","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153807","21.18","0.003","3.9011","0.0006","16.838","0.002","90","","94.004","0.009","90","","1387.8","0.3","97","2","97","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0955","0.0529","","","0.1185","0.139","","","","","","0.973","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153808","14.514","0.003","8.703","0.0019","21.592","0.005","90","","109.575","0.008","90","","2569.8","1","97","2","97","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C128 H80 Cl8 N8 O16 -","8","2","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.1221","0.0743","","","0.1808","0.2146","","","","","","1.033","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153809","5.3737","0.0008","10.8985","0.0017","11.5417","0.0018","98.268","0.005","99.008","0.005","100.544","0.005","645.9","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C32 H20 Cl2 N2 O4 -","2","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0602","0.0551","","","0.1913","0.1984","","","","","","1.056","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153810","11.728","0.004","16.825","0.005","7.205","0.003","90","","104.87","0.02","90","","1374.1","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.1581","0.0822","","","0.1796","0.2125","","","","","","0.973","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153811","10.318","0.0011","12.8037","0.0014","10.6038","0.0011","90","","112.706","0.001","90","","1292.3","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0553","0.0405","","","0.1058","0.1153","","","","","","1.02","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153812","7.7674","0.0011","9.4798","0.0013","9.7608","0.0014","103.452","0.002","95.382","0.002","93.343","0.002","693.53","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C32 H32 Br2 N2 O4 -","2","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0755","0.0428","","","0.0837","0.0956","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153813","9.1314","0.0013","12.4725","0.0018","12.8711","0.0018","90","","90","","90","","1465.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0948","0.0462","","","0.0796","0.0969","","","","","","0.975","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153814","4.933","0.0002","15.0363","0.0007","18.3873","0.0009","90","","91.938","0.005","90","","1363.08","0.11","100","1","100","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0582","0.0445","","","0.1016","0.109","","","","","","1.072","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153815","4.9093","0.0005","14.694","0.002","19.032","0.002","90","","90","","90","","1372.9","0.3","290","1","290","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.1205","0.0669","","","0.1516","0.1926","","","","","","0.863","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153816","27.7895","0.0008","27.7895","0.0008","8.9482","0.0003","90","","90","","120","","5984.5","0.3","120","1","120","1","","","","","","","see text","4","R -3 :H","-R 3","148","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C306 H252 N36 O18 -","18","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0679","0.0509","","","0.1518","0.1644","","","","","","1.083","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153817","5.4152","0.0004","15.1404","0.0014","15.678","0.0011","90","","90","","90","","1285.41","0.18","120","1","120","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.1538","0.0709","","","0.1005","0.1304","","","","","","0.915","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153818","4.0054","0.0004","15.3131","0.0018","9.7743","0.0008","90","","95.953","0.01","90","","596.27","0.1","290","1","290","1","","","","","","","see text","4","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C32 H24 N4 O2 -","2","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0965","0.0589","","","0.1151","0.1391","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153819","4.9825","0.0003","14.7961","0.0009","15.1704","0.0008","90","","92.397","0.005","90","","1117.41","0.11","290","1","290","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.0793","0.0661","","","0.1844","0.2007","","","","","","1.073","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153820","19.347","0.003","10.2965","0.0008","12.7704","0.0019","90","","105.329","0.015","90","","2453.4","0.6","200","","200","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","4-(Benzyloxy)-8-(methyl)-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]- 7,8-dihydrofuro[2,3-e]indol","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","El-Deeb, Ibrahim M; Rose, Faith J.; Healy, Peter C.; von Itzstein, Mark","A versatile synthesis of ""tafuramycin A"": a potent anticancer and parasite attenuating agent.","Organic & biomolecular chemistry","2014","12","24","4260","4264","10.1039/c4ob00842a","","x-ray","0.7107","MoKα","","0.287","0.0922","","","0.1759","0.2699","","","","","","0.957","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153821","8.3045","0.0003","10.2673","0.0004","12.5079","0.0005","86.717","0.001","86.377","0.001","82.051","0.001","1052.85","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 I O4 S -","- C22 H19 I O4 S -","- C44 H38 I2 O8 S2 -","2","1","","Hamnett, David J.; Moran, Wesley J.","Improving alkynyl(aryl)iodonium salts: 2-anisyl as a superior aryl group.","Organic & biomolecular chemistry","2014","12","24","4156","4162","10.1039/c4ob00556b","","","0.71073","","","0.0235","0.0203","","","0.0486","0.0507","","","","","","1.087","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153822","21.6473","0.0008","7.6201","0.0003","13.154","0.0004","90","","123.262","0.004","90","","1814.34","0.14","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H22 Cl Li N2 O3 -","- C18 H22 Cl Li N2 O3 -","- C72 H88 Cl4 Li4 N8 O12 -","4","1","","Ziach, K.; Kulesza, A.; Jurczak, J.","Fast imine equilibration and its consequences for the evaluation of dynamic combinatorial libraries.","Organic & biomolecular chemistry","2014","12","23","3827","3830","10.1039/c4ob00507d","","","0.71073","MoKα","","0.0299","0.0233","","","0.0466","0.0474","","","","","","0.933","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153823","10.5637","0.0003","13.2734","0.0003","20.6274","0.0005","90","","90","","90","","2892.3","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O5 -","- C30 H54 O5 -","- C120 H216 O20 -","4","1","","Yu, Jin-Hai; Shen, Yu; Liu, Hong-Bing; Leng, Ying; Zhang, Hua; Yue, Jian-Min","Dammarane-type triterpenoids as 11β-HSD1 inhibitors from Homonoia riparia.","Organic & biomolecular chemistry","2014","12","26","4716","4722","10.1039/c4ob00807c","","","1.54178","CuKα","","0.0674","0.0606","","","0.1672","0.1746","","","","","","1.037","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153827","20.3874","0.0008","6.9055","0.0003","12.3088","0.0005","90","","90","","90","","1732.9","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H20 I N O -","- C19 H20 I N O -","- C76 H80 I4 N4 O4 -","4","0.5","","Han, Qingxin; Shi, Zhaohua; Tang, Xiaoliang; Yang, Lizi; Mou, Zuolin; Li, Jing; Shi, Jinmin; Chen, Chunyang; Liu, Wei; Yang, Huan; Liu, Weisheng","A colorimetric and ratiometric fluorescent probe for distinguishing cysteine from biothiols in water and living cells.","Organic & biomolecular chemistry","2014","12","27","5023","5030","10.1039/c4ob00463a","","","0.71073","MoKα","","0.0348","0.0311","","","0.1247","0.1328","","","","","","1.013","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153828","8.6589","0.0007","10.1791","0.0006","15.9766","0.0012","90","","90","","90","","1408.17","0.18","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","MoKα","","0.0458","0.0401","","","0.0991","0.1029","","","","","","1.044","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153829","8.7331","0.0006","14.7237","0.0011","11.9048","0.0009","90","","92.545","0.003","90","","1529.25","0.19","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C76 H80 N8 -","4","1","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","MoKα","","0.0719","0.0453","","","0.1213","0.1448","","","","","","1.068","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153830","20.666","0.0016","9.5448","0.0006","20.3329","0.0018","90","","117.451","0.005","90","","3559.1","0.5","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C184 H160 N16 -","8","2","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","","","0.0946","0.0517","","","0.1089","0.1293","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153831","9.401","0.004","9.421","0.004","10.588","0.005","108.301","0.01","93.15","0.009","94.391","0.01","884.6","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O -","- C20 H32 O -","- C40 H64 O2 -","2","1","","Wang, Xian-Lei; Lu, Yun-Yu; Wang, Jie; Wang, Xuan; Yao, He-Quan; Lin, Guo-Qiang; Sun, Bing-Feng","A novel synthetic approach to the bicyclo[5.3.1]undecan-11-one framework of vinigrol.","Organic & biomolecular chemistry","2014","12","22","3562","3566","10.1039/c4ob00046c","","","0.71073","MoKα","","0.1161","0.0859","","","0.2026","0.2205","","","","","","1.091","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153832","10.6542","0.0002","20.3405","0.0004","16.8979","0.0004","90","","97.027","0.002","90","","3634.47","0.13","120","","120","","","","101","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C144 H156 Cl4 Hg4 O16 S16 -","4","2","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.54184","CuKα","","0.0607","0.0509","","0.1324","0.1192","0.1324","","","","","","0.9277","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153833","39.4696","0.0005","39.4696","0.0005","21.8104","0.0004","90","","90","","90","","33977.3","0.9","120","","120","","","","101","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C1152 H1248 Cl32 Hg32 O128 S128 -","32","2","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.54184","CuKα","","0.0947","0.0786","","0.2476","0.2225","0.2475","","","","","","0.996","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153834","18.1361","0.0009","11.0596","0.0005","20.1127","0.0009","90","","115.888","0.006","90","","3629.3","0.3","180","","180","","","","101","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C36 H39 Cl Hg O4 S4 -","- C36 H39 Cl Hg O4 S4 -","- C144 H156 Cl4 Hg4 O16 S16 -","4","1","","Botha, F.; Böhm, S; Dvořáková, H; Eigner, V.; Lhoták, P","Mercuration of thiacalix[4]arenes in the cone and 1,3-alternate conformations.","Organic & biomolecular chemistry","2014","12","28","5136","5143","10.1039/c4ob00799a","","","1.5418","CuKα","","0.12","0.1076","","0.3006","0.2934","0.3006","","","","","","0.989","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153835","23.832","0.002","11.4009","0.001","7.7827","0.0007","90","","95.137","0.002","90","","2106.1","0.3","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C28 H20 O4 -","- C28 H20 O4 -","- C112 H80 O16 -","4","1","","Xia, Likai; Cai, Hongyun; Lee, Yong Rok","Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines.","Organic & biomolecular chemistry","2014","12","25","4386","4396","10.1039/c4ob00691g","","","0.71073","MoKα","","0.098","0.0568","","","0.1256","0.1677","","","","","","0.993","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153836","16.2287","0.0009","6.0601","0.0004","18.4712","0.001","90","","91.608","0.001","90","","1815.88","0.18","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 O5 -","- C23 H18 O5 -","- C92 H72 O20 -","4","1","","Xia, Likai; Cai, Hongyun; Lee, Yong Rok","Catalyst-controlled regio- and stereoselective synthesis of diverse 12H-6,12-methanodibenzo[d,g][1,3]dioxocines.","Organic & biomolecular chemistry","2014","12","25","4386","4396","10.1039/c4ob00691g","","","0.71073","MoKα","","0.1133","0.0518","","","0.1109","0.1623","","","","","","1.01","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153837","5.5701","0.0004","9.012","0.0006","33.683","0.002","90","","90","","90","","1690.81","0.19","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Su, Cunxiang; Xie, Ying; Pan, Hongjie; Liu, Mao; Tian, Hua; Shi, Yian","Organocatalytic synthesis of optically active β-branched α-amino esters via asymmetric biomimetic transamination.","Organic & biomolecular chemistry","2014","12","31","5856","5860","10.1039/c4ob00684d","","","0.71073","MoKα","","0.0671","0.0531","","","0.1152","0.1257","","","","","","1.116","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153838","15.9577","0.0007","6.3713","0.0003","17.8868","0.0008","90","","97.0337","0.0015","90","","1804.89","0.14","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Brockmeyer, Fabian; Schoemaker, Robin; Schmidtmann, Marc; Martens, Jürgen","Multicomponent reaction for the first synthesis of 2,2-dialkyl- and 2-alkyl-2-aralkyl-5,6-diaryl-2H-1,3-thiazines as scaffolds for various 3,4-dihydro-2H-1,3-thiazine derivatives.","Organic & biomolecular chemistry","2014","12","28","5168","5181","10.1039/c4ob00866a","","","0.71073","MoKα","","0.0394","0.0325","","","0.1245","0.1351","","","","","","1.124","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153839","9.8941","0.0017","19.167","0.003","14.2","0.002","90","","102.8","0.003","90","","2626","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N2 O2 S -","- C33 H26 N2 O2 S -","- C132 H104 N8 O8 S4 -","4","1","","Zhu, Yu; Hong, Jun-Jie; Zhou, Yun-Bin; Xiao, Yu-Wei; Lin, Min; Zhan, Zhuang-Ping","Selective synthesis of 4-(sulfonyl)-methyl-1H-pyrazoles and (E)-4,5-dihydro-1H-pyrazoles from N-allenic sulfonylhydrazones.","Organic & biomolecular chemistry","2014","12","23","3797","3801","10.1039/c4ob00550c","","","0.71073","MoKα","","0.0679","0.0606","","","0.1466","0.1512","","","","","","1.142","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153840","6.4719","0.0005","8.7411","0.0006","10.9321","0.0008","110.196","0.004","95.635","0.004","101.286","0.004","559.89","0.07","193","2","193","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C24 H32 O8 -","2","1","","Ruiz, Jérémy; Mallet-Ladeira, Sonia; Maynadier, Marjorie; Vial, Henri; André-Barrès, Christiane","Design, synthesis and evaluation of new tricyclic endoperoxides as potential antiplasmodial agents.","Organic & biomolecular chemistry","2014","12","28","5212","5221","10.1039/c4ob00787e","","x-ray","0.71073","MoKα","","0.051","0.0379","","","0.0961","0.1055","","","","","","1.036","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153841","6.5048","0.0005","20.2812","0.0016","8.3695","0.0006","90","","99.728","0.004","90","","1088.27","0.14","193","2","193","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","","Ruiz, Jérémy; Mallet-Ladeira, Sonia; Maynadier, Marjorie; Vial, Henri; André-Barrès, Christiane","Design, synthesis and evaluation of new tricyclic endoperoxides as potential antiplasmodial agents.","Organic & biomolecular chemistry","2014","12","28","5212","5221","10.1039/c4ob00787e","","x-ray","0.71073","MoKα","","0.056","0.0372","","","0.0826","0.0908","","","","","","1.027","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153842","10.8379","0.0002","7.0007","0.0001","18.8456","0.0003","90","","92.548","0.001","90","","1428.46","0.04","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C68 H64 N8 O8 -","4","1","","Lim, Zelong; Duggan, Peter J.; Meyer, Adam G.; Tuck, Kellie L.","An iterative in silico and modular synthetic approach to aqueous soluble tercyclic α-helix mimetics.","Organic & biomolecular chemistry","2014","12","25","4432","4444","10.1039/c4ob00647j","","","0.71073","MoKα","","0.0418","0.0369","","","0.0964","0.1","","","","","","1.042","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153843","12.9066","0.0005","7.1171","0.0002","15.1189","0.0006","90","","101.461","0.002","90","","1361.09","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","","Lim, Zelong; Duggan, Peter J.; Meyer, Adam G.; Tuck, Kellie L.","An iterative in silico and modular synthetic approach to aqueous soluble tercyclic α-helix mimetics.","Organic & biomolecular chemistry","2014","12","25","4432","4444","10.1039/c4ob00647j","","","0.71073","MoKα","","0.0471","0.0386","","","0.1048","0.1118","","","","","","1.036","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153845","8.4371","0.0003","8.7423","0.0003","14.5956","0.0007","105.766","0.003","98.497","0.004","99.551","0.003","1000.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-(1-(5-oxo-1-phenyl-3-propyl-2-thioxoimidazolidin-4-yl)ethylidene)- hydrazinecarboxamide x ethanol","","- C17 H25 N5 O3 S -","- C17 H25 N5 O3 S -","- C34 H50 N10 O6 S2 -","2","1","","Attanasi, Orazio A.; Favi, Gianfranco; Giorgi, Gianluca; Majer, Roberta; Perrulli, Francesca Romana; Santeusanio, Stefania","Access to novel imidazo[1,5-a]pyrazine scaffolds by the combined use of a three-component reaction and a base-assisted intramolecular cyclization.","Organic & biomolecular chemistry","2014","12","26","4610","4619","10.1039/c4ob00676c","","","0.71073","MoKα","","0.0655","0.0429","","","0.1175","0.1247","","","","","","1.006","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153846","6.4597","0.0004","9.7895","0.0006","10.0741","0.0005","70.729","0.002","76.156","0.002","79.307","0.002","579.93","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 1","P 1","1","","","","- C25 H25 Br O5 -","- C25 H25 Br O5 -","- C25 H25 Br O5 -","1","1","","Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J","Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters.","Organic & biomolecular chemistry","2014","12","28","5071","5076","10.1039/c4ob00682h","","","0.71073","MoKα","","0.0285","0.0252","","","0.0506","0.0517","","","","","","1.045","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153847","9.6739","0.0003","8.7077","0.0003","12.2435","0.0004","90","","99.661","0.001","90","","1016.73","0.06","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C48 H52 O8 -","2","1","","Kamlar, M.; Hybelbauerová, S; Císařová, I; Veselý, J","Organocatalytic enantioselective allylic alkylation of MBH carbonates with β-keto esters.","Organic & biomolecular chemistry","2014","12","28","5071","5076","10.1039/c4ob00682h","","","0.71073","MoKα","","0.0408","0.0366","","","0.0919","0.0943","","","","","","1.054","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153848","5.6964","0.0003","12.6163","0.0005","12.8565","0.0007","90","","90","","90","","923.96","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Pratap Reddy Gajulapalli, V.; Vinayagam, Poopathy; Kesavan, Venkitasamy","Organocatalytic asymmetric decarboxylative cyanomethylation of isatins using l-proline derived bifunctional thiourea.","Organic & biomolecular chemistry","2014","12","24","4186","4191","10.1039/c4ob00271g","","","0.71073","MoKα","","0.0337","0.031","","","0.0847","0.0863","","","","","","1.081","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153849","21.6481","0.0007","18.688","0.0006","24.7513","0.0008","90","","111.211","0.0014","90","","9335","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[2]pseudorotaxane Ph2IMPh-COOMe BF4","","","- C49 H54 B F4 N3 O10 -","- C49 H54 B F4 N3 O10 -","- C392 H432 B8 F32 N24 O80 -","8","2","","Farahani, Nasim; Zhu, Kelong; Noujeim, Nadim; Loeb, Stephen J.","[2]Pseudorotaxane formation between rigid Y-shaped 2,4,5-triphenylimidazolium axles and [24]crown-8 ether wheels.","Organic & biomolecular chemistry","2014","12","27","4824","4827","10.1039/c4ob00975d","","","1.54178","","","0.0692","0.0577","","","0.1439","0.1557","","","","","","1.01","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153850","18.6832","0.0015","9.6574","0.0008","22.636","0.003","90","","108.894","0.003","90","","3864.2","0.7","199","2","199","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 O7 -","- C23 H18 O7 -","- C184 H144 O56 -","8","1","","Mehrparvar, Saber; Balalaie, Saeed; Rabbanizadeh, Mahnaz; Rominger, Frank; Ghabraie, Elmira","Synthesis of functionalized chromones through sequential reactions in aqueous media.","Organic & biomolecular chemistry","2014","12","30","5757","5765","10.1039/c4ob00618f","","","0.71073","MoKα","","0.0714","0.0611","","","0.1502","0.1583","","","","","","1.054","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153851","7.0639","0.0016","12.459","0.003","14.36","0.003","90","","99.692","0.002","90","","1245.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3aE0","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Yamamoto, Hiroaki; Ohkubo, Kei; Akimoto, Seiji; Fukuzumi, Shunichi; Tsuda, Akihiko","Control of reaction pathways in the photochemical reaction of a quinone with tetramethylethylene by metal binding.","Organic & biomolecular chemistry","2014","12","36","7004","7017","10.1039/c4ob00659c","","","0.71073","MoKα","","0.0564","0.0455","","","0.1584","0.172","","","","","","1.227","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153852","9.4849","0.0008","18.4276","0.0016","19.2588","0.0017","90","","92.1781","0.0015","90","","3363.7","0.5","110","2","110","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 F12 N2 O2 S2 -","- C34 H28 F12 N2 O2 S2 -","- C136 H112 F48 N8 O8 S8 -","4","1","","Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","Arylpyrrole oligomers as tunable anion receptors.","Organic & biomolecular chemistry","2014","12","29","5492","5499","10.1039/c4ob00357h","","","0.71073","MoKα","","0.0571","0.0435","","","0.1083","0.1182","","","","","","1.088","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153853","17.1963","0.0019","22.354","0.003","24.519","0.003","90","","97.389","0.002","90","","9347","2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H55 F12 N3 O2 -","- C48 H55 F12 N3 O2 -","- C384 H440 F96 N24 O16 -","8","2","","Van Rossom, Wim; Terentyeva, Tatyana G.; Sodeyama, Keitaro; Matsushita, Yoshitaka; Tateyama, Yoshitaka; Ariga, Katsuhiko; Hill, Jonathan P.","Arylpyrrole oligomers as tunable anion receptors.","Organic & biomolecular chemistry","2014","12","29","5492","5499","10.1039/c4ob00357h","","","0.710747","MoKα","","0.2555","0.1229","","","0.2082","0.2581","","","","","","1.07","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153854","11.6001","0.0009","11.9543","0.0008","38.07","0.002","92.117","0.005","95.202","0.006","109.608","0.007","4939.8","0.6","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C116 H130 Br N7 O11 -","- C116 H130 Br N7 O11 -","- C232 H260 Br2 N14 O22 -","2","1","","White, Nicholas G.; Colaço, Ana R; Marques, Igor; Félix, Vítor; Beer, Paul D.","Halide selective anion recognition by an amide-triazolium axle containing [2]rotaxane.","Organic & biomolecular chemistry","2014","12","27","4924","4931","10.1039/c4ob00801d","","","0.6889","synchrotron","","0.1692","0.1407","","0.3363","0.3239","0.3363","","","","","","1.0893","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153855","8.573","0.006","11.482","0.007","12.279","0.009","98.521","0.011","109.56","0.011","92.004","0.007","1121.7","1.3","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C44 H46 N6 O10 -","2","1","","Pandey, Shashi; Kumar, S. Vinod; Kant, Ruchir; Chauhan, Prem M. S.","Base mediated 7-exo-dig intramolecular cyclization of Ugi-propargyl precursors: a highly efficient and regioselective synthetic approach toward diverse 1,4-benzoxazepine-5(2H)-ones.","Organic & biomolecular chemistry","2014","12","29","5346","5350","10.1039/c4ob00793j","","","0.71075","MoKα","","0.0894","0.0524","","","0.139","0.1648","","","","","","1.008","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153856","14.28","0.004","21.368","0.005","15.182","0.004","90","","98.213","0.004","90","","4585","2","293","2","293","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O3 -","- C26 H26 N2 O3 -","- C208 H208 N16 O24 -","8","2","","Pandey, Shashi; Kumar, S. Vinod; Kant, Ruchir; Chauhan, Prem M. S.","Base mediated 7-exo-dig intramolecular cyclization of Ugi-propargyl precursors: a highly efficient and regioselective synthetic approach toward diverse 1,4-benzoxazepine-5(2H)-ones.","Organic & biomolecular chemistry","2014","12","29","5346","5350","10.1039/c4ob00793j","","","0.71075","MoKα","","0.082","0.0629","","","0.146","0.1587","","","","","","1.101","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153857","8.534","0.002","15.242","0.004","16.014","0.004","90","","90","","90","","2083","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 5-(tert-butylamino)-2-(4-nitrophenyl)-4-(thiophene-2-carbonyl) furan-3-carboxylate","","- C21 H20 N2 O6 S -","- C21 H20 N2 O6 S -","- C84 H80 N8 O24 S4 -","4","1","","Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom","Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans.","Organic & biomolecular chemistry","2014","12","28","5098","5101","10.1039/c4ob01037j","","","0.7107","MoKα","","0.0463","0.0347","","","0.08","0.0871","","","","","","1.047","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153858","10.104","0.002","10.104","0.002","17.905","0.004","90","","90","","120","","1583","0.6","293","2","293","2","","","","","","","","5","P 31","P 31","144","","methyl 2-(tert-butylamino)-5-(4-nitrophenyl)-4- (thiophene-2-carbonyl)furan-3-carboxylate","","- C21 H20 N2 O6 S -","- C21 H20 N2 O6 S -","- C63 H60 N6 O18 S3 -","3","1","","Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom","Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans.","Organic & biomolecular chemistry","2014","12","28","5098","5101","10.1039/c4ob01037j","","","0.7107","MoKα","","0.0522","0.0438","","","0.107","0.1136","","","","","","1.005","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153859","13.476","0.005","6.865","0.003","17.826","0.007","90","","104.273","0.007","90","","1598.2","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl N2 O2 -","- C16 H15 Cl N2 O2 -","- C64 H60 Cl4 N8 O8 -","4","1","","Xin, Xiaoqing; Liu, Xu; Zhang, Dingyuan; Zhang, Rui; Liang, Yongjiu; Han, Fushe; Dong, Dewen","Divergent synthesis of 2,3-dihydro-1H-pyrroles, 3-alkyl-1H-pyrroles and 3-alkenyl-1H-pyrroles from 2,4-pentadienenitriles and isocyanides.","Organic & biomolecular chemistry","2014","12","29","5477","5483","10.1039/c4ob00912f","","","0.71073","MoKα","","0.1645","0.0834","","","0.1934","0.2409","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153860","8.8199","0.0008","12.7684","0.0012","13.8563","0.0013","90","","91.733","0.002","90","","1559.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Xin, Xiaoqing; Liu, Xu; Zhang, Dingyuan; Zhang, Rui; Liang, Yongjiu; Han, Fushe; Dong, Dewen","Divergent synthesis of 2,3-dihydro-1H-pyrroles, 3-alkyl-1H-pyrroles and 3-alkenyl-1H-pyrroles from 2,4-pentadienenitriles and isocyanides.","Organic & biomolecular chemistry","2014","12","29","5477","5483","10.1039/c4ob00912f","","","0.71073","MoKα","","0.0833","0.0545","","","0.1147","0.1276","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153861","9.259","0.005","13.478","0.005","15.399","0.005","90","0.005","90","0.005","90","0.005","1921.7","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20.25 H20.25 N2.25 O4.5 S0 -","- C22 H17 N O S2 -","- C88 H68 N4 O4 S8 -","4","1","","Srivastava, Abhijeet; Shukla, Gaurav; Nagaraju, Anugula; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Jones, Raymond C. F.; Singh, Maya Shankar","In(OTf)3-catalysed one-pot versatile pyrrole synthesis through domino annulation of α-oxoketene-N,S-acetals with nitroolefins.","Organic & biomolecular chemistry","2014","12","29","5484","5491","10.1039/c4ob00781f","","","0.71073","MoKα","","0.0764","0.0568","","","0.1476","0.1767","","","","","","0.586","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153862","30.216","0.002","5.9581","0.0004","26.7531","0.0016","90","","92.479","0.005","90","","4811.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 N O S -","- C31 H25 N O S -","- C248 H200 N8 O8 S8 -","8","1","","Srivastava, Abhijeet; Shukla, Gaurav; Nagaraju, Anugula; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Jones, Raymond C. F.; Singh, Maya Shankar","In(OTf)3-catalysed one-pot versatile pyrrole synthesis through domino annulation of α-oxoketene-N,S-acetals with nitroolefins.","Organic & biomolecular chemistry","2014","12","29","5484","5491","10.1039/c4ob00781f","","","0.71073","MoKα","","0.0829","0.05","","","0.102","0.1199","","","","","","1.032","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153863","6.7699","0.0004","8.2068","0.0005","15.1001","0.0009","90","","90","","90","","838.95","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2,2-dihydroxy-2-(5-oxotetrahydrofuran-2-yl)acetate","","- C7 H10 O6 -","- C7 H10 O6 -","- C28 H40 O24 -","4","1","","Sudhakar, Gangarajula; Bayya, Shruthi; Kadam, Vilas D.; Nanubolu, Jagadeesh Babu","Total synthesis of gonytolides C and G, lachnone C, and formal synthesis of blennolide C and diversonol.","Organic & biomolecular chemistry","2014","12","30","5601","5610","10.1039/c4ob00950a","","","0.71073","MoKα","","0.0297","0.0295","","","0.083","0.0831","","","","","","1.201","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153864","8.403","0.006","15.083","0.01","11.686","0.008","90","","98.565","0.006","90","","1464.6","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 O6 -","- C19 H12 O6 -","- C76 H48 O24 -","4","1","","Li, Jing; Hou, Zheng; Chen, Guang-Hui; Li, Fen; Zhou, Ying; Xue, Xiao-Yan; Li, Zhou-Peng; Jia, Min; Zhang, Zi-Dan; Li, Ming-Kai; Luo, Xiao-Xing","Synthesis, antibacterial activities, and theoretical studies of dicoumarols.","Organic & biomolecular chemistry","2014","12","29","5528","5535","10.1039/c4ob00772g","","","0.71073","MoKα","","0.0506","0.0447","","","0.1224","0.127","","","","","","1.115","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153865","11.6403","0.0009","14.5767","0.0011","16.4463","0.0012","90","","90","","90","","2790.6","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Cl4 Cu2 N4 O4 -","- C20 H32 Cl4 Cu2 N4 O4 -","- C80 H128 Cl16 Cu8 N16 O16 -","4","0.5","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.0354","0.0264","","","0.0676","0.0722","","","","","","1.042","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153866","10.506","0.005","12.627","0.006","12.057","0.005","90","","115.714","0.005","90","","1441.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Br2 Cu N2 O2 -","- C10 H16 Br2 Cu N2 O2 -","- C40 H64 Br8 Cu4 N8 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.1637","0.0581","","","0.1252","0.1699","","","","","","0.933","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153867","10.5479","0.0007","15.7383","0.0011","11.3501","0.0008","90","","99.802","0.001","90","","1856.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br2 Cu N3 O2 -","- C15 H19 Br2 Cu N3 O2 -","- C60 H76 Br8 Cu4 N12 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.0446","0.0282","","","0.0639","0.0702","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153868","14.4443","0.0015","6.1524","0.0006","14.5492","0.0015","90","","98.226","0.001","90","","1279.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","1","","Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei","Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.","Organic & biomolecular chemistry","2014","12","29","5509","5516","10.1039/c4ob01027b","","","0.71073","MoKα","","0.1085","0.0483","","","0.1086","0.1341","","","","","","0.998","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153869","10.892","0.002","7.9279","0.0018","19.835","0.004","90","","90","","90","","1712.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H6 F N O2 -","- C10 H6 F N O2 -","- C80 H48 F8 N8 O16 -","8","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.068","0.0601","","","0.114","0.1175","","","","","","1.287","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153870","12.761","0.003","20.483","0.004","8.2482","0.0015","90","","98.692","0.003","90","","2131.2","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H14 F5 N O4 -","- C26 H14 F5 N O4 -","- C104 H56 F20 N4 O16 -","4","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.06","0.0548","","","0.1284","0.1316","","","","","","1.158","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153871","9.309","0.002","9.593","0.002","12.074","0.003","76.314","0.01","76.794","0.01","79.813","0.01","1011.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H17 F2 N O4 -","- C26 H17 F2 N O4 -","- C52 H34 F4 N2 O8 -","2","1","","Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo","Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.","Organic & biomolecular chemistry","2014","12","28","5102","5107","10.1039/c4ob01052c","","","0.71073","MoKα","","0.0597","0.0528","","","0.1158","0.1198","","","","","","1.133","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153872","18.3921","0.0007","18.3921","0.0007","23.2883","0.0017","90","","90","","120","","6822.3","0.6","296.24","0.11","296.24","0.11","","","","","","","","5","P 32","P 32","145","","","","- C17 H11 N3 O2 S -","- C17 H11 N3 O2 S -","- C306 H198 N54 O36 S18 -","18","6","","Zhu, Yi-Shuo; Shi, Benyi; Fang, Ran; Wang, Xiaoxuan; Jing, Huanwang","Palladium-catalyzed microwave-assisted direct arylation of imidazo[2,1-b]thiazoles with aryl bromides: synthesis and mechanistic study.","Organic & biomolecular chemistry","2014","12","30","5773","5780","10.1039/c4ob00600c","","","0.7107","MoKα","","0.1152","0.0619","","","0.1226","0.1433","","","","","","1.11","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153873","7.6554","0.0003","9.9905","0.0004","12.4133","0.0005","84.57","0.004","88.088","0.003","67.987","0.004","876.22","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N4 O6 S -","- C16 H20 N4 O6 S -","- C32 H40 N8 O12 S2 -","2","1","","Surya Prakash Rao, H.; Parthiban, A.","One-pot pseudo three-component reaction of nitroketene-N,S-acetals and aldehydes for synthesis of highly functionalized hexa-substituted 1,4-dihydropyridines.","Organic & biomolecular chemistry","2014","12","32","6223","6238","10.1039/c4ob00628c","","","0.71073","MoKα","","0.0636","0.0435","","","0.1295","0.1452","","","","","","0.997","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153874","11.976","0.0006","15.2085","0.0006","12.0589","0.0008","90","","106.923","0.006","90","","2101.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl0.25 N3 O5 -","- C20 H21 Cl N6 O4 -","- C80 H84 Cl4 N24 O16 -","4","1","","Surya Prakash Rao, H.; Parthiban, A.","One-pot pseudo three-component reaction of nitroketene-N,S-acetals and aldehydes for synthesis of highly functionalized hexa-substituted 1,4-dihydropyridines.","Organic & biomolecular chemistry","2014","12","32","6223","6238","10.1039/c4ob00628c","","","0.7107","MoKα","","0.1024","0.0509","","","0.0996","0.1166","","","","","","0.989","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153875","5.9134","0.0001","19.9075","0.0004","23.6392","0.0005","90","","90","","90","","2782.83","0.09","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β‒hydroxy‒16β‒(4‒phenyl‒1<i>H</i>‒1,2,3‒triazol‒1‒yl)‒ 17α‒hydroxy‒17β‒methyl‒D‒homoandrost‒5‒en‒17a‒one","","- C29 H37 N3 O3 -","- C29 H37 N3 O3 -","- C116 H148 N12 O12 -","4","1","","Kotovshchikov, Yury N.; Latyshev, Gennadij V.; Lukashev, Nikolay V.; Beletskaya, Irina P.","Synthesis of novel 1,2,3-triazolyl derivatives of pregnane, androstane and d-homoandrostane. Tandem ""click"" reaction/Cu-catalyzed d-homo rearrangement.","Organic & biomolecular chemistry","2014","12","22","3707","3720","10.1039/c4ob00404c","","","1.5418","CuKα","","0.0835","0.0465","","","0.1038","0.1158","","","","","","0.869","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153876","6.2213","0.0004","19.9582","0.0012","13.3944","0.0009","90","","93.326","0.007","90","","1660.33","0.18","180","0.1","180","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.0563","0.0441","","","0.1081","0.1161","","","","","","1.046","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153877","6.1765","0.0002","11.6169","0.0004","24.6124","0.0011","90","","96.136","0.004","90","","1755.87","0.11","100","0.1","100","0.1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 -","- C25 H24 -","- C100 H96 -","4","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.0753","0.055","","","0.1161","0.1273","","","","","","1.068","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153878","19.1645","0.0014","5.9934","0.0005","29.725","0.003","90","","98.23","0.008","90","","3379.1","0.5","100.01","0.13","100.01","0.13","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C176 H176 O16 -","8","1","","Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo","Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.","Organic & biomolecular chemistry","2014","12","22","3590","3593","10.1039/c4ob00590b","","","0.7107","MoKα","","0.1203","0.0711","","","0.1416","0.1779","","","","","","1.055","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153879","7.2984","0.0019","10.981","0.003","10.041","0.003","90","","90.375","0.004","90","","804.7","0.4","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C32 H50 N2 O6 -","2","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0327","0.0314","","","0.0901","0.0916","","","","","","1.04","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153880","5.51","0.005","13.604","0.011","19.941","0.016","90","","90","","90","","1495","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0483","0.0411","","","0.1004","0.105","","","","","","1.014","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153881","5.4633","0.0008","11.8774","0.0017","12.69","0.0018","90","","93.632","0.002","90","","821.8","0.2","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C32 H50 N2 O10 -","2","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0251","0.025","","","0.0709","0.0712","","","","","","1.052","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153882","11.7026","0.0004","9.9471","0.0003","28.8577","0.0012","90","","90","","90","","3359.2","0.2","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(1-Oxo-2,2,6,6-tetramethylpiperidin-4-yl)-pivalamide","","- C14 H27 N2 O2 -","- C14 H27 N2 O2 -","- C112 H216 N16 O16 -","8","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.7107","MoKα","","0.0693","0.0507","","","","0.1554","","","","","","1.0712","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153883","11.94158","0.00018","12.0243","0.0002","11.31901","0.00019","90","","90","","90","","1625.29","0.05","293","1","293","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-tert-Butoxycarbonylamino-2,2,6,6-tetramethylpiperidin-1-oxid","","- C14 H27 N2 O3 -","- C14 H27 N2 O3 -","- C56 H108 N8 O12 -","4","0.5","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.064","0.058","","","0.1661","0.1727","","","","","","1.076","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153884","11.9401","0.0007","11.3109","0.0007","10.5933","0.0005","90","","90","","90","","1430.66","0.14","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","3-(2,2,2-Trifluoroacetylamino)-2,2,5,5-tetramethylpyrrolidin-1-oxid","","- C11 H18 F3 N2 O2 -","- C11 H18 F3 N2 O2 -","- C44 H72 F12 N8 O8 -","4","0.5","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0879","0.0664","","","0.1805","0.2075","","","","","","1.094","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153885","8.28928","0.00018","19.4108","0.0004","26.6839","0.0005","90","","90","","90","","4293.48","0.15","293","1","293","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-Acetyl-N, N-bis-(1-oxo-2,2,6,6-tetramethylpiperidin-4-yl)-amine","","- C20 H37 N3 O3 -","- C20 H37 N3 O3 -","- C160 H296 N24 O24 -","8","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0582","0.0498","","","0.1366","0.1435","","","","","","1.069","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153886","14.2418","0.0004","9.4098","0.0002","19.498","0.0006","90","","103.412","0.003","90","","2541.71","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2,2,2-Trifluoroacetyl)-N,N-bis- (1-oxo-2,2,6,6-tetramethylpiperidin-4-yl)-amine 1/2 ethanol hemihydrat","","- C21 H38 F3 N3 O4 -","- C21 H38 F3 N3 O4 -","- C84 H152 F12 N12 O16 -","4","1","","Kavala, Miroslav; Brezová, Vlasta; Svorc, Lubomír; Vihonská, Zuzana; Olejníková, Petra; Moncol, Ján; Kožíšek, Jozef; Herich, Peter; Szolcsányi, Peter","Synthesis, physicochemical properties and antimicrobial activity of mono-/dinitroxyl amides.","Organic & biomolecular chemistry","2014","12","25","4491","4502","10.1039/c4ob00302k","","","0.71073","MoKα","","0.0681","0.0573","","","0.169","0.1837","","","","","","1.03","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153887","8.8826","0.0008","9.7822","0.0008","20.8708","0.0018","90","","90","","90","","1813.5","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 3-(4-chlorophenyl)-2-cyano-2,3-dihydronaphtho[1,2-b]furan-2-carbimidate","","- C21 H15 Cl N2 O2 -","- C21 H15 Cl N2 O2 -","- C84 H60 Cl4 N8 O8 -","4","1","","Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu","""One-pot"" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans.","Organic & biomolecular chemistry","2014","12","25","4412","4420","10.1039/c4ob00324a","","","0.71073","MoKα","","0.0343","0.0324","","","0.0858","0.0876","","","","","","0.986","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153888","15.9828","0.0014","6.8208","0.0006","34.232","0.003","90","","90","","90","","3731.8","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Dimethyl 3-phenylnaphtho[1,2-b]furan-2,2(3H)-bis(carbimidate)","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C176 H160 N16 O24 -","8","1","","Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu","""One-pot"" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans.","Organic & biomolecular chemistry","2014","12","25","4412","4420","10.1039/c4ob00324a","","","0.71073","MoKα","","0.0419","0.0383","","","0.0986","0.1018","","","","","","1.049","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153889","9.3671","0.0006","9.5385","0.0007","17.0984","0.0012","90","","90","","90","","1527.71","0.18","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Roca-López, David; Marqués-López, Eugenia; Alcaine, Ana; Merino, Pedro; Herrera, Raquel P.","A Friedel-Crafts alkylation mechanism using an aminoindanol-derived thiourea catalyst.","Organic & biomolecular chemistry","2014","12","25","4503","4510","10.1039/c4ob00348a","","","1.54178","CuKα","","0.0575","0.0492","","","0.116","0.1197","","","","","","1.002","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153890","8.9888","0.00014","6.81739","0.00008","18.275","0.0002","90","","100.482","0.0014","90","","1101.21","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C56 H50 N2 O6 -","2","1","","Ouyang, Banlai; Yu, Tingting; Luo, Renshi; Lu, Gui","The asymmetric Cu(ii)-indolinylmethanol complex catalyzed Diels-Alder reaction of 2-vinylindoles with β,γ-unsaturated α-ketoesters: an efficient route to functionalized tetrahydrocarbazoles.","Organic & biomolecular chemistry","2014","12","24","4172","4176","10.1039/c4ob00196f","","","1.54184","CuKα","","0.0292","0.0273","","","0.0685","0.0703","","","","","","1.046","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153891","34.5934","0.0006","34.5934","0.0006","8.2566","0.0003","90","","90","","120","","8556.9","0.4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H42 N2 O6 Rh2 -","- C38 H42 N2 O6 Rh2 -","- C342 H378 N18 O54 Rh18 -","9","0.5","","Lam, Hon-Wah; Man, Ka-Yi; Chan, Wai-Wing; Zhou, Zhongyuan; Yu, Wing-Yiu","Rhodium(iii)-catalyzed formal oxidative [4 + 1] cycloaddition of benzohydroxamic acids and α-diazoesters. A facile synthesis of functionalized benzolactams.","Organic & biomolecular chemistry","2014","12","24","4112","4116","10.1039/c4ob00512k","","","0.71073","MoKα","","0.0885","0.0649","","","0.1959","0.2312","","","","","","1.004","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153892","5.8444","0.0012","19.476","0.004","10.909","0.002","90","","95.18","0.03","90","","1236.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Cl2 N2 O2 -","- C9 H14 Cl2 N2 O2 -","- C36 H56 Cl8 N8 O8 -","4","1","","Zhao, Fei; Li, Yuexing; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Selective synthesis of (Z)-2-enynyl-2-hydroxy-imidazolidine-4,5-diones via Cu(i)-mediated multicomponent coupling of terminal alkynes, carbodiimides and oxalyl chloride.","Organic & biomolecular chemistry","2014","12","21","3336","3339","10.1039/c4ob00185k","","","0.71073","MoKα","","0.0692","0.0445","","","0.0943","0.1006","","","","","","0.993","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153893","10.058","0.002","25.771","0.005","14.912","0.003","90","","106.01","0.03","90","","3715.3","1.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H40 Cl6 N2 O3 -","- C35 H40 Cl6 N2 O3 -","- C140 H160 Cl24 N8 O12 -","4","1","","Zhao, Fei; Li, Yuexing; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Selective synthesis of (Z)-2-enynyl-2-hydroxy-imidazolidine-4,5-diones via Cu(i)-mediated multicomponent coupling of terminal alkynes, carbodiimides and oxalyl chloride.","Organic & biomolecular chemistry","2014","12","21","3336","3339","10.1039/c4ob00185k","","","0.71073","MoKα","","0.1898","0.0749","","","0.1394","0.1506","","","","","","0.992","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153894","7.7404","0.0015","8.6624","0.0017","13.34","0.003","81.46","0.03","89.7","0.03","70.47","0.03","832.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Liu, Bingjie; Zhang, Yueteng; Huang, Gang; Zhang, Xinting; Niu, Pengfei; Wu, Jie; Yu, Wenquan; Chang, Junbiao","A concise approach to polysubstituted oxazoles from N-acyl-2-bromo enamides via a copper(i)/amino acid-catalyzed intramolecular C-O bond formation.","Organic & biomolecular chemistry","2014","12","23","3912","3923","10.1039/c4ob00309h","","","0.71073","MoKα","","0.3106","0.2092","","","0.3973","0.463","","","","","","1.275","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7153895","6.508","0.001","25.907","0.003","9.134","0.0001","90","","99.33","0.01","90","","1519.6","0.3","198","2","198","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","2","","Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Palladium(ii)-catalysed total synthesis of naturally occurring pyrano[3,2-a]carbazole and pyrano[2,3-b]carbazole alkaloids.","Organic & biomolecular chemistry","2014","12","23","3866","3876","10.1039/c4ob00367e","","x-ray","0.71073","MoKα","","0.0771","0.0428","","","0.0783","0.0904","","","","","","1.065","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153896","6.763","0.001","8.187","0.001","13.881","0.001","90","","91.33","0.01","90","","768.37","0.16","198","2","198","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim","Palladium(ii)-catalysed total synthesis of naturally occurring pyrano[3,2-a]carbazole and pyrano[2,3-b]carbazole alkaloids.","Organic & biomolecular chemistry","2014","12","23","3866","3876","10.1039/c4ob00367e","","x-ray","0.71073","MoKα","","0.0547","0.0386","","","0.0854","0.0936","","","","","","1.045","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153897","7.0995","0.0008","8.0775","0.0009","11.9904","0.0015","89.359","0.004","77.992","0.004","74.584","0.004","647.65","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 F O4 -","- C14 H17 F O4 -","- C28 H34 F2 O8 -","2","1","","Lee, Ji Eun; Kwon, Tae Hui; Gu, Su Jin; Lee, Duck-Hyung; Kim, B. Moon; Lee, Jae Yeol; Lee, Jae Kyun; Seo, Seon Hee; Pae, Ae Nim; Keum, Gyochang; Cho, Yong Seo; Min, Sun-Joon","Efficient synthesis of mibefradil analogues: an insight into in vitro stability.","Organic & biomolecular chemistry","2014","12","30","5669","5681","10.1039/c4ob00504j","","","0.71075","MoKα","","","0.0397","","","","0.1215","","","","","","1.105","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153898","10.8393","0.0005","16.7856","0.0003","42.689","0.002","90","","90","","90","","7767","0.5","100","2","100","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C37 H34 Cl2 F12 N2 O3 Si -","- C37 H34 Cl2 F12 N2 O3 Si -","- C296 H272 Cl16 F96 N16 O24 Si8 -","8","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.1354","0.0656","","","0.1412","0.1651","","","","","","0.971","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153899","8.9169","0.0013","17.351","0.003","17.602","0.003","90","","90","","90","","2723.3","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl2 N2 O3 -","- C30 H30 Cl2 N2 O3 -","- C120 H120 Cl8 N8 O12 -","4","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.152","0.063","","","0.1281","0.1519","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153900","19.3984","0.001","9.6352","0.0005","16.2688","0.0009","90","","108.737","0.002","90","","2879.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","2","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.1482","0.0667","","","0.1537","0.1851","","","","","","0.98","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153901","19.0719","0.0012","5.2738","0.0003","27.2994","0.0014","90","","90.632","0.004","90","","2745.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C120 H144 N16 O24 -","8","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.0948","0.054","","","0.13","0.1456","","","","","","1.042","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153902","6.894","0.002","9.539","0.003","9.718","0.003","80.82","0.011","72.41","0.009","88.45","0.012","601.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N2 O5 S -","- C11 H10 N2 O5 S -","- C22 H20 N4 O10 S2 -","2","1","","Gao, Zhenzhen; Zhang, Lei; Sun, Zhanhu; Yu, Hao; Xiao, Yumei; Guo, Hongchao","DABCO-catalyzed [3 + 2] annulation of sulfamate-derived cyclic imines with isocyanoacetates: synthesis of sulfamate-fused 2-imidazoline.","Organic & biomolecular chemistry","2014","12","30","5691","5697","10.1039/c4ob00840e","","","0.71073","MoKα","","0.0436","0.0425","","","0.1066","0.1075","","","","","","1.116","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153903","12.3807","0.001","10.2922","0.0008","13.3591","0.001","90","","102.839","0.001","90","","1659.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C72 H84 N12 O8 -","4","1","","Ji, Fei; Lv, Mei-Fang; Yi, Wen-Bin; Cai, Chun","One-pot synthesis of 2-amino-4(3H)-quinazolinones via ring-opening of isatoic anhydride and palladium-catalyzed oxidative isocyanide-insertion.","Organic & biomolecular chemistry","2014","12","30","5766","5772","10.1039/c4ob00484a","","","0.71073","MoKα","","0.0546","0.0412","","","0.1086","0.1212","","","","","","1.028","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153904","8.3283","0.001","10.8019","0.0013","10.6819","0.0012","90","","90.74","0.004","90","","960.9","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-1-(tetrahydro-2H-pyran-2-yl)pyrimidin-2(1H)-one","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C36 H52 N12 O8 -","4","1","","Kananovich, Dzmitry G.; Reino, Alli; Ilmarinen, Kaja; Rõõmusoks, Marko; Karelson, Mati; Lopp, Margus","A general approach to the synthesis of 5-S-functionalized pyrimidine nucleosides and their analogues.","Organic & biomolecular chemistry","2014","12","30","5634","5644","10.1039/c4ob00597j","","","0.71073","MoKα","","0.0483","0.0413","","","0.1122","0.1178","","","","","","1.035","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153905","13.2055","0.0012","13.6518","0.0012","14.051","0.0013","71.739","0.001","63.879","0.001","63.428","0.001","2012.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 F2 N2 O5 S2 -","- C42 H36 F2 N2 O5 S2 -","- C84 H72 F4 N4 O10 S4 -","2","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.1361","0.096","","","0.3009","0.336","","","","","","1.025","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153906","13.315","0.003","12.121","0.003","24.851","0.006","90","","100.657","0.003","90","","3941.6","1.6","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C41 H33 F2 N3 O4 S2 -","- C41 H33 F2 N3 O4 S2 -","- C164 H132 F8 N12 O16 S8 -","4","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.0802","0.0506","","","0.1498","0.1648","","","","","","0.971","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153907","28.49","0.002","12.0125","0.001","27.294","0.002","90","","110.977","0.001","90","","8721.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H39 N3 O4 S2 -","- C43 H39 N3 O4 S2 -","- C344 H312 N24 O32 S16 -","8","1","","Li, Lidong; Hu, Qiong; Zhou, Pingping; Xie, Haifeng; Zhang, Xiaorong; Zhang, Hao; Hu, Yadong; Yin, Fei; Hu, Yimin","One-step synthesis of diazaspiro[4.5]decane scaffolds with exocyclic double bonds.","Organic & biomolecular chemistry","2014","12","29","5356","5359","10.1039/c4ob00516c","","","0.71073","MoKα","","0.099","0.0576","","","0.1739","0.1919","","","","","","1.081","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153908","18.3878","0.0011","7.5278","0.0005","26.7776","0.0015","90","","100.221","0.002","90","","3647.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cyclic Trimer of 3-(Diethylborylethynyl)pyridine","","","- C36 H48 B3 N3 O3 -","- C36 H48 B3 N3 O3 -","- C144 H192 B12 N12 O12 -","4","1","","Wakabayashi, Shigeharu; Kuse, Mitsumi; Kida, Aimi; Komeda, Seiji; Tatsumi, Kazuyuki; Sugihara, Yoshikazu","The structure of 3-(diethylborylethynyl)pyridine: a nonplanarly arranged cyclic trimer.","Organic & biomolecular chemistry","2014","12","29","5382","5387","10.1039/c4ob00849a","","","0.71075","MoKα","","0.1137","0.0553","","","0.1425","0.1785","","","","","","1.046","","","","has coordinates","287929","2023-12-01","12:10:10",""
"7153909","9.96379","0.00018","10.04828","0.00018","19.6441","0.0004","90","","90","","90","","1966.75","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O3 Se -","- C24 H16 O3 Se -","- C96 H64 O12 Se4 -","4","1","","Wu, Xiangfei; Shirakawa, Seiji; Maruoka, Keiji","Efficient asymmetric synthesis of spiro-2(3H)-furanones via phase-transfer-catalyzed alkynylation.","Organic & biomolecular chemistry","2014","12","29","5388","5392","10.1039/c4ob00969j","","","1.54187","CuKα","","","0.0541","","","","0.222","","","","","","1.604","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153910","19.6382","0.0007","10.7068","0.0003","21.8503","0.0009","90","","119.245","0.005","90","","4008.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 Br2 Cl2 N8 O4 -","- C41 H36 Br2 Cl2 N8 O4 -","- C164 H144 Br8 Cl8 N32 O16 -","4","0.5","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","0.7107","MoKα","","0.0469","0.0347","","","0.0735","0.0784","","","","","","1.019","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153911","9.1221","0.0002","10.9612","0.0003","12.8679","0.0003","71.798","0.002","79.244","0.002","88.953","0.002","1199.69","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 Br N4 -","- C28 H24 Br N4 -","- C56 H48 Br2 N8 -","2","1","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","1.54184","CuKα","","0.0607","0.0593","","","0.1439","0.1449","","","","","","1.081","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153912","11.4914","0.0004","11.8011","0.0003","13.043","0.0006","90","","107.162","0.005","90","","1690.02","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N4 O2 -","- C20 H16 N4 O2 -","- C80 H64 N16 O8 -","4","1","","Khlebnikov, Alexander F.; Tomashenko, Olesya A.; Funt, Liya D.; Novikov, Mikhail S.","A simple approach to pyrrolylimidazole derivatives by azirine ring expansion with imidazolium ylides.","Organic & biomolecular chemistry","2014","12","34","6598","6609","10.1039/c4ob00865k","","","0.7107","MoKα","","0.0638","0.0436","","","0.0907","0.1171","","","","","","1.124","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153913","12.5878","0.0002","9.3875","0.0002","14.5609","0.0003","90","","98.3672","0.0008","90","","1702.32","0.06","150","","150","","","","","","","","syn","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl N2 O3 -","- C18 H19 Cl N2 O3 -","- C72 H76 Cl4 N8 O12 -","4","1","","Knipe, Peter C.; Smith, Martin D.","Enantioselective one-pot synthesis of dihydroquinolones via BINOL-derived Lewis acid catalysis.","Organic & biomolecular chemistry","2014","12","28","5094","5097","10.1039/c4ob00627e","","","0.71073","MoKα","","0.0572","0.0402","","0.1104","0.0945","0.1104","","","","","","0.9508","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153914","12.552","0.001","8.49","0.001","15.725","0.001","90","","104.14","0.01","90","","1625","0.3","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Hasebein, Peer; Frehland, Bastian; Lehmkuhl, Kirstin; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Synthesis and pharmacological evaluation of like- and unlike-configured tetrahydro-2-benzazepines with the α-substituted benzyl moiety in the 5-position.","Organic & biomolecular chemistry","2014","12","29","5407","5426","10.1039/c4ob00510d","","","0.71073","MoKα","","0.0697","0.0453","","","0.101","0.1108","","","","","","1.041","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153915","5.8931","0.0013","20.199","0.004","11.95","0.003","90","","92.215","0.004","90","","1421.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Fe N4 -","- C17 H14 Fe N4 -","- C68 H56 Fe4 N16 -","4","1","","Sun, Ranfeng; Wang, Huangdong; Hu, Jianfeng; Zhao, Jiudong; Zhang, Hao","Pyridine-phosphinimine ligand-accelerated Cu(i)-catalyzed azide-alkyne cycloaddition for preparation of 1-(pyridin-2-yl)-1,2,3-triazole derivatives.","Organic & biomolecular chemistry","2014","12","31","5954","5963","10.1039/c4ob01176g","","","0.71073","MoKα","","0.0436","0.0344","","","0.0848","0.0897","","","","","","1.034","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153916","10.14509","0.00012","9.34727","0.00009","19.6126","0.0003","90","","101.171","0.0012","90","","1824.61","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H38 Cl2 N3 O6 -","- C39 H38 Cl2 N3 O6 -","- C78 H76 Cl4 N6 O12 -","2","1","","Tang, Zhongkai; Shi, Yan; Mao, Haibin; Zhu, Xuebin; Li, Weipeng; Cheng, Yixiang; Zheng, Wen-Hua; Zhu, Chengjian","Highly enantioselective synthesis of bisoxindoles with two vicinal quaternary stereocenters via Lewis base mediated addition of oxindoles to isatin-derived ketimines.","Organic & biomolecular chemistry","2014","12","32","6085","6088","10.1039/c4ob01039f","","","1.54184","CuKα","","0.0707","0.0694","","","0.1756","0.1772","","","","","","1.02","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153917","5.544","0.0018","23.166","0.008","12.365","0.004","90","","102.769","0.004","90","","1548.8","0.9","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0907","0.0599","","","0.17","0.2225","","","","","","1.123","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153918","6.962","0.002","14.046","0.005","16.346","0.006","90","","95.843","0.004","90","","1590.1","0.9","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0697","0.0588","","","0.1139","0.119","","","","","","1.202","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153919","6.6599","0.0017","21.31","0.005","11.054","0.003","90","","99.174","0.004","90","","1548.7","0.7","118","2","118","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C72 H76 N12 O8 -","4","1","","Murphy, Samantha; Bright, Sandra A.; Poynton, Fergus E.; McCabe, Thomas; Kitchen, Jonathan A.; Veale, Emma B.; Williams, D. Clive; Gunnlaugsson, Thorfinnur","Synthesis, photophysical and cytotoxicity evaluations of DNA targeting agents based on 3-amino-1,8-naphthalimide derived Tröger's bases.","Organic & biomolecular chemistry","2014","12","34","6610","6623","10.1039/c3ob42213e","","","0.71075","MoKα","","0.0845","0.0583","","","0.1641","0.1973","","","","","","1.169","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153920","26.0037","0.0015","10.4097","0.0006","15.2507","0.0009","90","","98.599","0.001","90","","4081.8","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 N S -","- C28 H19 N S -","- C224 H152 N8 S8 -","8","1","","Saito, Takao; Sonoki, Yoshihiko; Otani, Takashi; Kutsumura, Noriki","Triflic acid-promoted cycloisomerization of 2-alkynylphenyl isothiocyanates and isocyanates: a novel synthetic method for a variety of indole derivatives.","Organic & biomolecular chemistry","2014","12","42","8398","8407","10.1039/c4ob00825a","","","0.71073","MoKα","","0.0424","0.0391","","","0.0999","0.1032","","","","","","1.008","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153921","10.8131","0.0016","6.5022","0.001","16.577","0.003","90","","105.352","0.002","90","","1123.9","0.3","291","","291","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Saito, Takao; Sonoki, Yoshihiko; Otani, Takashi; Kutsumura, Noriki","Triflic acid-promoted cycloisomerization of 2-alkynylphenyl isothiocyanates and isocyanates: a novel synthetic method for a variety of indole derivatives.","Organic & biomolecular chemistry","2014","12","42","8398","8407","10.1039/c4ob00825a","","","0.71073","MoKα","","0.0994","0.0659","","","0.1605","0.1829","","","","","","0.895","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153922","38.9202","0.0004","12.316","0.0003","14.8423","0.0006","90","","99.601","0.004","90","","7014.9","0.3","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C41 H31 Cl3 N4 -","- C41 H31 Cl3 N4 -","- C328 H248 Cl24 N32 -","8","2","","Dokládalová, L; Bureš, F; Kuznik, W.; Kityk, I. V.; Wojciechowski, A.; Mikysek, T.; Almonasy, N.; Ramaiyan, M.; Padělková, Z; Kulhánek, J; Ludwig, M.","Dicyanobenzene and dicyanopyrazine derived X-shaped charge-transfer chromophores: comparative and structure-property relationship study.","Organic & biomolecular chemistry","2014","12","29","5517","5527","10.1039/c4ob00901k","","","0.71073","MoKα","","0.1146","0.0763","","","0.1622","0.1892","","","","","","1.168","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153923","12.148","0.0005","13.7149","0.0006","14.8781","0.0012","98.9","0.006","107.234","0.005","108.859","0.004","2152.7","0.3","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H23 Cl N4 -","- C24.5 H23 Cl N4 -","- C98 H92 Cl4 N16 -","4","2","","Dokládalová, L; Bureš, F; Kuznik, W.; Kityk, I. V.; Wojciechowski, A.; Mikysek, T.; Almonasy, N.; Ramaiyan, M.; Padělková, Z; Kulhánek, J; Ludwig, M.","Dicyanobenzene and dicyanopyrazine derived X-shaped charge-transfer chromophores: comparative and structure-property relationship study.","Organic & biomolecular chemistry","2014","12","29","5517","5527","10.1039/c4ob00901k","","","0.71073","MoKα","","0.0725","0.0513","","","0.1166","0.1341","","","","","","1.084","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7153924","9.76204","0.00004","9.76204","0.00004","31.9566","0.0002","90","","90","","90","","3045.38","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 41","P 4w","76","","","","- C34 H34 Cl N3 Ni O4 -","- C34 H34 Cl N3 Ni O4 -","- C136 H136 Cl4 N12 Ni4 O16 -","4","1","","Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Moriwaki, Hiroki; Sato, Tatsunori; Aceña, José Luis; Soloshonok, Vadim A.","Design and synthesis of (S)- and (R)-α-(phenyl)ethylamine-derived NH-type ligands and their application for the chemical resolution of α-amino acids.","Organic & biomolecular chemistry","2014","12","32","6239","6249","10.1039/c4ob00669k","","x-ray","1.54184","CuKα","","0.0263","0.0262","","","0.0698","0.0699","","","","","","1.115","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153925","7.541","0.002","10.227","0.003","10.666","0.003","79.51","0.005","74.206","0.005","70.686","0.005","743.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 I O3 -","- C16 H17 I O3 -","- C32 H34 I2 O6 -","2","1","","Surasani, Seshi Reddy; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Diels-Alder reactions of 4-halo masked o-benzoquinones. Experimental and theoretical investigations.","Organic & biomolecular chemistry","2014","12","30","5656","5668","10.1039/c4ob00856a","","","0.71073","MoKα","","0.0481","0.0466","","","0.1229","0.1243","","","","","","1.188","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153926","10.6073","0.0017","7.7726","0.0013","21.494","0.003","90","","119.15","0.006","90","","1547.7","0.4","240","","240","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br O3 S -","- C16 H17 Br O3 S -","- C64 H68 Br4 O12 S4 -","4","1","","Surasani, Seshi Reddy; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Diels-Alder reactions of 4-halo masked o-benzoquinones. Experimental and theoretical investigations.","Organic & biomolecular chemistry","2014","12","30","5656","5668","10.1039/c4ob00856a","","","0.71073","MoKα","","0.0638","0.0408","","","0.0719","0.0779","","","","","","0.995","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153927","5.9259","0.0003","11.0893","0.0006","12.334","0.0006","79.323","0.003","78.333","0.003","86.45","0.003","779.78","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","6-(4-Methoxyphenyl)-6<i>H</i>-indolo[2,3-b]quinoxaline","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C42 H30 N6 O2 -","2","1","","Hung, Tran Quang; Hoang, Do Huy; Thang, Ngo Ngoc; Dang, Tuan Thanh; Ayub, Khurshid; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Flechsig, Gerd-Uwe; Langer, Peter","Palladium catalyzed synthesis and physical properties of indolo[2,3-b]quinoxalines.","Organic & biomolecular chemistry","2014","12","32","6151","6166","10.1039/c4ob00841c","","","0.71073","MoKα","","0.1439","0.0583","","","0.1007","0.132","","","","","","1.011","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153928","7.3149","0.0003","15.0792","0.0008","16.8977","0.0008","72.116","0.002","88.582","0.002","77.75","0.002","1731.78","0.14","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","6-(3-Phenylpropyl)-6<i>H</i>-indolo[2,3-b]quinoxaline","","- C23 H19 N3 -","- C23 H19 N3 -","- C92 H76 N12 -","4","2","","Hung, Tran Quang; Hoang, Do Huy; Thang, Ngo Ngoc; Dang, Tuan Thanh; Ayub, Khurshid; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Flechsig, Gerd-Uwe; Langer, Peter","Palladium catalyzed synthesis and physical properties of indolo[2,3-b]quinoxalines.","Organic & biomolecular chemistry","2014","12","32","6151","6166","10.1039/c4ob00841c","","","0.71073","MoKα","","0.11","0.0528","","","0.1173","0.145","","","","","","1.025","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153929","10.6","0.004","12.434","0.005","16.898","0.006","90","","90","","90","","2227.2","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 S -","- C24 H25 N O6 S -","- C96 H100 N4 O24 S4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Enantioselective synthesis of γ-tetrasubstituted nitrosulfonyl carboxylates and amides vial-tert-leucine-derived-squaramide catalyzed conjugate addition of nitrosulfones to acrylates and acrylamides.","Organic & biomolecular chemistry","2014","12","33","6425","6431","10.1039/c4ob00344f","","","0.71073","MoKα","","0.0419","0.0381","","","0.0867","0.0885","","","","","","1.032","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153930","9.1435","0.0017","6.0132","0.0011","23.209","0.005","90","","90.53","0.003","90","","1276","0.4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl N O S -","- C13 H14 Cl N O S -","- C52 H56 Cl4 N4 O4 S4 -","4","1","","Stephens, David E.; Chavez, Gabriel; Valdes, Martin; Dovalina, Monica; Arman, Hadi D.; Larionov, Oleg V.","Synthetic and mechanistic aspects of the regioselective base-mediated reaction of perfluoroalkyl- and perfluoroarylsilanes with heterocyclic N-oxides.","Organic & biomolecular chemistry","2014","12","32","6190","6199","10.1039/c4ob01088d","","","0.71073","MoKα","","0.0397","0.0372","","","0.0993","0.1019","","","","","","1.003","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153931","9.1083","0.0018","9.872","0.002","16.583","0.003","90","","101.24","0.03","90","","1462.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 -","- C22 H14 N2 -","- C88 H56 N8 -","4","1","","Gong, Peng; Xue, Pengchong; Qian, Chong; Zhang, Zhenqi; Lu, Ran","Balanced π-π interactions directing the self-assembly of indolocarbazole-based low molecular mass organogelators.","Organic & biomolecular chemistry","2014","12","32","6134","6144","10.1039/c4ob00873a","","","0.71073","MoKα","","0.081","0.0526","","","0.1222","0.1342","","","","","","1.003","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153932","42.672","0.017","14.426","0.006","25.267","0.01","90","","110.3","0.005","90","","14588","10","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H112 Cl4 N4 Pd2 -","- C138 H112 Cl4 N4 Pd2 -","- C552 H448 Cl16 N16 Pd8 -","4","0.5","","Lesieur, Mathieu; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","[Pd(μ-Cl)Cl(IPr*)]2: a highly hindered pre-catalyst for the synthesis of tetra-ortho-substituted biaryls via Grignard reagent cross-coupling.","Organic & biomolecular chemistry","2014","12","30","5586","5589","10.1039/c4ob01269k","","","0.71075","MoKα","","","0.2385","","","","0.5675","","","","","","2.162","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153933","5.9048","0.0014","20.852","0.005","9.218","0.002","90","","94.46","0.004","90","","1131.5","0.5","173.15","","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H24 O2 S -","- C28 H24 O2 S -","- C56 H48 O4 S2 -","2","1","","Liu, Saiwen; Tang, Lichang; Chen, Hui; Zhao, Feng; Deng, Guo-Jun","Iron-catalyzed tetrasubstituted alkene formation from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2014","12","32","6076","6079","10.1039/c4ob00816b","","","0.71073","MoKα","","0.0519","0.0471","","","0.1023","0.1055","","","","","","1.079","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153934","9.694","0.003","9.672","0.003","27.021","0.008","90","","95.745","0.003","90","","2520.8","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O4 S -","- C30 H28 O4 S -","- C120 H112 O16 S4 -","4","1","","Liu, Saiwen; Tang, Lichang; Chen, Hui; Zhao, Feng; Deng, Guo-Jun","Iron-catalyzed tetrasubstituted alkene formation from alkynes and sodium sulfinates.","Organic & biomolecular chemistry","2014","12","32","6076","6079","10.1039/c4ob00816b","","","0.71073","MoKα","","0.079","0.0687","","","0.1406","0.1459","","","","","","1.181","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153935","8.38","0.003","9.942","0.004","19.911","0.007","87.992","0.007","88.509","0.007","72.843","0.007","1583.9","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H31 Cl I N O6 S -","- C34 H31 Cl I N O6 S -","- C68 H62 Cl2 I2 N2 O12 S2 -","2","1","","Wu, Jing; Wang, Dongping; Wang, Haolong; Wu, Fan; Li, Xincheng; Wan, Boshun","Facile synthesis of 5H-benzo[b]carbazol-6-yl ketones via sequential reaction of Cu-catalyzed Friedel-Crafts alkylation, iodine-promoted cyclization, nucleophilic substitution and aromatization.","Organic & biomolecular chemistry","2014","12","35","6806","6811","10.1039/c4ob00815d","","","0.71073","MoKα","","0.0893","0.0499","","","0.1329","0.1837","","","","","","1.002","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153936","6.1142","0.0012","12.283","0.003","5.6061","0.0011","90","","107.7","0.03","90","","401.09","0.16","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 O4 -","- C10 H6 O4 -","- C20 H12 O8 -","2","0.5","","Korshin, Edward E.; Leitus, Gregory M.; Bendikov, Michael","Convenient access to readily soluble symmetrical dialkyl-substituted α-oligofurans.","Organic & biomolecular chemistry","2014","12","34","6661","6671","10.1039/c4ob00898g","","","0.71073","MoKα","","0.0421","0.0365","","","0.1062","0.1124","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153937","17.4725","0.001","8.0638","0.0004","24.9462","0.0014","90","","109.224","0.001","90","","3318.8","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C144 H144 Br8 N8 O16 -","8","2","","Wei, Enxiang; Liu, Bing; Lin, Shaoxia; Liang, Fushun","Multicomponent reaction of chalcones, malononitrile and DMF leading to γ-ketoamides.","Organic & biomolecular chemistry","2014","12","33","6389","6392","10.1039/c4ob00971a","","","0.71073","MoKα","","0.0642","0.0409","","","0.0903","0.0994","","","","","","0.989","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153938","19.6835","0.0002","8.2719","0.0001","31.373","0.0003","90","","90","","90","","5108.15","0.09","290","2","290","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H36 Cl N2 Ni P -","- C26 H36 Cl N2 Ni P -","- C208 H288 Cl8 N16 Ni8 P8 -","8","2","","Wu, Dan; Wang, Zhong-Xia","P,N,N-Pincer nickel-catalyzed cross-coupling of aryl fluorides and chlorides.","Organic & biomolecular chemistry","2014","12","33","6414","6424","10.1039/c4ob01041h","","","1.54184","CuKα","","0.0326","0.0311","","","0.084","0.0856","","","","","","1.033","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153939","8.4396","0.0006","10.7479","0.0007","11.8458","0.0007","104.955","0.006","96.292","0.005","96.603","0.005","1020.31","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C50 H42 N2 O8 -","2","1","","Sakthivel, Karuppusamy; Srinivasan, Kannupal","Synthesis of 3,3-disubstituted-2,3-dihydroazanaphthoquinones via simultaneous alkyne oxidation and nitrile hydration of ortho-alkynylarenenitriles.","Organic & biomolecular chemistry","2014","12","33","6440","6446","10.1039/c4ob00852a","","","0.71073","MoKα","","0.1113","0.0558","","","0.117","0.1386","","","","","","1.015","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153940","8.7172","0.0013","9.5695","0.0016","26.86","0.005","88.821","0.007","89.825","0.009","71.559","0.006","2125.1","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","3-CH3C(O)NH-TtBuCorrCu","","","- C51 H50 Cu N5 O -","- C51 H50 Cu N5 O -","- C102 H100 Cu2 N10 O2 -","2","1","","Stefanelli, M.; Mancini, M.; Raggio, M.; Nardis, S.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","3-NO2-5,10,15-triarylcorrolato-Cu as a versatile platform for synthesis of novel 3-functionalized corrole derivatives.","Organic & biomolecular chemistry","2014","12","32","6200","6207","10.1039/c4ob01247j","","","1.54178","CuKα","","0.0759","0.0727","","","0.1866","0.1892","","","","","","1.059","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153941","9.167","0.0002","13.2568","0.0003","15.2701","0.0004","90","","90","","90","","1855.7","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N3 O3 -","- C21 H27 N3 O3 -","- C84 H108 N12 O12 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","1.54178","CuKα","","0.045","0.0449","","","0.1232","0.1236","","","","","","1.042","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153942","7.3581","0.0012","9.136","0.0016","23.005","0.004","90","","90","","90","","1546.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl N2 O4 -","- C17 H17 Cl N2 O4 -","- C68 H68 Cl4 N8 O16 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","0.71073","MoKα","","0.0329","0.0284","","","0.068","0.0702","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153943","6.8411","0.0003","12.9417","0.0006","16.7006","0.0008","90","","90","","90","","1478.6","0.12","175","2","175","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","1.54178","CuKα","","0.0541","0.054","","","0.132","0.132","","","","","","1.106","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153944","8.1091","0.0002","11.2247","0.0003","11.0425","0.0004","90","","106.116","0.001","90","","965.61","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17.9 H27.58 Br2 N2 O1.9 -","- C17.888 H27.552 Br2 N2 O1.888 -","- C35.776 H55.104 Br4 N4 O3.776 -","2","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","0.71073","MoKα","","0.0412","0.0393","","","0.104","0.1051","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153945","30.245","0.006","14.537","0.003","10.379","0.002","90","","90","","90","","4563.4","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 B N O4 S -","- C22 H28 B N O4 S -","- C176 H224 B8 N8 O32 S8 -","8","1","","He, Guangke; Chen, Shan; Wang, Qiang; Huang, Hai; Zhang, Qijun; Zhang, Dongming; Zhang, Rong; Zhu, Hongjun","Studies on copper(i)-catalyzed highly regio- and stereo-selective hydroboration of alkynamides.","Organic & biomolecular chemistry","2014","12","31","5945","5953","10.1039/c4ob00979g","","","0.71073","MoKα","","0.1949","0.068","","","0.1238","0.1719","","","","","","1.002","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153946","12.1328","0.0011","13.7151","0.0015","10.0433","0.0007","90","","90","","90","","1671.2","0.3","290","2","290","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C13 H13 Br Cl3 N O2 -","- C13 H13 Br Cl3 N O2 -","- C52 H52 Br4 Cl12 N4 O8 -","4","1","","Zhu, Rui; Yu, Kai; Gu, Zhenhua","N-Bromoacetamide-mediated domino cyclization and elimination of homoallylic trichloroacetimidates: a novel approach toward the synthesis of 1-bromo-2-amino-3-butene derivatives.","Organic & biomolecular chemistry","2014","12","34","6653","6660","10.1039/c4ob01126k","","","1.54184","CuKα","","0.0715","0.0596","","","0.1598","0.1768","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153947","9.6034","0.0005","15.7805","0.0008","19.7861","0.001","90","","90","","90","","2998.5","0.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(1R,3aS,6R,6aR)-1-(2-bromophenyl)-6-phenyl-hexahydrofuro[3,4-c]furan","","- C18 H17 Br O2 -","- C18 H17 Br O2 -","- C144 H136 Br8 O16 -","8","1","","Subba Reddy, B. V.; Ramana Reddy, M.; Sridhar, B.; Singarapu, Kiran Kumar","Acetal-initiated Prins bicyclization for the synthesis of hexahydrofuro-[3,4-c]furan lignans and octahydropyrano[3,4-c]pyran derivatives.","Organic & biomolecular chemistry","2014","12","26","4754","4762","10.1039/c4ob00305e","","","0.71073","MoKα","","0.0405","0.0314","","","0.0824","0.0903","","","","","","1.082","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153948","11.211","0.0012","16.7616","0.0018","18.3398","0.0019","90","","90","","90","","3446.3","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4aS,8S,8aS)-1-(2-bromophenyl)-8-phenyl-octahydropyrano[3,4-c]pyran","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C160 H168 Br8 O16 -","8","2","","Subba Reddy, B. V.; Ramana Reddy, M.; Sridhar, B.; Singarapu, Kiran Kumar","Acetal-initiated Prins bicyclization for the synthesis of hexahydrofuro-[3,4-c]furan lignans and octahydropyrano[3,4-c]pyran derivatives.","Organic & biomolecular chemistry","2014","12","26","4754","4762","10.1039/c4ob00305e","","","0.71073","MoKα","","0.0431","0.0344","","","0.0881","0.0912","","","","","","0.974","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153949","8.856","0.001","13.861","0.001","10.868","0.001","90","","92.41","0.01","90","","1332.9","0.2","293","2","293","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Gassner, Cemena; Hesse, Ronny; Schmidt, Arndt W.; Knölker, Hans-Joachim","Total synthesis of the cyclic monoterpenoid pyrano[3,2-a]carbazole alkaloids derived from 2-hydroxy-6-methylcarbazole.","Organic & biomolecular chemistry","2014","12","33","6490","6499","10.1039/c4ob01151a","","x-ray","0.71073","MoKα","","0.0556","0.0436","","","0.1205","0.1318","","","","","","1.063","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153950","11.9849","0.0008","8.8043","0.0006","14.3967","0.001","90","","93.67","0.002","90","","1516.01","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br N O2 -","- C18 H14 Br N O2 -","- C72 H56 Br4 N4 O8 -","4","1","","Wei, Lai; Liu, Lu; Zhang, Junliang","Scandium-catalyzed tandem selective oxirane ring-opening/Friedel-Crafts alkylation: a facile access to [1,4]oxazino[4,3-a]indoles and 3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazines.","Organic & biomolecular chemistry","2014","12","35","6869","6877","10.1039/c4ob01057d","","","0.71073","MoKα","","0.052","0.0375","","","0.0923","0.1024","","","","","","1.021","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153951","6.668","0.0016","19.172","0.003","14.717","0.002","90","","96.264","0.019","90","","1870.2","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N -","- C17 H13 N -","- C102 H78 N6 -","6","1.5","","Gong, Liang; Xing, Li-Juan; Xu, Tong; Zhu, Xue-Ping; Zhou, Wen; Kang, Ning; Wang, Bin","Metal-free oxidative olefination of primary amines with benzylic C-H bonds through direct deamination and C-H bond activation.","Organic & biomolecular chemistry","2014","12","34","6557","6560","10.1039/c4ob01025f","","","0.71075","MoKα","","0.0751","0.0723","","","0.152","0.1536","","","","","","1.235","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7153952","11.1108","0.00007","14.8838","0.0001","17.8512","0.0001","90","","90.9022","0.0006","90","","2951.7","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O16 -","- C32 H30 O16 -","- C128 H120 O64 -","4","2","","Wu, Hao Chen; Ge, Hui Ming; Zang, Le Yun; Bei, Yun Cheng; Niu, Zhi Yuan; Wei, Wei; Feng, Xiu Jing; Ding, Sen; Ng, Seik Weng; Shen, Ping Ping; Tan, Ren Xiang","Diaporine, a novel endophyte-derived regulator of macrophage differentiation.","Organic & biomolecular chemistry","2014","12","34","6545","6548","10.1039/c4ob01123f","","","1.54184","CuKα","","0.0273","0.027","","","0.073","0.0733","","","","","","1.017","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153953","15.769","0.003","18.047","0.003","18.752","0.003","102.985","0.003","91.397","0.002","91.223","0.003","5196.5","1.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H107 F12 N8 O14 P2 S2 -","- C89 H107 F12 N8 O14 P2 S2 -","- C178 H214 F24 N16 O28 P4 S4 -","2","1","","Hu, Fang; Huang, Juanyun; Cao, Meijiao; Chen, Zhao; Yang, Ying-Wei; Liu, Sheng Hua; Yin, Jun","Dithienylethene-based rotaxanes: synthesis, characterization and properties.","Organic & biomolecular chemistry","2014","12","39","7712","7720","10.1039/c4ob01213e","","","0.71073","MoKα","","0.129","0.0698","","","0.1945","0.2242","","","","","","0.926","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153954","10.812","0.003","11.923","0.003","18.961","0.005","90","","93.509","0.009","90","","2439.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 N O4 S -","- C25 H29 N O4 S -","- C100 H116 N4 O16 S4 -","4","1","","Saikia, Anil K.; Indukuri, Kiran; Das, Jagadish","Stereoselective synthesis of O-tosyl azabicyclic derivatives via aza Prins reaction of endocyclic N-acyliminium ions: application to the total synthesis of (±)-epi-indolizidine 167B and 209D.","Organic & biomolecular chemistry","2014","12","36","7026","7035","10.1039/c4ob01130a","","","0.71073","MoKα","","0.0674","0.0467","","","0.1265","0.1433","","","","","","0.949","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153955","15.7738","0.0007","7.7296","0.0004","17.0325","0.0007","90","","104.216","0.005","90","","2013.1","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Xue, Pengchong; Yao, Boqi; Zhang, Yuan; Chen, Peng; Li, Kechang; Liu, Baijun; Lu, Ran","A large dipole moment to promote gelation for 4-nitrophenylacrylonitrile derivatives with gelation-induced emission enhancement properties.","Organic & biomolecular chemistry","2014","12","36","7110","7118","10.1039/c4ob00768a","","","0.71073","MoKα","","0.0853","0.0514","","","0.1035","0.1254","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153956","8.1838","0.0006","8.4093","0.0006","18.4956","0.0015","83.381","0.007","77.526","0.004","63.273","0.005","1109.8","0.15","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N4 O7 -","- C23 H26 N4 O7 -","- C46 H52 N8 O14 -","2","1","","Bourgault, Jean Paul; Maddirala, Amarendar Reddy; Andreana, Peter R.","A one-pot multicomponent coupling/cyclization for natural product herbicide (±)-thaxtomin A.","Organic & biomolecular chemistry","2014","12","41","8125","8127","10.1039/c4ob01148a","","","1.54178","CuKα","","0.0482","0.0406","","","0.1042","0.1097","","","","","","1.041","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7153957","13.4151","0.0003","11.3424","0.0003","14.8403","0.0003","90","","111.247","0.001","90","","2104.61","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","()-Thaxtomin A","","- C22.2 H22.8 N4 O6.2 -","- C22 H21.3 N4.4 O6 -","- C88 H85.2 N17.6 O24 -","4","1","","Bourgault, Jean Paul; Maddirala, Amarendar Reddy; Andreana, Peter R.","A one-pot multicomponent coupling/cyclization for natural product herbicide (±)-thaxtomin A.","Organic & biomolecular chemistry","2014","12","41","8125","8127","10.1039/c4ob01148a","","","1.54178","CuKα","","0.0431","0.0417","","","0.1095","0.1106","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153958","10.3575","0.0002","10.0578","0.0003","26.8362","0.0007","90","","97.191","0.001","90","","2773.64","0.12","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C104 H160 O40 -","8","2","","Mondal, Soumik; Sureshan, Kana M.","Total syntheses and structural validation of lincitol A, lincitol B, uvacalol I, uvacalol J, and uvacalol K.","Organic & biomolecular chemistry","2014","12","37","7279","7289","10.1039/c4ob01329h","","","0.71073","MoKα","","0.0507","0.0409","","","0.1154","0.1236","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153959","11.2697","0.00015","5.81937","0.00007","16.56046","0.00018","90","","99.6391","0.0011","90","","1070.74","0.02","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C48 H52 Si4 -","2","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0352","0.0327","","","0.0937","0.0963","","","","","","1.063","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153960","23.6928","0.0002","8.6313","0.0001","24.1592","0.0002","90","","117.042","0.0005","90","","4400.4","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Si2 -","- C24 H26 Si2 -","- C192 H208 Si16 -","8","2","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.71073","MoKα","","0.0395","0.0335","","","0.0936","0.098","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153961","10.93715","0.00019","11.26203","0.00016","9.96535","0.00016","90","","105.935","0.0017","90","","1180.31","0.03","100.01","0.15","100.01","0.15","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 -","- C18 H10 -","- C72 H40 -","4","1","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0489","0.0428","","","0.1229","0.1277","","","","","","1.068","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153962","11.4064","0.0002","6.07068","0.00012","16.7481","0.0004","90","","104.563","0.002","90","","1122.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Sn2 -","- C24 H26 Sn2 -","- C48 H52 Sn4 -","2","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.026","0.0225","","","0.0532","0.0558","","","","","","1.068","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153963","15.3809","0.0003","15.4149","0.0003","21.7315","0.0004","80.6982","0.0015","74.6369","0.0017","86.9597","0.0015","4902.7","0.17","99.99","0.1","99.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C25.5 H29.5 Sn2 -","- C25.5 H29.5 Sn2 -","- C204 H236 Sn16 -","8","4","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.7107","MoKα","","0.0311","0.0238","","","0.0465","0.049","","","","","","1.032","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7153964","8.564","0.003","10.244","0.004","12.957","0.005","79.45","0.03","82.013","0.015","76.34","0.011","1080.4","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H52 Si4 -","- C48 H52 Si4 -","- C48 H52 Si4 -","1","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","1.54178","CuKα","","0.035","0.0335","","","0.0901","0.0912","","","","","","1.062","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153965","7.5761","0.0006","10.0339","0.0008","12.7454","0.0008","110.973","0.005","99.303","0.005","101.673","0.004","856.46","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 Cl4 Si2 -","- C38 H32 Cl4 Si2 -","- C38 H32 Cl4 Si2 -","1","0.5","","Lamm, Jan-Hendrik; Glatthor, Johanna; Weddeling, Jan-Henrik; Mix, Andreas; Chmiel, Jasmin; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Polyalkynylanthracenes - syntheses, structures and their behaviour towards UV irradiation.","Organic & biomolecular chemistry","2014","12","37","7355","7365","10.1039/c4ob00735b","","","0.71073","MoKα","","0.0398","0.0347","","","0.0876","0.0915","","","","","","1.039","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153966","6.121","0.005","30.224","0.005","8.524","0.005","90","0.005","104.105","0.005","90","0.005","1529.4","1.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Fe N O -","- C19 H17 Fe N O -","- C76 H68 Fe4 N4 O4 -","4","1","","Teng, Qiang; Hu, Jianfeng; Ling, Li; Sun, Ranfeng; Dong, Junyang; Chen, Shufeng; Zhang, Hao","Copper-catalyzed direct alkylation of 1,3-azoles with N-tosylhydrazones bearing a ferrocenyl group: a novel method for the synthesis of ferrocenyl-based ligands.","Organic & biomolecular chemistry","2014","12","39","7721","7727","10.1039/c4ob01093k","","","0.71073","MoKα","","0.0997","0.0965","","","0.1923","0.1937","","","","","","1.14","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153967","38.7","1","9.0001","0.0013","33.32","0.0003","90","","109.69","","90","","10927","3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H100 Br2 N8 Ni2 -","- C96 H100 Br2 N8 Ni2 -","- C384 H400 Br8 N32 Ni8 -","4","1","","Feng, Chuan-Mi; Zhu, Yi-Zhou; Zang, Yun; Tong, Yu-Zhang; Zheng, Jian-Yu","Switchable regioselectivity in the PIFA-BF3·Et2O mediated oxidative coupling of meso-brominated Ni(ii) porphyrin.","Organic & biomolecular chemistry","2014","12","36","6990","6993","10.1039/c4ob01517g","","","0.71073","MoKα","","0.141","0.0994","","","0.2754","0.309","","","","","","1.023","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153968","11.4323","0.0013","9.4544","0.001","11.5317","0.0013","90","","107.545","0.002","90","","1188.4","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O9 -","- C23 H32 O9 -","- C46 H64 O18 -","2","1","","Pazos, G.; Pérez, M; Gándara, Z; Gómez, G; Fall, Y.","Synthesis of a chiral building block for highly functionalized polycyclic ethers.","Organic & biomolecular chemistry","2014","12","39","7750","7757","10.1039/c4ob01439a","","","0.71073","MoKα","","0.1185","0.087","","","0.2557","0.2876","","","","","","1.067","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153969","8.2827","0.0003","8.325","0.0003","15.0662","0.0007","98.787","0.002","93.426","0.002","114.758","0.002","923.4","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C44 H38 N2 O8 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0546","0.0439","","","0.1041","0.1119","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153970","13.687","0.0005","8.3874","0.0003","17.8893","0.0006","90","","112.109","0.002","90","","1902.66","0.12","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0895","0.058","","","0.1486","0.1798","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153971","8.1294","0.0004","8.2212","0.0004","19.5982","0.001","87.31","0.002","87.214","0.002","82.233","0.002","1295.19","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N2 O5 S -","- C29 H26 N2 O5 S -","- C58 H52 N4 O10 S2 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71073","MoKα","","0.0641","0.0423","","","0.1057","0.1182","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153972","7.44","0.005","10.513","0.007","13.472","0.009","83.084","0.017","86.07","0.02","86.796","0.018","1042.4","1.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O7 S -","- C22 H23 N O7 S -","- C44 H46 N2 O14 S2 -","2","1","","Gharpure, Santosh J.; Prasath, V.","Stereoselective synthesis of C-fused pyranoindoles, pyranobenzofurans and pyranobenzothiophene scaffolds using oxa-Pictet-Spengler type reaction of vinylogous carbonates.","Organic & biomolecular chemistry","2014","12","37","7397","7409","10.1039/c4ob01387e","","","0.71075","MoKα","","","0.0769","","","","0.1773","","","","","","1.239","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153973","6.2466","0.0004","6.8285","0.0006","16.0444","0.0015","90","","94.122","0.008","90","","682.6","0.1","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O5 -","- C12 H22 O5 -","- C24 H44 O10 -","2","1","","Ma, Xiaofeng; Tang, Qin; Ke, Jun; Zhang, Jichao; Yang, Xinglong; Shen, Xudong; Shao, Huawu","A neighboring group participation strategy: direct and highly diastereoselective synthesis of 2-substituted and 2,2-bisubstituted perhydrofuro[2,3-b]pyran derivatives.","Organic & biomolecular chemistry","2014","12","37","7381","7388","10.1039/c4ob00642a","","","0.7107","MoKα","","0.1057","0.0748","","","0.1934","0.2271","","","","","","1.064","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153974","6.7501","0.0005","17.4344","0.0013","19.5104","0.0014","90","","90","","90","","2296.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydroxy Pyrrolidine","","","- C21 H31 N O7 S -","- C21 H31 N O7 S -","- C84 H124 N4 O28 S4 -","4","1","","Tiwari, Dipak Kumar; Bharadwaj, Kishor Chandra; Puranik, Vedavati G.; Tiwari, Dharmendra Kumar","Divergent total synthesis of 1,6,8a-tri-epi-castanospermine and 1-deoxy-6,8a-di-epi-castanospermine from substituted azetidin-2-one (β-lactam), involving a cascade sequence of reactions as a key step.","Organic & biomolecular chemistry","2014","12","37","7389","7396","10.1039/c4ob00948g","","","0.71073","MoKα","","0.0739","0.0448","","","0.0997","0.111","","","","","","1.024","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153975","12.1519","0.0004","13.1631","0.0004","13.3186","0.0004","90","","99.585","0.001","90","","2100.66","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 N2 O3 P Ru -","- C20 H29 N2 O3 P Ru -","- C80 H116 N8 O12 P4 Ru4 -","4","1","","Profir, Irina; Beller, Matthias; Fleischer, Ivana","Novel ruthenium-catalyst for hydroesterification of olefins with formates.","Organic & biomolecular chemistry","2014","12","36","6972","6976","10.1039/c4ob01246a","","","0.71073","MoKα","","0.0195","0.0172","","","0.0439","0.0457","","","","","","1.057","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153976","7.9952","0.0015","6.8431","0.0013","12.251","0.002","90","","93.085","0.004","90","","669.3","0.2","120","2","120.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","2,6-dimethyl-4-(Bpin)-pyridine","","","- C13 H20 B N O2 -","- C13 H20 B N O2 -","- C26 H40 B2 N2 O4 -","2","0.5","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.062","0.0546","","","0.1382","0.1432","","","","","","1.077","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153977","6.5381","0.0004","21.3579","0.0012","9.4192","0.0005","90","","93.137","0.002","90","","1313.33","0.13","120","2","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2,3-Dichloro-5-(Bpin)-pyridine","","","- C11 H14 B Cl2 N O2 -","- C11 H14 B Cl2 N O2 -","- C44 H56 B4 Cl8 N4 O8 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0411","0.0313","","","0.0782","0.0826","","","","","","1.055","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153978","7.476","0.0006","20.8897","0.0014","23.5283","0.0017","90","","90","","90","","3674.4","0.5","120","2","120.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-methyl-4-phenyl-pyridine","","- C12 H11 N -","- C12 H11 N -","- C192 H176 N16 -","16","2","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0678","0.0391","","","0.0942","0.1069","","","","","","1.007","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153979","11.2252","0.0016","15.438","0.002","7.6917","0.0012","90","","107.874","0.004","90","","1268.6","0.3","120","2","120.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-4-naphthalen-1-yl-pyridine","","- C17 H15 N -","- C17 H15 N -","- C68 H60 N4 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0885","0.0452","","","0.1063","0.1215","","","","","","0.905","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153980","20.849","0.004","6.6532","0.0012","15.874","0.003","90","","90","","90","","2201.9","0.7","120","2","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","4,4'-bis(Bpin)-2,2'-bipyridine","","- C22 H30 B2 N2 O4 -","- C22 H30 B2 N2 O4 -","- C88 H120 B8 N8 O16 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.1096","0.0693","","","0.1501","0.1724","","","","","","1.029","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153981","7.1352","0.0019","12.292","0.003","11.175","0.003","90","","94.168","0.004","90","","977.5","0.4","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-dimethy-5-thiophen-2-yl-pyrazine","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C40 H40 N8 S4 -","4","1","","Sadler, Scott A.; Tajuddin, Hazmi; Mkhalid, Ibraheem A. I.; Batsanov, Andrei S.; Albesa-Jove, David; Cheung, Man Sing; Maxwell, Aoife C.; Shukla, Lena; Roberts, Bryan; Blakemore, David C.; Lin, Zhenyang; Marder, Todd B.; Steel, Patrick G.","Iridium-catalyzed C-H borylation of pyridines.","Organic & biomolecular chemistry","2014","12","37","7318","7327","10.1039/c4ob01565g","","","0.71073","MoKα","","0.0482","0.0372","","","0.1006","0.1076","","","","","","1.103","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153982","5.6994","0.0004","12.1727","0.0008","13.5102","0.0009","73.506","0.003","88.323","0.004","89.037","0.004","898.31","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N3 O6 -","- C16 H25 N3 O6 -","- C32 H50 N6 O12 -","2","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.0511","0.0383","","","0.0957","0.1043","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153983","8.6327","0.0004","8.4467","0.0004","24.0094","0.0012","90","","95.597","0.003","90","","1742.37","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N3 O6 -","- C15 H25 N3 O6 -","- C60 H100 N12 O24 -","4","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.055","0.0423","","","0.1087","0.1168","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153984","12.2285","0.0009","8.4147","0.0006","18.9773","0.0015","90","","104.836","0.004","90","","1887.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C68 H108 N12 O24 -","4","1","","Wang, Shuo; Aston, Karl; Koeller, Kevin J.; Harris, G. Davis; Rath, Nigam P.; Bashkin, James K.; Wilson, W. David","Modulation of DNA-polyamide interaction by β-alanine substitutions: a study of positional effects on binding affinity, kinetics and thermodynamics.","Organic & biomolecular chemistry","2014","12","38","7523","7536","10.1039/c4ob01456a","","","0.71073","MoKα","","0.0652","0.0391","","","0.0888","0.1018","","","","","","1.022","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153985","7.7003","0.0006","8.1539","0.0007","16.0222","0.0013","90","","91.409","0.003","90","","1005.69","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H31 N O4 -","- C21 H31 N O4 -","- C42 H62 N2 O8 -","2","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.0637","0.0448","","","0.101","0.1113","","","","","","1.028","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153986","11.8362","0.0005","12.2518","0.0005","19.0137","0.0007","90","","90","","90","","2757.27","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Cl3 N O5 -","- C26 H38 Cl3 N O5 -","- C104 H152 Cl12 N4 O20 -","4","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.1166","0.0955","","","0.2488","0.272","","","","","","1.073","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153987","6.8794","0.0005","14.9305","0.001","22.2706","0.0015","90","","90","","90","","2287.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O4 -","- C25 H37 N O4 -","- C100 H148 N4 O16 -","4","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.0713","0.0437","","","0.0867","0.0992","","","","","","1.027","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153988","14.4314","0.0017","8.8602","0.001","19.841","0.002","90","","100.647","0.002","90","","2493.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Br N3 O6 S2 -","- C24 H24 Br N3 O6 S2 -","- C96 H96 Br4 N12 O24 S8 -","4","1","","Zhou, Jing; Yeung, Ying-Yeung","Diastereoselective synthesis of functionalized pyrrolidines through N-bromosuccinimide-induced aziridine ring expansion cascade of cinnamylaziridine.","Organic & biomolecular chemistry","2014","12","38","7482","7485","10.1039/c4ob01384k","","","0.71073","MoKα","","0.1134","0.0653","","","0.1479","0.1682","","","","","","1.049","","","","has coordinates,has disorder","180325","2020-10-21","18:00:00",""
"7153992","7.028","0.0011","12.5922","0.0019","14.037","0.002","90","","90","","90","","1242.2","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5R,6S,7R)-7-methyl-3-phenyl-4,5,6,7-tetrahydro-[1,2,3]triazolo [1,5-a]pyridine-4,5,6-triol","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","","Putapatri, Siddamal Reddy; Kanwal, Abhinav; Sridhar, Balasubramanian; Banerjee, Sanjay K.; Kantevari, Srinivas","Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors.","Organic & biomolecular chemistry","2014","12","42","8415","8421","10.1039/c4ob01319k","","","0.71073","MoKα","","0.0286","0.0277","","","0.072","0.0727","","","","","","1.06","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153993","7.555","0.0005","11.987","0.0008","15.0918","0.0011","90","","90","","90","","1366.74","0.16","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5R,6S,7R)-7-methyl-3-p-tolyl-4,5,6,7-tetrahydro-[1,2,3]triazolo[1,5-a] pyridine-4,5,6-triol","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","","Putapatri, Siddamal Reddy; Kanwal, Abhinav; Sridhar, Balasubramanian; Banerjee, Sanjay K.; Kantevari, Srinivas","Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors.","Organic & biomolecular chemistry","2014","12","42","8415","8421","10.1039/c4ob01319k","","","0.71073","MoKα","","0.0291","0.0282","","","0.0717","0.0725","","","","","","1.083","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153994","8.8993","0.0006","22.5466","0.0014","8.191","0.0005","90","","108.827","0.003","90","","1555.58","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.0401","0.035","","","0.089","0.0931","","","","","","1.032","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153995","8.91","0.003","9.482","0.003","14.09","0.005","101.315","0.016","101.159","0.016","110.48","0.017","1048","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cl3 N O2 -","- C22 H18 Cl3 N O2 -","- C44 H36 Cl6 N2 O4 -","2","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.1051","0.0675","","","0.1197","0.1362","","","","","","1.162","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153996","15.1024","0.0009","14.8289","0.0008","11.8933","0.0007","90","","105.668","0.0017","90","","2564.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N2 O5 -","- C27 H34 N2 O5 -","- C108 H136 N8 O20 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; Babu, K. Naresh; Sharique, Mohd; Biswas, Soumava; Bisai, Alakesh","Friedel-Crafts alkylations of electron-rich aromatics with 3-hydroxy-2-oxindoles: scope and limitations.","Organic & biomolecular chemistry","2014","12","41","8152","8173","10.1039/c4ob01264j","","","0.71073","MoKα","","0.0437","0.0388","","","0.1415","0.1477","","","","","","1.291","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153997","6.627","0.0003","7.9739","0.0003","32.9949","0.0014","90","","90","","90","","1743.55","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl N O4 -","- C19 H18 Cl N O4 -","- C76 H72 Cl4 N4 O16 -","4","1","","Takahashi, Masaki; Murata, Yusuke; Ishida, Masahiro; Yagishita, Fumitoshi; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Catalytic amide allylation of α-ketoesters: extremely high enantioselective synthesis of ester functionalised α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2014","12","39","7686","7689","10.1039/c4ob01508h","","","1.54178","CuKα","","0.0417","0.04","","","0.1097","0.1107","","","","","","1.026","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153998","8.9358","0.0018","9.326","0.002","12.002","0.003","106.67","0.003","101.817","0.004","93.1","0.004","931","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Br Cl2 N2 O2 S -","- C17 H13 Br Cl2 N2 O2 S -","- C34 H26 Br2 Cl4 N4 O4 S2 -","2","1","","Liu, Xiaozu; Hu, Qinghong; Yuan, Zeli; Liu, Peijun","AcOH-mediated dichloroimination of indoles using chloramine-B: a facile access to 2,3-functionalized indolines.","Organic & biomolecular chemistry","2014","12","38","7494","7497","10.1039/c4ob01179a","","","0.71073","MoKα","","0.0941","0.077","","","0.226","0.2417","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153999","6.255","0.0018","18.15","0.0012","16.43","0.0012","90","","96.804","0.003","90","","1852.1","0.6","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H14 F5 N O2 S2 -","- C12 H14 F5 N O2 S2 -","- C48 H56 F20 N4 O8 S8 -","4","2","","Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Generalized access to fluorinated β-keto amino compounds through asymmetric additions of α,α-difluoroenolates to CF3-sulfinylimine.","Organic & biomolecular chemistry","2014","12","39","7836","7843","10.1039/c4ob01575d","","","0.71073","MoKα","","0.0593","0.0562","","","0.136","0.1362","","","","","","1.091","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7154000","8.3228","0.0008","8.8321","0.0009","10.8845","0.0011","86.924","0.003","69.716","0.002","76.474","0.003","729.33","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C38 H28 O6 -","2","1","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.061","0.0521","","","0.1588","0.1764","","","","","","1.096","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154001","9.5269","0.0006","10.7294","0.0007","17.4823","0.0013","90","","90","","90","","1787","0.2","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.0361","0.0322","","","0.0798","0.0832","","","","","","1.044","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154002","5.8687","0.0003","10.7289","0.0006","27.8199","0.0012","90","","95.947","0.003","90","","1742.24","0.15","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 I N O6 -","- C19 H14 I N O6 -","- C76 H56 I4 N4 O24 -","4","2","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.1246","0.1087","","","0.3129","0.329","","","","","","1.141","","","","has coordinates,has disorder","182989","2020-10-21","18:00:00",""
"7154003","8.2342","0.0002","37.9905","0.0008","10.4703","0.0002","90","","90.591","0.001","90","","3275.16","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 I O2 -","- C19 H15 I O2 -","- C152 H120 I8 O16 -","8","2","","Janreddy, Donala; Kavala, Veerababurao; Kotipalli, Trimurtulu; Rajawinslin, R. R.; Kuo, Chun-Wei; Huang, Wen-Chang; Yao, Ching-Fa","Molecular iodine-mediated reaction of 2-(2-phenylethynyl)-Morita-Baylis-Hillman adducts: an easy route to naphthyl ketones and iodo-substituted isochromenes.","Organic & biomolecular chemistry","2014","12","41","8247","8256","10.1039/c4ob00938j","","","0.71073","MoKα","","0.0342","0.0292","","","0.0863","0.1067","","","","","","1.321","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154004","13.1132","0.0016","7.6905","0.0009","28.214","0.004","90","","103.057","0.002","90","","2771.7","0.6","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C136 H96 O24 S8 -","8","2","","Akiyama, Hirotaka; Inoue, Takafumi; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Multiple optical properties of a naphthoquinone pigment: 2-methyl-3-(hydroxyphenylthio)-1,4-naphthalenedione.","Organic & biomolecular chemistry","2014","12","40","7965","7970","10.1039/c4ob01058b","","","0.71073","MoKα","","0.0706","0.0624","","","0.1785","0.1842","","","","","","1.107","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154005","10.9","0.003","5.5397","0.0012","11.358","0.003","90","","100.555","0.004","90","","674.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 O3 S -","- C17 H12 O3 S -","- C34 H24 O6 S2 -","2","1","","Akiyama, Hirotaka; Inoue, Takafumi; Tajima, Nobuo; Kuroda, Reiko; Imai, Yoshitane","Multiple optical properties of a naphthoquinone pigment: 2-methyl-3-(hydroxyphenylthio)-1,4-naphthalenedione.","Organic & biomolecular chemistry","2014","12","40","7965","7970","10.1039/c4ob01058b","","","0.71075","MoKα","","0.0406","0.0392","","","0.0917","0.0924","","","","","","1.042","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154006","7.6999","0.0005","8.0494","0.0006","9.507","0.0007","104.034","0.006","112.572","0.005","100.066","0.006","503.71","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 I O3 -","- C9 H11 I O3 -","- C18 H22 I2 O6 -","2","1","","Matovic, R.; Bihelovic, F.; Gruden-Pavlovic, M; Saicic, R. N.","Total synthesis and biological evaluation of atrop-O-benzyl-desmethylabyssomicin C.","Organic & biomolecular chemistry","2014","12","39","7682","7685","10.1039/c4ob01436g","","","0.71073","MoKα","","0.0593","0.0501","","","0.1039","0.1076","","","","","","1.085","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154007","7.681","0.003","12.525","0.005","14.693","0.006","90","","90","","90","","1413.5","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-Methyl-3-(phenylsulfonyl)-1-propylpyrrolidin-2-one","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Clarke, Leslie Ann; Ring, Aoife; Ford, Alan; Sinha, Abhijeet S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed C-H insertion reaction of 2-sulfonyl-2-diazoacetamides to form γ-lactams.","Organic & biomolecular chemistry","2014","12","38","7612","7628","10.1039/c4ob01430h","","","0.71073","MoKα","","0.0257","0.0244","","","0.0626","0.0634","","","","","","1.051","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154008","5.5457","0.0003","8.9659","0.0003","42.4254","0.0013","90","","90","","90","","2109.48","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N5 O5 -","- C23 H25 N5 O5 -","- C92 H100 N20 O20 -","4","1","","Kovaliov, Marina; Wachtel, Chaim; Yavin, Eylon; Fischer, Bilha","Synthesis and evaluation of a photoresponsive quencher for fluorescent hybridization probes.","Organic & biomolecular chemistry","2014","12","39","7844","7858","10.1039/c4ob01185f","","","0.71073","MoKα","","0.0472","0.0388","","","0.0982","0.1028","","","","","","1.046","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154009","9.6111","0.0014","9.9681","0.0014","13.23","0.0018","95.407","0.003","100.437","0.003","109.697","0.003","1157","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C48 H50 Br2 N4 O10 -","2","1","","Zhao, Xuan; Li, Tian-Ze; Qian, Jing-Ying; Sha, Feng; Wu, Xin-Yan","Enantioselective aza-Morita-Baylis-Hillman reaction between acrylates and N-Boc isatin ketimines: asymmetric construction of chiral 3-substituted-3-aminooxindoles.","Organic & biomolecular chemistry","2014","12","40","8072","8078","10.1039/c4ob01358a","","","0.71073","MoKα","","0.0599","0.047","","","0.1324","0.1425","","","","","","1","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154010","9.3185","0.0002","11.847","0.0002","13.2263","0.0003","94.2169","0.0009","90.9044","0.0009","109.43","0.0011","1372","0.05","150","","150","","","","","","","","syn","5","P -1","-P 1","2","","","","- C30 H22 Cl3 N3 O4 -","- C30 H22 Cl3 N3 O4 -","- C60 H44 Cl6 N6 O8 -","2","1","","Knipe, Peter C.; Lingard, Hannah; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","A Lewis acid-mediated conformational switch.","Organic & biomolecular chemistry","2014","12","40","7937","7941","10.1039/c4ob01556h","","","0.71073","MoKα","","0.084","0.0693","","0.1303","0.1173","0.1303","","","","","","1.0492","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7154011","7.2029","0.0007","9.499","0.0009","19.3231","0.0019","81.188","0.001","84.179","0.002","79.417","0.002","1280.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H8 B F2 N3 O -","- C15 H8 B F2 N3 O -","- C60 H32 B4 F8 N12 O4 -","4","2","","Liu, Hui; Lu, Hua; Wu, Fan; Li, Zhifang; Kobayashi, Nagao; Shen, Zhen","Synthesis and spectroscopic properties of novel meso-cyano boron-pyridyl-isoindoline dyes.","Organic & biomolecular chemistry","2014","12","41","8223","8229","10.1039/c4ob01077a","","","0.71073","MoKα","","0.0556","0.0407","","","0.1318","0.1595","","","","","","1.115","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154012","6.4067","0.0006","7.2419","0.0007","32.409","0.003","90","","90","","90","","1503.7","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H10 B F2 N3 O -","- C19 H10 B F2 N3 O -","- C76 H40 B4 F8 N12 O4 -","4","1","","Liu, Hui; Lu, Hua; Wu, Fan; Li, Zhifang; Kobayashi, Nagao; Shen, Zhen","Synthesis and spectroscopic properties of novel meso-cyano boron-pyridyl-isoindoline dyes.","Organic & biomolecular chemistry","2014","12","41","8223","8229","10.1039/c4ob01077a","","","0.71073","MoKα","","0.0274","0.0264","","","0.0653","0.0659","","","","","","1.069","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154013","12.371","0.004","7.489","0.002","15.557","0.005","90","","112.019","0.009","90","","1336.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","","Mal, Dipakranjan; Roy, Joyeeta; Biradha, Kumar","Regiodivergent and short total synthesis of calothrixins.","Organic & biomolecular chemistry","2014","12","41","8196","8203","10.1039/c4ob01309c","","","0.71073","MoKα","","0.1552","0.054","","","0.1326","0.1728","","","","","","0.827","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154014","9.198","0.0003","13.3225","0.0003","10.6301","0.0003","90","","100.318","0.003","90","","1281.55","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-[(1-methylcyclohex-1-en-4-yl)-methyloxy]-4-methylthiazole-2(3H)-thione","","- C12 H17 N O S2 -","- C12 H17 N O S2 -","- C48 H68 N4 O4 S8 -","4","1","","Schur, Christine; Kelm, Harald; Gottwald, Thomas; Ludwig, Arne; Kneuer, Rainer; Hartung, Jens","Annulated and bridged tetrahydrofurans from alkenoxyl radical cyclization.","Organic & biomolecular chemistry","2014","12","41","8288","8307","10.1039/c4ob01266f","","x-ray","0.71073","MoKα","","0.0547","0.0373","","","0.0812","0.0891","","","","","","1.009","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154015","9.5179","0.0016","16.883","0.003","9.7407","0.0017","90","","104.744","0.01","90","","1513.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RAUL006","","","- C18 H21 N O -","- C17.975 H20.975 N O -","- C71.9 H83.9 N4 O4 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Jiménez, M Consuelo; Miranda, Miguel A.","Cycloreversion of β-lactams via photoinduced electron transfer.","Organic & biomolecular chemistry","2014","12","42","8428","8432","10.1039/c4ob01416b","","x-ray","0.71073","MoKα","","0.2028","0.156","","","0.3367","0.3598","","","","","","1.158","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154016","5.546","0.003","20.507","0.006","8.248","0.003","90","","100.72","0.03","90","","921.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RAUL007","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Pérez-Ruiz, Raúl; Sáez, Jose A; Jiménez, M Consuelo; Miranda, Miguel A.","Cycloreversion of β-lactams via photoinduced electron transfer.","Organic & biomolecular chemistry","2014","12","42","8428","8432","10.1039/c4ob01416b","","x-ray","0.71073","MoKα","","0.1306","0.083","","","0.2147","0.2534","","","","","","0.989","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154017","11.1583","0.0018","28.871","0.005","14.242","0.003","90","","94.651","0.003","90","","4573","1.4","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H49 Cl3 N2 O2 -","- C51 H49 Cl3 N2 O2 -","- C204 H196 Cl12 N8 O8 -","4","1","","Katoono, Ryo; Kusaka, Keiichi; Kawai, Shunsuke; Tanaka, Yuki; Hanada, Keisuke; Nehira, Tatsuo; Fujiwara, Kenshu; Suzuki, Takanori","Chiroptical molecular propellers based on hexakis(phenylethynyl)benzene through the complexation-induced intramolecular transmission of local point chirality.","Organic & biomolecular chemistry","2014","12","47","9532","9538","10.1039/c4ob01601g","","","0.71075","MoKα","","","0.1139","","","","0.3462","","","","","","1.341","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154018","15.1038","0.0016","15.2027","0.0016","17.797","0.002","89.71","0.004","81.484","0.003","86.143","0.004","4032.3","0.8","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C102 H74 N6 O7 -","- C102 H72 N6 O7 -","- C204 H144 N12 O14 -","2","1","","Katoono, Ryo; Kusaka, Keiichi; Kawai, Shunsuke; Tanaka, Yuki; Hanada, Keisuke; Nehira, Tatsuo; Fujiwara, Kenshu; Suzuki, Takanori","Chiroptical molecular propellers based on hexakis(phenylethynyl)benzene through the complexation-induced intramolecular transmission of local point chirality.","Organic & biomolecular chemistry","2014","12","47","9532","9538","10.1039/c4ob01601g","","","0.71075","MoKα","","","0.1147","","","","0.3124","","","","","","2.054","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154019","12.291","0.002","17.31","0.003","11.563","0.002","90","","95.536","0.005","90","","2448.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H58 O4 -","- C64 H58 O4 -","- C128 H116 O8 -","2","0.5","","Vanga, Devendar Goud; Santra, Mithun; Keerthi, Ashok; Valiyaveettil, Suresh","Synthesis and photophysical properties of pyrene-based green fluorescent dyes: butterfly-shaped architectures.","Organic & biomolecular chemistry","2014","12","40","7914","7918","10.1039/c4ob01509f","","","0.71073","MoKα","","0.1044","0.0775","","","0.1815","0.1964","","","","","","1.029","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154020","9.8987","0.0008","24.374","0.002","10.0794","0.0009","90","","105.82","0.002","90","","2339.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 F4 I O3 S -","- C23 H21 F4 I O3 S -","- C92 H84 F16 I4 O12 S4 -","4","1","","Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li","Synthesis of phenanthridine derivatives via cascade annulation of diaryliodonium salts and nitriles.","Organic & biomolecular chemistry","2014","12","40","7904","7908","10.1039/c4ob01504e","","","0.71073","MoKα","","0.0586","0.0398","","","0.1048","0.1419","","","","","","1.137","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154022","9.7645","0.0009","7.469","0.0007","11.4907","0.0011","90","","95.351","0.002","90","","834.38","0.14","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H17 N O5 S -","- C17 H17 N O5 S -","- C34 H34 N2 O10 S2 -","2","1","","Ge, Li-Shi; Wang, Zheng-Lin; An, Xing-Lan; Luo, Xiaoyan; Deng, Wei-Ping","Direct synthesis of polysubstituted 2-aminothiophenes by Cu(ii)-catalyzed addition/oxidative cyclization of alkynoates with thioamides.","Organic & biomolecular chemistry","2014","12","42","8473","8479","10.1039/c4ob01534g","","","0.71073","MoKα","","0.0362","0.0333","","","0.0841","0.0866","","","","","","1.022","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154023","19.5996","0.0002","20.3256","0.0003","20.7522","0.0002","90","","91.354","0.001","90","","8264.82","0.17","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H51 B F4 Ir N2 P -","- C47 H51 B F4 Ir N2 P -","- C376 H408 B8 F32 Ir8 N16 P8 -","8","2","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0633","0.0323","","","0.0578","0.07","","","","","","1.036","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154024","17.2768","0.0004","17.2947","0.0003","17.8826","0.0004","109.21","0.002","106.118","0.002","109.13","0.002","4299.3","0.2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H51 F3 Ir N2 O3 P S -","- C48 H51 F3 Ir N2 O3 P S -","- C192 H204 F12 Ir4 N8 O12 P4 S4 -","4","2","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0405","0.0293","","","0.0653","0.0714","","","","","","1.032","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154025","12.516","0.0003","14.3186","0.0004","20.8639","0.0005","84.989","0.002","77.642","0.002","84.507","0.002","3627.04","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H63 B F24 Ir N2 P -","- C79 H63 B F24 Ir N2 P -","- C158 H126 B2 F48 Ir2 N4 P2 -","2","1","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","0.71073","MoKα","","0.0707","0.0472","","","0.1085","0.1165","","","","","","0.977","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154026","20.4198","0.0005","11.9065","0.0002","23.6916","0.0005","90","","114.629","0.003","90","","5236.1","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H37 B F24 N2 -","- C53 H37 B F24 N2 -","- C212 H148 B4 F96 N8 -","4","1","","Kennedy, Alan R.; Kerr, William J.; Moir, Rory; Reid, Marc","Anion effects to deliver enhanced iridium catalysts for hydrogen isotope exchange processes.","Organic & biomolecular chemistry","2014","12","40","7927","7931","10.1039/c4ob01570c","","","1.5418","CuKα","","0.0707","0.0598","","","0.1595","0.1708","","","","","","1.055","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154027","10.054","0.0015","16.853","0.002","23.794","0.003","90","","90","","90","","4031.7","0.9","263","","263","","","","","","","","Chemical Synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 O16 -","- C43 H60 O16 -","- C172 H240 O64 -","4","1","","Ding, Chunyong; Wang, Lili; Chen, Haijun; Wild, Christopher; Ye, Na; Ding, Ye; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","ent-Kaurane-based regio- and stereoselective inverse electron demand hetero-Diels-Alder reactions: synthesis of dihydropyran-fused diterpenoids.","Organic & biomolecular chemistry","2014","12","42","8442","8452","10.1039/c4ob01040j","","","1.5418","CuKα","","0.0337","0.0334","","0.0922","0.0918","0.0922","","","","","","1.0046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154028","9.4979","0.0008","13.0601","0.001","21.0823","0.0016","90","","90","","90","","2615.1","0.4","263","","263","","","","","","","","Chemical Synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl O7 -","- C28 H37 Cl O7 -","- C112 H148 Cl4 O28 -","4","1","","Ding, Chunyong; Wang, Lili; Chen, Haijun; Wild, Christopher; Ye, Na; Ding, Ye; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","ent-Kaurane-based regio- and stereoselective inverse electron demand hetero-Diels-Alder reactions: synthesis of dihydropyran-fused diterpenoids.","Organic & biomolecular chemistry","2014","12","42","8442","8452","10.1039/c4ob01040j","","","1.5418","CuKα","","0.045","0.0428","","0.1271","0.1245","0.1271","","","","","","0.9531","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154029","5.7933","0.0006","15.9715","0.0017","18.559","0.002","90","","90","","90","","1717.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 F3 N2 O2 S -","- C15 H19 F3 N2 O2 S -","- C60 H76 F12 N8 O8 S4 -","4","1","","Qian, Ping; Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric synthesis of (3S,1'S)-3-(1-amino-2,2,2-trifluoroethyl)-1-(alkyl)-indolin-2-one derivatives by addition of (S)-N-t-butylsulfinyl-3,3,3-trifluoroacetaldimine to 1-(alkyl)-indolin-2-ones.","Organic & biomolecular chemistry","2014","12","40","7909","7913","10.1039/c4ob01453g","","","0.71073","MoKα","","0.0772","0.0405","","","0.0965","0.1172","","","","","","0.962","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7154030","26.6311","0.0009","26.6311","0.0009","15.8084","0.001","90","","90","","90","","11211.6","0.9","130","0.1","130","0.1","","","","","","","","4","I 4","I 4","79","","","","- C26 H27.5 N6.5 O7 -","- C23 H23 N5 O7 -","- C368 H368 N80 O112 -","16","2","","Gamon, L. F.; White, J. M.; Wille, U.","Oxidative damage of aromatic dipeptides by the environmental oxidants NO2˙ and O3.","Organic & biomolecular chemistry","2014","12","41","8280","8287","10.1039/c4ob01577k","","","1.5418","CuKα","","0.1418","0.0855","","","0.1897","0.2326","","","","","","0.895","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154031","9.6136","0.0009","15.2925","0.0012","17.8493","0.0015","94.364","0.004","105.608","0.004","90.128","0.004","2519.3","0.4","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H11 N O -","- C18 H11 N O -","- C144 H88 N8 O8 -","8","4","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.1755","0.1065","","","0.2702","0.2987","","","","","","1.077","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154032","11.6541","0.001","7.3177","0.0006","33.887","0.003","90","","90","","90","","2889.9","0.4","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C19 H10 F3 N O -","- C19 H10 F3 N O -","- C152 H80 F24 N8 O8 -","8","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.1727","0.0618","","","0.123","0.166","","","","","","0.949","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154033","7.4383","0.001","12.2361","0.0017","27.524","0.003","90","","96.983","0.005","90","","2486.5","0.6","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H22 N2 O2 -","- C36 H22 N2 O2 -","- C144 H88 N8 O8 -","4","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.124","0.0587","","","0.1292","0.1588","","","","","","0.995","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154034","15.9675","0.0006","4.9591","0.0002","16.0534","0.0009","90","","95.093","0.002","90","","1266.16","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N O -","- C18 H11 N O -","- C72 H44 N4 O4 -","4","1","","Marquise, Nada; Dorcet, Vincent; Chevallier, Floris; Mongin, Florence","Synthesis of substituted azafluorenones from dihalogeno diaryl ketones by palladium-catalyzed auto-tandem processes.","Organic & biomolecular chemistry","2014","12","41","8138","8141","10.1039/c4ob01629g","","x-ray","0.71073","MoKα","","0.0799","0.0527","","","0.1091","0.122","","","","","","1.033","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154035","7.3551","0.0015","19.227","0.004","8.7515","0.0018","90","","110.65","0.03","90","","1158.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","","He, Haitao; Qi, Chaorong; Ou, Yanglu; Xiong, Wenfang; Hu, Xiaohan; Ren, Yanwei; Jiang, Huanfeng","Base-promoted annulation of α-hydroxy ketones and dimethyl but-2-ynedioate: straightforward access to pyrano[4,3-a]quinolizine-1,4,6(2H)-triones and 2H-pyran-2,5(6H)-diones.","Organic & biomolecular chemistry","2014","12","41","8128","8131","10.1039/c4ob01858c","","","0.71073","MoKα","","0.0616","0.0456","","","0.1347","0.1496","","","","","","1.077","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154036","12.295","0.003","7.7566","0.0016","33.943","0.008","90","","90","","90","","3237.1","1.3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.1491","0.0572","","","0.1013","0.1216","","","","","","0.948","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7154037","32.374","0.008","5.404","0.0012","16.122","0.004","90","","114.805","0.009","90","","2560.3","1.1","261","2","261","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.2715","0.0792","","","0.13","0.1825","","","","","","0.951","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7154038","18.491","0.002","5.2471","0.0005","22.346","0.003","90","","90.654","0.004","90","","2168","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Rathore, Kuldeep Singh; Harode, Mandeep; Katukojvala, Sreenivas","Regioselective π-extension of indoles with rhodium enalcarbenoids - synthesis of substituted carbazoles.","Organic & biomolecular chemistry","2014","12","43","8641","8645","10.1039/c4ob01693a","","","0.71073","MoKα","","0.1708","0.055","","","0.1196","0.1541","","","","","","0.986","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7154039","7.804","0.0016","13.07","0.003","8.448","0.0017","90","","108.64","0.03","90","","816.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-1-methylindolin-2-one","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","","Chen, Jinsen; Song, Chao; Chen, Pei; Zhu, Jin","An intermolecular C-H functionalization method for the synthesis of 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2014","12","42","8390","8393","10.1039/c4ob01643b","","","0.71073","MoKα","","0.0825","0.057","","","0.1547","0.1705","","","","","","1.004","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154065","8.937","0.0011","5.0321","0.0002","13.3138","0.0012","90","0.005","96.958","0.008","90","0.006","594.34","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Br2 O4 -","- C10 H10 Br2 O4 -","- C20 H20 Br4 O8 -","2","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0623","0.0357","","","0.0568","0.0641","","","","","","1.091","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154066","4.8906","0.0009","9.361","0.002","9.693","0.004","104.639","0.019","101.792","0.002","100.598","0.002","407.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 O4 S2 -","- C18 H16 O4 S2 -","- C18 H16 O4 S2 -","1","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1656","0.0588","","","0.1092","0.1304","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154067","7.6923","0.0007","46.482","0.006","9.9383","0.0017","90","","112.199","0.011","90","","3290.1","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 H32 O8 S4 -","- C36 H32 O8 S4 -","- C144 H128 O32 S16 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0978","0.0589","","","0.1564","0.1712","","","","","","1.04","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154068","20.4414","0.0019","6.6136","0.0009","17.1675","0.0011","90","","111.534","0.006","90","","2158.9","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 O8 S2 -","- C22 H20 O8 S2 -","- C88 H80 O32 S8 -","4","0.5","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.0688","0.0494","","","0.1259","0.1426","","","","","","1.051","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154069","9.7823","0.0013","14.5562","0.0006","15.4932","0.0016","90","","98.14","0.11","90","","2183.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O8 S2 -","- C22 H20 O8 S2 -","- C88 H80 O32 S8 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1672","0.0686","","","0.1765","0.2166","","","","","","1.038","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154070","6.878","","17.926","","24.286","","90","","92.51","","90","","2991.47","","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cu N2 O6 S2 -","- C32 H32 Cu N2 O6 S2 -","- C128 H128 Cu4 N8 O24 S8 -","4","1","","Atzori, Matteo; Pop, Flavia; Cauchy, Thomas; Mercuri, Maria Laura; Avarvari, Narcis","Thiophene-benzoquinones: synthesis, crystal structures and preliminary coordination chemistry of derived anilate ligands.","Organic & biomolecular chemistry","2014","12","43","8752","8763","10.1039/c4ob01582g","","","0.71073","MoKα","","0.1241","0.0599","","","0.1169","0.1312","","","","","","1.042","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154071","15.263","0.003","28.289","0.005","7.5628","0.0013","90","","93.171","0.01","90","","3260.4","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N2 O4 -","- C42 H38 N2 O4 -","- C168 H152 N8 O16 -","4","1","","Wu, Di; Ge, Haojie; Chen, Zhao; Liang, Jinhua; Huang, Jie; Zhang, Yufeng; Chen, Xiaoqiang; Meng, Xianggao; Liu, Sheng Hua; Yin, Jun","Imides modified benzopicenes: synthesis, solid structure and optoelectronic properties.","Organic & biomolecular chemistry","2014","12","44","8902","8910","10.1039/c4ob01486c","","","1.54178","CuKα","","0.127","0.1105","","","0.301","0.321","","","","","","1.412","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154072","12.7675","0.0002","31.0308","0.0005","7.5593","0.0001","90","","93.996","0.001","90","","2987.61","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 N2 O5 -","- C39 H32 N2 O5 -","- C156 H128 N8 O20 -","4","1","","Wu, Di; Ge, Haojie; Chen, Zhao; Liang, Jinhua; Huang, Jie; Zhang, Yufeng; Chen, Xiaoqiang; Meng, Xianggao; Liu, Sheng Hua; Yin, Jun","Imides modified benzopicenes: synthesis, solid structure and optoelectronic properties.","Organic & biomolecular chemistry","2014","12","44","8902","8910","10.1039/c4ob01486c","","","1.54178","CuKα","","0.065","0.0625","","","0.1466","0.1483","","","","","","1.115","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154073","8.671","0.003","15.948","0.006","15.692","0.006","90","","94.15","0.007","90","","2164.3","1.4","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22.5 H21 Br Cl N2 O2 P -","- C22.5 H21 Br Cl N2 O2 P -","- C90 H84 Br4 Cl4 N8 O8 P4 -","4","2","","Kong, Ling-Pei; Li, Nai-Kai; Zhang, Shao-Yun; Chen, Xiang; Zhao, Min; Zhang, Ya-Fei; Wang, Xing-Wang","Highly enantioselective phosphination and hydrophosphonylation of azomethine imines: using chiral squaramide as a hydrogen bonding organocatalyst.","Organic & biomolecular chemistry","2014","12","43","8656","8670","10.1039/c4ob01472c","","","0.71073","MoKα","","0.0812","0.0655","","","0.1762","0.1936","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154074","11.2169","0.0009","15.8678","0.0013","6.8648","0.0006","90","","107.601","0.003","90","","1164.65","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H5 F3 N2 O4 -","- C11 H5 F3 N2 O4 -","- C44 H20 F12 N8 O16 -","4","1","","Zhang, Li; Zeng, Qin; Mao, Ao; Wu, Ziang; Luo, Tian; Xiao, Yuanjing; Zhang, Junliang","NIS-mediated oxidative cyclization of N-(2-trifluoromethyl-3-alkynyl) hydroxylamines: a facile access to 4-trifluoromethyl-5-acylisoxazoles.","Organic & biomolecular chemistry","2014","12","44","8942","8946","10.1039/c4ob01790k","","","0.71073","MoKα","","0.09","0.0519","","","0.1193","0.1429","","","","","","1.027","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154075","5.3932","0.0008","7.7138","0.0011","49.332","0.007","90","","90","","90","","2052.3","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H37 Cl N O4 -","- C18 H37 Cl N O4 -","- C72 H148 Cl4 N4 O16 -","4","1","","Désiré, J; Mondon, M.; Fontelle, N.; Nakagawa, S.; Hirokami, Y.; Adachi, I.; Iwaki, R.; Fleet, G. W. J.; Alonzi, D. S.; Twigg, G.; Butters, T. D.; Bertrand, J.; Cendret, V.; Becq, F.; Norez, C.; Marrot, J.; Kato, A.; Blériot, Y","N- and C-alkylation of seven-membered iminosugars generates potent glucocerebrosidase inhibitors and F508del-CFTR correctors.","Organic & biomolecular chemistry","2014","12","44","8977","8996","10.1039/c4ob00325j","","","0.71073","MoKα","","0.123","0.1146","","","0.3128","0.3183","","","","","","1.081","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154076","13.861","0.003","9.623","0.002","17.3","0.03","90","","128.57","0.05","90","","1804","3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Challa, Chandrasekhar; Vellekkatt, Jamsheena; Ravindran, Jaice; Lankalapalli, Ravi S.","A metal-free one-pot cascade synthesis of highly functionalized biaryl-2-carbaldehydes.","Organic & biomolecular chemistry","2014","12","43","8588","8592","10.1039/c4ob01829j","","","0.71073","MoKα","","0.1493","0.0708","","","0.159","0.2013","","","","","","0.759","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154077","9.0217","0.0007","13.8727","0.0015","15.2216","0.0013","90","","90","","90","","1905.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3S,3aR,4S)-ethyl 4-(benzyloxy)-2-((E)-carbamoyldiazenyl)-2-methylhexahydropyrrolo[1,2-b]isoxazole-3-carboxylate","","- C18 H24 N4 O5 -","- C18 H24 N4 O5 -","- C72 H96 N16 O20 -","4","1","","Majer, Roberta; Konechnaya, Olga; Delso, Ignacio; Tejero, Tomas; Attanasi, Orazio A.; Santeusanio, Stefania; Merino, Pedro","Highly diastereoselective 1,3-dipolar cycloadditions of chiral non-racemic nitrones to 1,2-diaza-1,3-dienes: an experimental and computational investigation.","Organic & biomolecular chemistry","2014","12","44","8888","8901","10.1039/c4ob01371a","","","0.71073","MoKα","","0.136","0.073","","","0.0936","0.1185","","","","","","0.966","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154078","11.9298","0.0003","5.8381","0.0002","13.6572","0.0003","90","","94.667","0.002","90","","948.03","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C40 H40 N4 O12 -","2","1","","Cheng, Shuanghua; Yu, Shouyun","Enantioselective synthesis of 3-substituted 1,2-oxazinanes via organocatalytic intramolecular aza-Michael addition.","Organic & biomolecular chemistry","2014","12","43","8607","8610","10.1039/c4ob01646g","","","1.54178","CuKα","","0.0701","0.0649","","","0.1697","0.1772","","","","","","1.071","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154079","7.5625","0.0006","8.5844","0.0006","14.9024","0.0015","105.447","0.004","98.731","0.005","99.813","0.004","898.84","0.13","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H24 Si -","- C21 H24 Si -","- C42 H48 Si2 -","2","1","","Tamke, Sergej; Daniliuc, Constantin-G; Paradies, Jan","Frustrated Lewis pair catalyzed hydrosilylation and hydrosilane mediated hydrogenation of fulvenes.","Organic & biomolecular chemistry","2014","12","45","9139","9144","10.1039/c4ob01346h","","","1.54178","CuKα","","0.0626","0.0568","","","0.1526","0.1581","","","","","","1.063","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154080","8.9295","0.0007","13.0992","0.0013","19.384","0.002","90","","90","","90","","2267.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","1","","Ariyarathna, Yamuna; Tunge, Jon A.","Decarboxylative allylations of ester enolate equivalents.","Organic & biomolecular chemistry","2014","12","42","8386","8389","10.1039/c4ob01752h","","","1.54178","CuKα","","0.0765","0.0579","","","0.1421","0.1542","","","","","","1.057","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154081","8.8916","0.0003","34.6623","0.0015","8.5392","0.0003","90","","96.831","0.002","90","","2613.13","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N O5 -","- C29 H37 N O5 -","- C116 H148 N4 O20 -","4","1","","Muthusamy, Sengodagounder; Karikalan, Thangaraju","Rhodium(ii) catalyzed synthesis of macrocycles incorporating oxindole via O-H/N-H insertion reactions.","Organic & biomolecular chemistry","2014","12","45","9243","9256","10.1039/c4ob01671h","","","0.71073","MoKα","","0.1308","0.0848","","","","0.28","","","","","","1.6651","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154082","7.9479","0.0002","9.0065","0.0002","14.445","0.0003","75.8","0.001","77.803","0.001","72.644","0.001","946.06","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","macrocycle","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Muthusamy, Sengodagounder; Karikalan, Thangaraju","Rhodium(ii) catalyzed synthesis of macrocycles incorporating oxindole via O-H/N-H insertion reactions.","Organic & biomolecular chemistry","2014","12","45","9243","9256","10.1039/c4ob01671h","","","0.71073","MoKα","","0.0843","0.0528","","","0.1785","0.2239","","","","","","0.844","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154083","4.433","0.006","13.761","0.01","10.298","0.01","90","","92.05","0.12","90","","627.8","1.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H17 Cl O2 -","- C14 H15 Cl O2 -","- C28 H30 Cl2 O4 -","2","2","","Chanda, Tanmoy; Chowdhury, Sushobhan; Koley, Suvajit; Anand, Namrata; Singh, Maya Shankar","Lewis acid promoted construction of chromen-4-one and isoflavone scaffolds via regio- and chemoselective domino Friedel-Crafts acylation/Allan-Robinson reaction.","Organic & biomolecular chemistry","2014","12","45","9216","9222","10.1039/c4ob01743a","","","0.71073","MoKα","","0.0657","0.0459","","","0.1124","0.1344","","","","","","0.982","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154084","14.234","0.004","4.0143","0.001","22.047","0.005","90","","90","","90","","1259.8","0.6","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H13 Cl O3 -","- C14 H13 Cl O3 -","- C56 H52 Cl4 O12 -","4","1","","Chanda, Tanmoy; Chowdhury, Sushobhan; Koley, Suvajit; Anand, Namrata; Singh, Maya Shankar","Lewis acid promoted construction of chromen-4-one and isoflavone scaffolds via regio- and chemoselective domino Friedel-Crafts acylation/Allan-Robinson reaction.","Organic & biomolecular chemistry","2014","12","45","9216","9222","10.1039/c4ob01743a","","","0.71073","MoKα","","0.1896","0.0958","","","0.2314","0.3824","","","","","","1.13","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154085","8.7007","0.0012","15.1805","0.0019","8.686","0.001","90","","104.082","0.004","90","","1112.8","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","wx-4","4p","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Yin, Yong; Wu, Xun; Han, Hong-Wei; Sha, Shao; Wang, She-Feng; Qiao, Fang; Lu, Ai-Min; Lv, Peng-Cheng; Zhu, Hai-Liang","Discovery and synthesis of a novel series of potent, selective inhibitors of the PI3Kα: 2-alkyl-chromeno[4,3-c]pyrazol-4(2H)-one derivatives.","Organic & biomolecular chemistry","2014","12","45","9157","9165","10.1039/c4ob01589d","","","0.71073","MoKα","","0.0639","0.0446","","","0.1102","0.1239","","","","","","1.05","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7154086","8.2975","0.0016","11.26","0.002","21.17","0.004","90","","90","","90","","1977.9","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F N2 O2 -","- C25 H23 F N2 O2 -","- C100 H92 F4 N8 O8 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.0508","0.0407","","","0.0787","0.0819","","","","","","1.004","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154087","9.38","0.007","16.703","0.012","16.766","0.012","90","","90","","90","","2627","3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl2 F N3 Ni O3 -","- C28 H26 Cl2 F N3 Ni O3 -","- C112 H104 Cl8 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1947","0.0879","","","0.1596","0.2024","","","","","","0.868","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154088","9.1183","0.0019","14.255","0.003","23.374","0.005","90","","90","","90","","3038.2","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl4 F N3 Ni O3 -","- C28 H26 F N3 Ni O3 -","- C112 H104 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1159","0.0716","","","0.1515","0.1645","","","","","","0.869","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154089","9.054","0.003","14.587","0.004","12.85","0.004","90","","101.348","0.006","90","","1663.9","0.9","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H40 F N3 Ni O5 -","- C36 H40 F N3 Ni O5 -","- C72 H80 F2 N6 Ni2 O10 -","2","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.094","0.0602","","","0.0964","0.1082","","","","","","0.877","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154090","9.165","0.01","13.957","0.014","23.73","0.03","90","","90","","90","","3035","6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 F N3 Ni O3 -","- C35 H38 F N3 Ni O3 -","- C140 H152 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1468","0.0841","","","0.1441","0.1662","","","","","","0.871","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154091","11.823","0.0015","25.123","0.003","9.6587","0.0013","90","","90","","90","","2868.9","0.6","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C33 H34 F N3 Ni O3 -","- C33 H34 F N3 Ni O3 -","- C132 H136 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1033","0.0584","","","0.0728","0.0836","","","","","","0.779","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154092","11.4718","0.0005","12.9514","0.0005","15.8446","0.0008","90","","90","","90","","2354.13","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0408","0.0353","","","0.0824","0.0873","","","","","","1.062","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154093","10.4301","0.0003","11.8072","0.0003","18.744","0.0005","90","","90","","90","","2308.33","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 N O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0328","0.0315","","","0.0798","0.081","","","","","","1.065","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154094","6.3498","0.0003","19.5019","0.0008","9.5651","0.0005","90","","102.297","0.004","90","","1157.3","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H38 N0 O7 -","- C26 H38 O7 -","- C52 H76 O14 -","2","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0329","0.031","","","0.0764","0.0783","","","","","","1.057","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154095","8.9982","0.0004","12.36","0.0007","13.3864","0.0008","90","","98.572","0.005","90","","1472.17","0.14","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O12.2 -","- C28 H40 O12.2 -","- C56 H80 O24.4 -","2","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0826","0.0699","","","0.2008","0.2219","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154096","22.4413","0.0009","10.7973","0.0006","18.1182","0.0009","90","","102.275","0.005","90","","4289.8","0.4","100","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H56 N4 O5 -","- C51 H56 N4 O5 -","- C204 H224 N16 O20 -","4","0.5","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0587","0.0461","","","0.1032","0.1125","","","","","","1.074","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154097","8.7602","0.0004","10.7729","0.0007","12.2413","0.0007","65.145","0.006","88.691","0.004","83.815","0.004","1041.82","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C48 H48 N4 O4 -","2","1","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0544","0.0429","","","0.0975","0.105","","","","","","1.065","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154098","22.2842","0.001","11.1478","0.0005","18.7003","0.0012","90","","102.746","0.005","90","","4531","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H52 Cl2 F2 N4 O4 -","- C51 H52 Cl2 F2 N4 O4 -","- C204 H208 Cl8 F8 N16 O16 -","4","0.5","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0723","0.0553","","","0.1267","0.1392","","","","","","1.038","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154099","11.9848","0.0009","13.535","0.001","13.8969","0.001","87.087","0.006","72.785","0.006","80.922","0.006","2126.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","2","","Ambasana, Pratik A.; Vachhani, Dipak D.; Galli, Marzia; Jacobs, Jeroen; Van Meervelt, Luc; Shah, Anamik K.; Van der Eycken, Erik V.","Solvent switchable cycloaddition: a (one-pot) metal-free approach towards N-substituted benzo[e]- or [f]isoindolones via Csp(2)-H functionalization.","Organic & biomolecular chemistry","2014","12","44","8861","8865","10.1039/c4ob01644k","","","0.71073","MoKα","","0.0605","0.0464","","","0.105","0.1127","","","","","","1.033","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154100","18.898","0.003","8.9379","0.0015","13.094","0.002","90","","107.023","0.011","90","","2114.8","0.6","298","2","298","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H18 Br N3 O5 S2 -","- C16 H18 Br N3 O5 S2 -","- C64 H72 Br4 N12 O20 S8 -","4","1","","Zhang, Huanrui; Wang, Baomin; Cui, Longchen; Li, Ying; Qu, Jingping; Song, Yuming","Organocatalytic enantioselective α-amination of 5-substituted rhodanines: an efficient approach to chiral N,S-acetals.","Organic & biomolecular chemistry","2014","12","45","9097","9100","10.1039/c4ob01921k","","","0.71073","MoKα","","0.0526","0.0372","","","0.0908","0.0975","","","","","","1","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154101","6.3774","0.0003","10.614","0.0005","26.4051","0.0019","90","","103.339","0.006","90","","1739.13","0.18","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","1.54187","CuKα","","0.1039","0.0512","","","0.1179","0.1894","","","","","","1.131","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154102","23.678","0.006","14.55","0.002","19.515","0.004","90","","126.678","0.005","90","","5392","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H33 N O2 -","- C34 H33 N O2 -","- C272 H264 N8 O16 -","8","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","0.71073","MoKα","","0.0705","0.0486","","","0.1211","0.1384","","","","","","1.045","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154103","5.421","0.002","11.015","0.003","28.258","0.006","90","","100.74","0.004","90","","1657.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Amara, Z.; Bernadat, G.; Venot, P.-E.; Retailleau, P.; Troufflard, C.; Drège, E; Le Bideau, F.; Joseph, D.","Thermodynamic epimeric equilibration and crystallisation-induced dynamic resolution of lobelanine, norlobelanine and related analogues.","Organic & biomolecular chemistry","2014","12","48","9797","9810","10.1039/c4ob01787k","","","0.71073","MoKα","","0.0832","0.0466","","","0.1108","0.1301","","","","","","1.035","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154104","29.664","0.009","6.1441","0.0019","19.888","0.006","90","","121.936","0.004","90","","3076.1","1.6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","","Zhu, Yuequan; Zhang, Min; Yuan, Hongling; Gong, Yuefa","Synthesis of functionalized fulvenes: [3 + 2] annulation of ethyl α-chlorocyclopropaneformates with 1,3-dicarbonyl compounds.","Organic & biomolecular chemistry","2014","12","44","8828","8831","10.1039/c4ob01973c","","","0.71073","MoKα","","0.0817","0.0537","","","0.1359","0.153","","","","","","1.003","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154105","6.462","0.003","21.405","0.002","11.722","0.004","90","","105.001","0.001","90","","1566.1","0.9","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H23 N5 O16 -","- C30 H23 N5 O16 -","- C60 H46 N10 O32 -","2","1","","Coelho, Jaime A. S.; Trindade, Alexandre F.; André, Vânia; Teresa Duarte, M.; Veiros, Luis F.; Afonso, Carlos A. M.","Trienamines derived from 5-substituted furfurals: remote ε-functionalization of 2,4-dienals.","Organic & biomolecular chemistry","2014","12","46","9324","","10.1039/c4ob01759e","","","0.71069","MoKα","","0.0988","0.0544","","","0.1136","0.1284","","","","","","0.967","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154106","10.3833","0.0007","10.5874","0.0007","13.2957","0.0009","90","","111.926","0.003","90","","1355.9","0.16","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N5 O7 -","- C27 H33 N5 O7 -","- C54 H66 N10 O14 -","2","1","","Prasanna, R.; Purushothaman, S.; Raghunathan, R.","Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2014","12","46","9375","","10.1039/c4ob01778a","","","0.71073","MoKα","","0.0592","0.0432","","","0.1031","0.1153","","","","","","1.034","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154107","10.104","0.0004","15.7277","0.0007","10.7107","0.0004","90","","106.895","0.002","90","","1628.6","0.12","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H39 N5 O7 -","- C35 H39 N5 O7 -","- C70 H78 N10 O14 -","2","1","","Prasanna, R.; Purushothaman, S.; Raghunathan, R.","Rapid assembly of heterocycle grafted macrocycles via tandem one-pot double 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2014","12","46","9375","","10.1039/c4ob01778a","","","0.71073","MoKα","","0.0585","0.042","","","0.0987","0.1081","","","","","","1.03","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154108","20.584","0.004","16.0252","0.0013","13.038","0.002","90","","128.09","0.03","90","","3384.9","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N2 O3.5 S -","- C15 H23 N2 O3.5 S -","- C120 H184 N16 O28 S8 -","8","1","","Díaz Velázquez, Heriberto; Ruiz García, Yara; Vandichel, Matthias; Madder, Annemieke; Verpoort, Francis","Water-soluble NHC-Cu catalysts: applications in click chemistry, bioconjugation and mechanistic analysis.","Organic & biomolecular chemistry","2014","12","46","9350","","10.1039/c4ob01350f","","","0.71073","MoKα","","0.0799","0.0739","","","0.1549","0.1576","","","","","","1.036","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154109","7.3279","0.0009","14.173","0.0017","22.626","0.003","90","","90","","90","","2349.9","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-1-(6-chloro-2,2-dioxido-3,4-dihydrobenzo[e][1,2,3]oxathiazin-4-yl)propan-2-one","","- C10 H10 Cl N O4 S -","- C10 H10 Cl N O4 S -","- C80 H80 Cl8 N8 O32 S8 -","8","2","","Wang, You-Qing; Cui, Xiao-Yu; Ren, Yuan-Yuan; Zhang, Yongna","A highly enantioselective and regioselective organocatalytic direct Mannich reaction of methyl alkyl ketones with cyclic imines benzo[e][1,2,3]oxathiazine 2,2-dioxides.","Organic & biomolecular chemistry","2014","12","45","9101","9104","10.1039/c4ob01902d","","","0.71073","MoKα","","0.0898","0.0463","","","0.0896","0.1048","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154110","6.687","0.002","19.034","0.007","35.511","0.012","90","","90","","90","","4520","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C192 H256 O48 -","16","4","","Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.","Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.","Organic & biomolecular chemistry","2014","12","46","9439","","10.1039/c4ob01763c","","","0.71073","MoKα","","0.1291","0.0483","","","0.1059","0.1449","","","","","","1.019","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154111","8.5282","0.0009","10.7576","0.0011","41.024","0.004","90","","90","","90","","3763.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19.5 N5 O3.5 -","- C14 H18.5 N5 O3.5 -","- C112 H148 N40 O28 -","8","2","","Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.","Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.","Organic & biomolecular chemistry","2014","12","46","9439","","10.1039/c4ob01763c","","","0.71073","MoKα","","0.192","0.1647","","","0.3716","0.3918","","","","","","1.732","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154112","8.649","0.007","21.553","0.015","9.886","0.008","90","","109.782","0.009","90","","1734","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[2-(4-nitrophenyl)-3-(phenylamino)allylidene]aniline","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C84 H68 N12 O8 -","4","1","","Romero-Fernández, María P; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Pseudo-cyclic structures of mono- and di-azaderivatives of malondialdehydes. Synthesis and conformational disentanglement by computational analyses.","Organic & biomolecular chemistry","2014","12","44","8997","9010","10.1039/c4ob01507j","","","0.71073","MoKα","","0.1207","0.0889","","","0.1428","0.1557","","","","","","1.208","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154113","4.1847","0.0019","13.013","0.006","24.919","0.011","90","","93.169","0.008","90","","1354.9","1.1","100","2","100","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Romero-Fernández, María P; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Pseudo-cyclic structures of mono- and di-azaderivatives of malondialdehydes. Synthesis and conformational disentanglement by computational analyses.","Organic & biomolecular chemistry","2014","12","44","8997","9010","10.1039/c4ob01507j","","","0.71075","MoKα","","0.0553","0.044","","","0.1033","0.1089","","","","","","1.119","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154114","9.5245","0.0006","10.9766","0.0006","13.0812","0.0003","66.231","0.005","83.209","0.005","83.846","0.005","1240.14","0.12","123.01","0.1","123.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Cl2 Cu N5 O -","- C26 H27 Cl2 Cu N5 O -","- C52 H54 Cl4 Cu2 N10 O2 -","2","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0419","0.0376","","","0.0978","0.0996","","","","","","0.987","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154115","27.5775","0.0009","27.9449","0.001","10.4795","0.0004","90","","90","","90","","8076","0.5","173.01","0.1","173.01","0.1","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C23 H20 Cd Cl2 N4 -","- C23 H20 Cd Cl2 N4 -","- C276 H240 Cd12 Cl24 N48 -","12","1.5","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","0.71073","MoKα","","0.0752","0.0487","","","0.1309","0.1438","","","","","","0.975","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154116","12.524","0.0003","9.51563","0.00011","16.6958","0.0003","90","","108.479","0.0019","90","","1887.11","0.06","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 N4 Zn -","- C21 H16 Cl2 N4 Zn -","- C84 H64 Cl8 N16 Zn4 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0295","0.0258","","","0.0644","0.0669","","","","","","1.042","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154117","12.9203","0.0002","9.79833","0.00013","16.0669","0.0003","90","","107.204","0.0019","90","","1943.02","0.06","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cd Cl2 N4 -","- C21 H16 Cd Cl2 N4 -","- C84 H64 Cd4 Cl8 N16 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","1.54184","CuKα","","0.0327","0.0279","","","0.0706","0.0736","","","","","","1.057","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154118","12.941","0.0003","9.8715","0.0002","16.0933","0.0004","90","","107.168","0.003","90","","1964.27","0.08","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cl2 Hg N4 -","- C21 H16 Cl2 Hg N4 -","- C84 H64 Cl8 Hg4 N16 -","4","1","","Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari","Transition metal ion induced hydrogelation by amino-terpyridine ligands.","Organic & biomolecular chemistry","2014","12","44","8836","8839","10.1039/c4ob01867b","","","0.71073","MoKα","","0.0358","0.0287","","","0.0643","0.0689","","","","","","1.02","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154119","11.2184","0.0005","11.0939","0.0005","15.1186","0.0007","90","","103.13","0.001","90","","1832.41","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3aa","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0506","0.04","","","0.0983","0.1053","","","","","","1.019","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154120","17.3636","0.0016","10.3459","0.0009","9.9494","0.001","90","","92.111","0.002","90","","1786.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br N O2 -","- C22 H16 Br N O2 -","- C88 H64 Br4 N4 O8 -","4","1","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0388","0.0256","","","0.0615","0.0786","","","","","","1.13","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154121","25.919","0.003","11.2554","0.0014","11.6261","0.0014","90","","101.271","0.002","90","","3326.3","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 N2 O4 -","- C44 H30 N2 O4 -","- C176 H120 N8 O16 -","4","0.5","","Yeh, Chien-Hung; Chen, Wei-Chen; Gandeepan, Parthasarathy; Hong, Ya-Chun; Shih, Cheng-Hung; Cheng, Chien-Hong","Rh(III)-catalyzed dual directing group assisted sterically hindered C-H bond activation: a unique route to meta and ortho substituted benzofurans.","Organic & biomolecular chemistry","2014","12","45","9105","9108","10.1039/c4ob01876a","","","0.71073","MoKα","","0.0723","0.0494","","","0.1252","0.1394","","","","","","1.031","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154122","13.4574","0.0005","13.4574","0.0005","23.307","0.002","90","","90","","90","","4220.9","0.4","293","","293","","","","","","","","","4","P 41","P 4w","76","","bicyclo[3.3.1]nonane-2,6-dione","","- C50 H43 N8 O4 -","- C50 H43 N8 O4 -","- C200 H172 N32 O16 -","4","1","","Wixe, Torbjörn; Christensen, Niels Johan; Lidin, Sven; Fristrup, Peter; Wärnmark, Kenneth","A short designed semi-aromatic organic nanotube - synthesis, chiroptical characterization, and host properties.","Organic & biomolecular chemistry","2014","12","44","8930","8941","10.1039/c4ob01683a","","x-ray","0.71073","MoKα","","0.3349","0.0834","","","0.1437","0.2336","","","","1.71","1.71","1.16","","","","has coordinates","201208","2020-10-21","18:00:00",""
"7154123","10.54","0.0018","18.518","0.003","16.641","0.003","90","","98.845","0.003","90","","3209.4","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 Cl N2 O6 -","- C38 H33 Cl N2 O6 -","- C152 H132 Cl4 N8 O24 -","4","1","","Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng","Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles.","Organic & biomolecular chemistry","2014","12","46","9366","","10.1039/c4ob01523a","","","0.71073","MoKα","","0.1763","0.0695","","","0.1563","0.202","","","","","","0.944","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154124","11.2629","0.0017","11.9759","0.0019","12.3346","0.0019","81.629","0.002","68.063","0.002","65.327","0.002","1402.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 F N2 O6 -","- C32 H29 F N2 O6 -","- C64 H58 F2 N4 O12 -","2","1","","Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng","Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles.","Organic & biomolecular chemistry","2014","12","46","9366","","10.1039/c4ob01523a","","","0.71073","MoKα","","0.089","0.0556","","","0.1595","0.1842","","","","","","1.018","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154125","17.5165","0.0003","5.8865","0.0001","23.614","0.0004","90","","94.997","0.001","90","","2425.61","0.07","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H27 N3 O2 -","- C32 H27 N3 O2 -","- C128 H108 N12 O8 -","4","1","","Zhang, Hong-Hao; Sun, Xiao-Xue; Liang, Jing; Wang, Yue-Ming; Zhao, Chang-Chun; Shi, Feng","Catalytic asymmetric Povarov reaction of isatin-derived 2-azadienes with 3-vinylindoles.","Organic & biomolecular chemistry","2014","12","47","9539","9546","10.1039/c4ob01741b","","","1.54178","CuKα","","0.0487","0.0441","","","0.1239","0.1322","","","","","","1.105","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154126","13.4156","0.0006","13.4156","0.0006","28.813","0.0014","90","","90","","120","","4491","0.4","173","","173","","","","","","","","","4","P 32","P 32","145","","(R)-N-(1-Phenylethyl)-2-chromonecarboxamide","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C216 H180 N12 O36 -","12","4","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","1.54178","CuKα","","0.0438","0.0438","","","0.1163","0.1164","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154127","5.9167","0.0009","10.9747","0.0017","12.2265","0.0018","64.424","0.0019","82.594","0.0019","89.995","0.0019","708.78","0.19","173","","173","","","","","","","","","4","P 1","P 1","1","","(R)-N-(1-t-Butylethyl)-2-chromonecarboxamide","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C32 H38 N2 O6 -","2","2","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0441","0.0398","","","0.1003","0.1043","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154128","12.2096","0.0009","13.7443","0.001","18.0044","0.0014","90","","90","","90","","3021.4","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","anti-HH Photodimer of (R)-N-(1-phenylethyl)-2-chromonecarboxamide","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0604","0.0469","","","0.115","0.1227","","","","","","1.017","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154129","9.7337","0.001","13.9495","0.0014","22.104","0.002","90","","90","","90","","3001.3","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (R)-N-(1-phenylethyl)-2-chromonecarboxamide","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0587","0.0424","","","0.0944","0.1111","","","","","","1.005","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154130","7.704","0.018","14.23","0.03","26.5","0.06","90","","90","","90","","2905","11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (R)-N-(1-t-butylethyl)-2-chromonecarboxamide","","- C32 H38 N2 O6 -","- C32 H38 N2 O6 -","- C128 H152 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.1081","0.0629","","","0.1531","0.1907","","","","","","1.006","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154131","8.021","0.003","15.273","0.005","21.484","0.007","90","","90","","90","","2631.9","1.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (S)-N-(1-methoxycarbonylethyl)-2-chromonecarboxamide","","- C28 H26 N2 O10 -","- C28 H26 N2 O10 -","- C112 H104 N8 O40 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0761","0.0535","","","0.1372","0.1564","","","","","","0.896","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154132","12.38","0.005","12.38","0.005","42.393","0.017","90","","90","","120","","5627","4","173","","173","","","","","","","","","4","P 65","P 65","170","","Anti-HH photodimer of (S)-N-(1-methoxycarbonylethyl)-2-chromonecarboxamide","","- C39 H41 N3 O12 -","- C39 H41 N3 O12 -","- C234 H246 N18 O72 -","6","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0865","0.0631","","","0.1416","0.1557","","","","","","0.952","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154135","32.485","0.003","5.3094","0.0004","11.662","0.0007","90","","91.786","0.007","90","","2010.4","0.3","130","0.1","130","0.1","","","","","","","","4","C 1 2 1","C 2y","5","(4S)-4-Benzyl-3-[(1R,2S)-2-octylcyclopropane-1-oyl]oxazolidinone","","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","","Shah, Sayali; White, Jonathan M.; Williams, Spencer J.","Total syntheses of cis-cyclopropane fatty acids: dihydromalvalic acid, dihydrosterculic acid, lactobacillic acid, and 9,10-methylenehexadecanoic acid.","Organic & biomolecular chemistry","2014","12","46","9427","","10.1039/c4ob01863j","","","1.5418","CuKα","","0.0681","0.0556","","","0.1287","0.1387","","","","","","0.991","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154136","7.7019","0.0004","9.4338","0.0005","10.0092","0.0005","63.0521","0.0008","68.8273","0.0007","71.1657","0.0008","593.34","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H15 N -","- C15 H15 N -","- C30 H30 N2 -","2","1","","Zhang, Wandi; Haskins, Christopher W.; Yang, Yang; Dai, Mingji","Synthesis of nitriles via palladium-catalyzed water shuffling from amides to acetonitrile.","Organic & biomolecular chemistry","2014","12","45","9109","9112","10.1039/c4ob01825g","","","0.71073","MoKα","","0.0621","0.0543","","","0.1426","0.1503","","","","","","1.06","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154137","13.3524","0.0001","9.2448","0.0001","21.2654","0.0002","90","","91.8315","0.0008","90","","2623.67","0.04","150","","150","","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","2","methyl 2-((2-benzamido-6-(2,5-dimethoxybenzamido)phenyl)ethynyl)benzoate","","- C32 H26 N2 O6 -","- C32 H26 N2 O6 -","- C128 H104 N8 O24 -","4","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","","1.5418","CuKα","","0.0389","0.0378","","0.0496","0.049","0.0496","","","","","","1.2313","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154138","11.2591","0.0007","24.5888","0.0004","9.3566","0.0001","90","","108.437","0.008","90","","2457.4","0.2","93","2","93","2","","","100","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","Compound 3","methyl 2-((2-benzamido-6-(2-hydroxy-5-methoxybenzamido)phenyl)ethynyl)benzoate","","- C31 H24 N2 O6 -","- C31 H24 N2 O6 -","- C124 H96 N8 O24 -","4","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","x-ray","1.54187","CuKα","","0.0345","0.0339","","","0.0882","0.0887","","","","","","1.059","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154139","8.3232","0.0001","15.9988","0.0003","16.915","0.0003","106.384","0.0008","101.55","0.0008","101.955","0.0008","2032.23","0.06","150","","150","","","","100","","","","synthesis","4","P -1","-P 1","2","Compound 5","tetra-n-butylammonium 2-((3-benzamido-2-((2-(methoxycarbonyl)phenyl)ethynyl)phenyl)carbamoyl)-4-methoxyphenolate","","- C47 H59 N3 O6 -","- C47 H59 N3 O6 -","- C94 H118 N6 O12 -","2","1","","Knipe, Peter C.; Jones, Ian M.; Thompson, Sam; Hamilton, Andrew D.","Remote conformational control of a molecular switch via methylation and deprotonation.","Organic & biomolecular chemistry","2014","12","46","9384","","10.1039/c4ob01991a","","","0.71073","MoKα","","0.0735","0.0441","","0.0856","0.0686","0.0856","","","","","","1.0039","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154140","10.7835","0.0004","8.1115","0.0003","19.3202","0.0007","90","","90.523","0.004","90","","1689.87","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 I N O5 -","- C17 H14 I N O5 -","- C68 H56 I4 N4 O20 -","4","1","","Xia, Xiao-Feng; Gu, Zhen; Liu, Wentao; Wang, Ningning; Wang, Haijun; Xia, Yongmei; Gao, Haiyan; Liu, Xiang","Selective oxygenation of alkynes: a direct approach to diketones and vinyl acetate.","Organic & biomolecular chemistry","2014","12","48","9909","9913","10.1039/c4ob01404a","","","0.71","MoKα","","0.039","0.0321","","","0.0741","0.0793","","","","","","1.028","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154144","11.012","0.002","13.289","0.003","18.958","0.004","90","","90","","90","","2774.3","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N O5 -","- C33 H33 N O5 -","- C132 H132 N4 O20 -","4","1","","Zanato, Chiara; Watson, Sonia; Bewick, Guy S.; Harrison, William T. A.; Zanda, Matteo","Synthesis and biological evaluation of (-)-kainic acid analogues as phospholipase D-coupled metabotropic glutamate receptor ligands.","Organic & biomolecular chemistry","2014","12","47","9638","9643","10.1039/c4ob02002b","","","1.54187","CuKα","","0.0257","0.0251","","","0.0638","0.0644","","","","","","1.048","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154145","7.8264","0.0016","11.561","0.002","16.718","0.003","96.36","0.03","95.09","0.03","102.82","0.03","1455.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N3 O3 S2 -","- C33 H30 N3 O3 S2 -","- C66 H60 N6 O6 S4 -","2","1","","Zhu, Yu; Shen, Xin-Rui; Tang, Hai-Tao; Lin, Min; Zhan, Zhuang-Ping","Silver(i)-catalyzed annulation for the regioselective synthesis of N-imino-γ-carbolinium ylides from hydrazones of indole-3-carbonyl derivatives and propargylic alcohols.","Organic & biomolecular chemistry","2014","12","47","9514","9518","10.1039/c4ob02020k","","","0.71073","MoKα","","0.0684","0.0502","","","0.1727","0.2362","","","","","","0.97","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154146","10.2471","0.0005","15.4948","0.0008","17.7996","0.0009","90","","105.211","0.005","90","","2727.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N3 O2 S -","- C35 H27 N3 O2 S -","- C140 H108 N12 O8 S4 -","4","1","","Zhu, Yu; Shen, Xin-Rui; Tang, Hai-Tao; Lin, Min; Zhan, Zhuang-Ping","Silver(i)-catalyzed annulation for the regioselective synthesis of N-imino-γ-carbolinium ylides from hydrazones of indole-3-carbonyl derivatives and propargylic alcohols.","Organic & biomolecular chemistry","2014","12","47","9514","9518","10.1039/c4ob02020k","","","0.71073","MoKα","","0.0616","0.045","","","0.1074","0.1175","","","","","","1.029","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154149","12.7896","0.0014","13.3917","0.0015","13.448","0.0015","68.542","0.002","63.471","0.001","76.053","0.002","1909.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O4 S -","- C20 H20 N2 O4 S -","- C80 H80 N8 O16 S4 -","4","2","","Ni, Fan; Yang, Yan; Shu, Wen-Ming; Ma, Jun-Rui; Wu, An-Xin","Brønsted acid promoted addition-cyclization and C-C bond cleavage: a convenient synthesis of 2-amino-5-aroylmethylthiazoles derivatives.","Organic & biomolecular chemistry","2014","12","46","9466","","10.1039/c4ob01519c","","","0.71073","MoKα","","0.0776","0.0487","","","0.1323","0.1718","","","","","","1.06","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154151","19.8","0.02","5.863","0.006","20.83","0.02","90","","101.188","0.012","90","","2372","4","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 Br N0 O3 P -","- C24 H32 Br O3 P -","- C96 H128 Br4 O12 P4 -","4","2","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1719","0.135","","","0.2983","0.3188","","","","","","1.083","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154152","12.436","0.013","5.7781","0.0007","15.9687","0.0016","90","","92.534","0.001","90","","1146.3","1.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 N0 O4 P -","- C25 H30 O4 P -","- C50 H60 O8 P2 -","2","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1811","0.1367","","","0.3229","0.3557","","","","","","1.092","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154153","5.7766","0.0004","12.208","0.0012","16.2225","0.0015","83.552","0.002","82.785","0.001","78.777","0.001","1108.71","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H37 N0 O3 P -","- C22 H37 O3 P -","- C44 H74 O6 P2 -","2","2","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.0534","0.0435","","","0.0898","0.0973","","","","","","1.032","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154154","5.8926","0.0018","18.289","0.002","22.043","","90","","90","","90","","2375.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O5 P -","- C24 H33 N O5 P -","- C96 H132 N4 O20 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1158","0.0614","","","0.1032","0.1242","","","","","","1.035","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154155","10.4511","0.0012","19.5742","0.0006","11.0005","0.0011","90","","117.362","0.002","90","","1998.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br O3 P -","- C20 H24 Br O3 P -","- C80 H96 Br4 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1627","0.0889","","","0.2117","0.2647","","","","","","1.039","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154156","24.45","0.004","5.8577","0.0007","20.328","0.003","90","","114.063","0.017","90","","2658.4","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H36 O3 P -","- C30 H37 O3 P -","- C120 H148 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1435","0.0707","","","0.1028","0.139","","","","","","1.027","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154157","15.6312","0.0013","5.9562","0.0004","19.6323","0.0017","90","","92.006","0.001","90","","1826.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Br O3 P -","- C18 H22 Br O3 P -","- C72 H88 Br4 O12 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.2615","0.1842","","","0.4463","0.4999","","","","","","1.11","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154159","15.737","0.004","14.565","0.003","20.694","0.005","90","","111.581","0.003","90","","4410.7","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O2 S2 -","- C22 H29 N O2 S2 -","- C176 H232 N8 O16 S16 -","8","2","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides.","Organic & biomolecular chemistry","2014","12","46","9337","","10.1039/c4ob01713g","","","0.71073","MoKα","","0.0943","0.083","","","0.1357","0.1404","","","","","","1.271","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154160","22.425","0.005","8.478","0.003","14.695","0.007","90","","108.438","0.004","90","","2650.4","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O2 S -","- C13 H19 N O2 S -","- C104 H152 N8 O16 S8 -","8","2","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides.","Organic & biomolecular chemistry","2014","12","46","9337","","10.1039/c4ob01713g","","","0.71073","MoKα","","0.0952","0.0809","","","0.1577","0.1662","","","","","","1.16","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154184","18.769","0.004","12.495","0.003","13.68","0.003","90","","90","","90","","3208.2","1.2","173.15","","173.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","anti-5g","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C112 H112 N32 O32 -","8","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.089","0.0825","","","0.2014","0.2066","","","","","","1.139","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154185","10.8728","0.0015","14.6282","0.0018","16.068","0.002","73.171","0.006","81.536","0.007","77.112","0.007","2375.2","0.5","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","syn-5a","","- C22 H25 Cl2 N5 O4 S -","- C22 H25 Cl2 N5 O4 S -","- C88 H100 Cl8 N20 O16 S4 -","4","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0759","0.0641","","","0.1301","0.1373","","","","","","1.126","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154186","7.764","0.003","9.345","0.004","20.472","0.009","80.083","0.016","86.694","0.016","79.18","0.013","1436.6","1","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","syn-5g","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C56 H56 N16 O16 -","4","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.1272","0.1109","","","0.3066","0.3194","","","","","","1.123","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154187","13.41","0.003","6.5061","0.0013","18.689","0.004","90","","94.61","0.03","90","","1625.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5h","","- C14 H14 N8 O4 -","- C14 H14 N8 O4 -","- C56 H56 N32 O16 -","4","1","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0634","0.0534","","","0.1803","0.2237","","","","","","1.205","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154188","18.126","0.005","14.074","0.004","16.468","0.006","90","","95.045","0.004","90","","4185","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","anti-5a","","- C21 H23 N5 O4 S -","- C21 H23 N5 O4 S -","- C168 H184 N40 O32 S8 -","8","2","","Li, Jing; Liu, Mao; Li, Qi; Tian, Hua; Shi, Yian","A facile approach to spirocyclic 2-azido indolines via azidation of indoles with ceric ammonium nitrate.","Organic & biomolecular chemistry","2014","12","48","9769","9772","10.1039/c4ob01549e","","","0.71073","MoKα","","0.0995","0.0834","","","0.1577","0.1659","","","","","","1.242","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154189","10.9779","0.0007","5.7869","0.0005","12.1402","0.001","90","","92.349","0.004","90","","770.59","0.1","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C28 H38 N2 O10 S2 -","2","1","","Denoël, Thibaut; Zervosen, Astrid; Lemaire, Christian; Joris, Bernard; Hervé, Mireille; Blanot, Didier; Zaragoza, Guillermo; Luxen, André","Enantioselective synthesis of α-benzylated lanthionines and related tripeptides for biological incorporation into E. coli peptidoglycan.","Organic & biomolecular chemistry","2014","12","48","9853","9863","10.1039/c4ob01476f","","x-ray","0.7107","MoKα","","0.0357","0.0325","","","0.068","0.0695","","","","","","1.014","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154190","5.7297","0.0003","16.224","0.0009","17.5243","0.0009","90","","90","","90","","1629.04","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N4 O5 S -","- C14 H18 N4 O5 S -","- C56 H72 N16 O20 S4 -","4","1","","Denoël, Thibaut; Zervosen, Astrid; Lemaire, Christian; Joris, Bernard; Hervé, Mireille; Blanot, Didier; Zaragoza, Guillermo; Luxen, André","Enantioselective synthesis of α-benzylated lanthionines and related tripeptides for biological incorporation into E. coli peptidoglycan.","Organic & biomolecular chemistry","2014","12","48","9853","9863","10.1039/c4ob01476f","","x-ray","0.7107","MoKα","","0.0762","0.0465","","","0.0949","0.1098","","","","","","0.854","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154192","15.0756","0.0002","15.9328","0.0003","28.2582","0.0006","90","","90","","90","","6787.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[1,3-Bis(1,3,4,6-O-benzyl-2-deoxy‒D-glucopyranoside)imidazol-2-ylidene](chloro)(1,5-cyclooctadiene)rhodium(I)","","- C79 H84 Cl N2 O10 Rh -","- C79 H84 Cl N2 O10 Rh -","- C316 H336 Cl4 N8 O40 Rh4 -","4","1","","Henderson, Alexander S.; Bower, John F.; Galan, M. Carmen","Carbohydrate-based N-heterocyclic carbenes for enantioselective catalysis.","Organic & biomolecular chemistry","2014","12","45","9180","9183","10.1039/c4ob02056a","","","0.71073","MoKα","","0.0462","0.0334","","","0.0611","0.0653","","","","","","1.013","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7204159","22.6131","0.0001","23.0681","0.0003","30.8375","0.0004","90","","90","","90","","16086.1","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Cu4 I2 N6 S4 W -","- C30 H30 Cu4 I2 N6 S4 W -","- C480 H480 Cu64 I32 N96 S64 W16 -","16","1","","Zhang, Chi; Song, Yinglin; Kühn, Fritz E.; Wang, Yuxiao; Fun, Hoongkun; Xin, Xinquan","Study on a series of pentanuclear planar 'open' clusters: synthesis, characterization, strong third-order optical nonlinearities and superior optical limiting properties","Journal of Materials Chemistry","2002","12","2","239","","10.1039/b103839g","","","0.71073","MoKα","","0.0454","0.0352","","","0.0761","0.0811","","","","","","1.097","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204160","22.5897","0.0001","22.8053","0.0003","30.1995","0.0003","90","","90","","90","","15557.7","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Br2 Cu4 N6 S4 W -","- C30 H30 Br2 Cu4 N6 S4 W -","- C480 H480 Br32 Cu64 N96 S64 W16 -","16","1","","Zhang, Chi; Song, Yinglin; Kühn, Fritz E.; Wang, Yuxiao; Fun, Hoongkun; Xin, Xinquan","Study on a series of pentanuclear planar 'open' clusters: synthesis, characterization, strong third-order optical nonlinearities and superior optical limiting properties","Journal of Materials Chemistry","2002","12","2","239","","10.1039/b103839g","","","0.71073","MoKα","","0.0747","0.0432","","","0.0977","0.1114","","","","","","1.008","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204161","22.5496","0.0001","22.7445","0.0003","30.2498","0.0004","90","","90","","90","","15514.5","0.3","293","2","293","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H30 Br2 Cu4 Mo N6 S4 -","- C30 H30 Br2 Cu4 Mo N6 S4 -","- C480 H480 Br32 Cu64 Mo16 N96 S64 -","16","1","","Zhang, Chi; Song, Yinglin; Kühn, Fritz E.; Wang, Yuxiao; Fun, Hoongkun; Xin, Xinquan","Study on a series of pentanuclear planar 'open' clusters: synthesis, characterization, strong third-order optical nonlinearities and superior optical limiting properties","Journal of Materials Chemistry","2002","12","2","239","","10.1039/b103839g","","","0.71073","MoKα","","0.0827","0.0479","","","0.0966","0.1099","","","","","","1.042","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204175","12.955","0.001","8.295","0.001","18.805","0.002","90","","91.34","0.01","90","","2020.3","0.4","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Hexane-1,6-diammonium zinc phosphate hydrogenphosphate boric-acid (1/3/2/1/1)","","- C6 H22 B N2 O15 P3 Zn3 -","- C6 H21 B N2 O15 P3 Zn3 -","- C24 H84 B4 N8 O60 P12 Zn12 -","4","1","","Michael Wiebcke","Hydrothermal synthesis and structural characterization of a new layered zincophosphate co-templated by diprotonated 1,6-diaminohexane and orthoboric acid molecules","J. Mater. Chem.","2002","12","1","143","147","10.1039/b105057p","","","0.71073","MoKα","","0.1594","0.0523","","","0.0776","0.097","","","","","","0.989","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204188","12.675","0.003","11.17","0.002","20.954","0.004","90","","99.638","0.003","90","","2924.8","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N9 -","- C36 H27 N9 -","- C144 H108 N36 -","4","1","","Pang, Jun; Tao, Ye; Freiberg, Stephan; Yang, Xiao-Ping; D'Iorio, Marie; Wang, Suning","Syntheses, structures, and electroluminescence of new blue luminescent star-shaped compounds based on 1,3,5-triazine and 1,3,5-trisubstituted benzene","Journal of Materials Chemistry","2002","12","2","206","","10.1039/b105422h","","","0.71073","MoKα","","0.1602","0.0426","","","0.0693","0.0872","","","","","","0.772","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7204189","12.89","0.004","19.438","0.006","12.707","0.004","90","","116.38","0.006","90","","2852.3","1.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 N12 -","- C33 H23 N12 -","- C132 H92 N48 -","4","1","","Pang, Jun; Tao, Ye; Freiberg, Stephan; Yang, Xiao-Ping; D'Iorio, Marie; Wang, Suning","Syntheses, structures, and electroluminescence of new blue luminescent star-shaped compounds based on 1,3,5-triazine and 1,3,5-trisubstituted benzene","Journal of Materials Chemistry","2002","12","2","206","","10.1039/b105422h","","","0.71073","MoKα","","0.4086","0.0723","","","0.1211","0.1696","","","","","","0.644","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7204198","22.9824","0.0005","7.6791","0.0003","6.6178","0.0003","90","","90","","90","","1167.94","0.07","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C1.5 N O4.5 P Zn -","- C1.5 N O4.5 P Zn -","- C12 N8 O36 P8 Zn8 -","8","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of two-dimensional layered zinc phosphates to three-dimensional and one-dimensional structures","Journal of Materials Chemistry","2002","12","4","1044","","10.1039/b105899c","","","0.71073","MoKα","","0.0772","0.0564","","0.1285","0.1188","","","","1.23","1.29","1.29","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204204","9.5009","0.0006","13.9016","0.0009","14.6728","0.001","66.442","0.002","81.618","0.002","81.938","0.002","1750.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","2","","Chen, Yu; Harrison, William T. A.; Imrie, Corrie T.; Ryder, Karl S.","Pyrrole and polypyrrole-based liquid crystals containing azobenzene mesogenic groups","Journal of Materials Chemistry","2002","12","3","579","","10.1039/b105976a","","","0.6923","synchrotron","","0.1","0.079","","","0.24","0.258","","","","","","1.11","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204205","11.8709","0.0018","7.6449","0.0012","20.891","0.004","90","","111.696","0.003","90","","1761.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C76 H72 N16 O12 -","4","1","","Chen, Yu; Harrison, William T. A.; Imrie, Corrie T.; Ryder, Karl S.","Pyrrole and polypyrrole-based liquid crystals containing azobenzene mesogenic groups","Journal of Materials Chemistry","2002","12","3","579","","10.1039/b105976a","","","0.6923","synchrotron","","0.117","0.068","","","0.18","0.198","","","","","","0.88","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204206","16.8349","0.0003","9.6773","0.0002","32.7691","0.0006","90","","90","","90","","5338.62","0.18","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C16 H38 Al10 F2 N4 O40 P10 -","- C16 H38 Al10 F2 N4 O40 P10 -","- C64 H152 Al40 F8 N16 O160 P40 -","4","1","","Wheatley, Paul S.; Love, Christopher J.; Morrison, John J.; Shannon, Ian J.; Morris, Russell E.","Synthesis of two new aluminophosphate based layered materials using Tet-A as a structure-directing agent","Journal of Materials Chemistry","2002","12","3","477","","10.1039/b106005h","","","0.6887","MonochromatedX-raysynchrotronradiation","","0.1262","0.1035","","","0.2858","0.2959","","","","","","1.029","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204207","9.4614","0.0008","11.7168","0.001","13.6647","0.0012","85.372","0.002","75.818","0.002","89.362","0.002","1463.8","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H80 Al4 Co N8 O26 P6 -","- C32 H76 Al4 Co N8 O26 P6 -","- C32 H76 Al4 Co N8 O26 P6 -","1","0.5","","Wheatley, Paul S.; Love, Christopher J.; Morrison, John J.; Shannon, Ian J.; Morris, Russell E.","Synthesis of two new aluminophosphate based layered materials using Tet-A as a structure-directing agent","Journal of Materials Chemistry","2002","12","3","477","","10.1039/b106005h","","","0.6892","MonochromatedX-raysynchrotronradiation","","0.0969","0.0878","","","0.2397","0.2518","","","","","","1.088","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204208","7.76","0.008","8.89","0.005","12.325","0.004","73.95","0.04","113.47","0.05","87.31","0.06","737.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 O8 Re2 S12 -","- C20 H16 O8 Re2 S12 -","- C20 H16 O8 Re2 S12 -","1","0.5","","Khasanov, Salavat S.; Pérez-Benítez, Aarón; Narymbetov, Bakhyt Zh.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Singleton, John; Klehe, Anne-Katrin; Laukhin, Vladimir N.; Vidal-Gancedo, José; Veciana, Jaume; Canadell, Enric; Rovira, Concepció","Interesting transport and magnetic properties in a new family of molecular materials based on the organic donor BET-TTF and the perrhenate anionElectronic supplementary information (ESI) available: overlap modes of the radical cations of 1‒3. See http://www.rsc.org/suppdata/jm/b1/b106070h/","Journal of Materials Chemistry","2002","12","3","432","","10.1039/b106070h","","","0.71073","MoKα","","0.0691","0.0653","","","0.1928","0.1979","","","","","","1.008","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204209","6.37","0.002","7.788","0.004","22.865","0.005","84.6","0.03","89.5","0.02","70.25","0.03","1062.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 O8 Re2 S18 -","- C30 H24 O8 Re2 S18 -","- C30 H24 O8 Re2 S18 -","1","0.5","","Khasanov, Salavat S.; Pérez-Benítez, Aarón; Narymbetov, Bakhyt Zh.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Singleton, John; Klehe, Anne-Katrin; Laukhin, Vladimir N.; Vidal-Gancedo, José; Veciana, Jaume; Canadell, Enric; Rovira, Concepció","Interesting transport and magnetic properties in a new family of molecular materials based on the organic donor BET-TTF and the perrhenate anionElectronic supplementary information (ESI) available: overlap modes of the radical cations of 1‒3. See http://www.rsc.org/suppdata/jm/b1/b106070h/","Journal of Materials Chemistry","2002","12","3","432","","10.1039/b106070h","","","0.71073","MoKα","","0.0848","0.0721","","","0.1464","0.1533","","","","","","1.086","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204210","10.993","0.003","19.292","0.004","17.713","0.004","120.96","0.02","89.76","0.03","91.88","0.03","3219.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H88 O18 Re4 S54 -","- C98 H88 O18 Re4 S54 -","- C98 H88 O18 Re4 S54 -","1","0.5","","Khasanov, Salavat S.; Pérez-Benítez, Aarón; Narymbetov, Bakhyt Zh.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Singleton, John; Klehe, Anne-Katrin; Laukhin, Vladimir N.; Vidal-Gancedo, José; Veciana, Jaume; Canadell, Enric; Rovira, Concepció","Interesting transport and magnetic properties in a new family of molecular materials based on the organic donor BET-TTF and the perrhenate anionElectronic supplementary information (ESI) available: overlap modes of the radical cations of 1‒3. See http://www.rsc.org/suppdata/jm/b1/b106070h/","Journal of Materials Chemistry","2002","12","3","432","","10.1039/b106070h","","","0.71073","MoKα","","0.0629","0.061","","","0.1211","0.1223","","","","","","1.098","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204217","9.203","0.001","15.776","0.002","31.587","0.004","90","","90","","90","","4586","1","293","","293","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","Bis-tetramethylammonium-tri-zinc-tetra-hydrogenphosphate","","- C8 H28 N2 O16 P4 Zn3 -","- C8 H28 N2 O16 P4 Zn3 -","- C64 H224 N16 O128 P32 Zn24 -","8","0.25","","Wiebcke, Michael","[Zn3(HPO4)4](NMe4)2: a zincophosphate containing interruptions of isolated hydrogen-bonding [H–O(P)]4 groupings within a novel three-dimensional four-connected framework","Journal of Materials Chemistry","2002","12","3","421","","10.1039/b106274n","","","0.71073","MoKα","","0.0939","0.0368","","","0.0729","0.0868","","","","","","1.02","","","","has coordinates","296804","2024-12-09","15:32:10",""
"7204223","12.38","0.003","12.38","0.003","14.558","0.005","90","","90","","120","","1932.3","0.9","298","2","298","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C H5 Be Co0.17 N0.67 O4.5 P -","- Be Co0.166667 N0.66 O4.5 P -","- Be18 Co3 N11.88 O81 P18 -","18","1","","Zhang, Haoyu; Weng, Linhong; Zhou, Yaming; Chen, Zhenxia; Sun, Jinyu; Zhao, Dongyuan","[C6N4H24]CoBe6P6O24·3H2O: a novel 3-dimensional beryllophosphate zeolite-like structure encapsulating CoII ions","Journal of Materials Chemistry","2002","12","3","658","","10.1039/b106643a","","","0.71073","MoKα","","0.0881","0.0878","","","0.1929","0.1931","","","","","","1.472","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204224","7.1353","0.0005","11.6238","0.0005","15.9011","0.0012","90","","90","","90","","1318.83","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Zn(PT)1.2(MTT)0.8(H2O)","(1-hydroxy-2(1H)-pyridinethiolato-S2,O) (3-hydroxy-4-methyl-2(3H)-thiazolethiolate-S2,O)zinc(II) hydrate","","- C9.2 H10 N2 O3 S2.8 Zn -","- C9.2 H10 N2 O3 S2.8 Zn -","- C36.8 H40 N8 O12 S11.2 Zn4 -","4","1","","Bond, Andrew D.; Benevelli, Francesca; Jones, William","Modification of the solid-state structure of bis(1-hydroxy-2(1H)-pyridinethiolato-S2,O)zinc(ii): synthesis and characterisation of a molecular solid solution incorporating 3-hydroxy-4-methyl-2(3H)-thiazolethioneElectronic supplementary information (ESI) available: lists of reflection indices and refined lattice parameters from the PXRD profiles of the single phase Zn(PT)x(MTT)2 ‒ x(H2O) products (Fig. 4). See http://www.rsc.org/suppdata/jm/b1/b106734f/","Journal of Materials Chemistry","2002","12","2","324","","10.1039/b106734f","","","0.71073","MoKα","","0.0305","0.0273","","","0.0553","0.0566","","","","","","1.088","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204225","12.51","0.003","14.584","0.003","4.6243","0.0009","90","","90","","90","","843.7","0.3","293","2","293","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Eu5 In2 Sb6 -","- Eu5 In2 Sb6 -","- Eu10 In4 Sb12 -","2","0.25","","Park, Seon-Mi; Choi, Eun Sang; Kang, Woun; Kim, Sung-Jin","Eu5In2Sb6, Eu5In2‒xZnxSb6: rare earth zintl phases with narrow band gaps","Journal of Materials Chemistry","2002","12","6","1839","","10.1039/b106812a","","","0.71073","MoKα","","0.0544","0.035","","","0.1291","0.1439","","","","","","0.877","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204227","36.596","0.004","6.445","0.001","29.798","0.003","90","","118.1","0.01","90","","6199.8","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4-bis[2-(4-tert-butylphenyl)-1,3,4-oxadiazol-5-yl]benzene toluene solvate","","- C37 H38 N4 O2 -","- C37 H38 N4 O2 -","- C296 H304 N32 O16 -","8","1","","Wang, Changsheng; Jung, Gun-Young; Batsanov, Andrei S.; Bryce, Martin R.; Petty, Michael C.","New electron-transporting materials for light emitting diodes: 1,3,4-oxadiazole‒pyridine and 1,3,4-oxadiazole‒pyrimidine hybrids","Journal of Materials Chemistry","2002","12","2","173","","10.1039/b106907c","","","0.71073","MoKα","","0.1507","0.0874","","","0.1759","0.2127","","","","","","1.098","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204228","18.7544","0.0012","11.6181","0.0007","11.4838","0.0007","90","","90.221","0.004","90","","2502.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-bis[2-(4-tert-butylphenyl)-1,3,4-oxadiazol-5-yl]pyridine","","- C29 H29 N5 O2 -","- C29 H29 N5 O2 -","- C116 H116 N20 O8 -","4","1","","Wang, Changsheng; Jung, Gun-Young; Batsanov, Andrei S.; Bryce, Martin R.; Petty, Michael C.","New electron-transporting materials for light emitting diodes: 1,3,4-oxadiazole‒pyridine and 1,3,4-oxadiazole‒pyrimidine hybrids","Journal of Materials Chemistry","2002","12","2","173","","10.1039/b106907c","","","0.71073","MoKα","","0.066","0.0465","","","0.1052","0.1176","","","","","","1.062","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204237","19.006","0.004","16.679","0.003","20.788","0.004","90","","115.04","0.03","90","","5970","2","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Mn2 N12 O0.5 S4 -","- C56 H55 Mn2 N12 O0.5 S4 -","- C224 H220 Mn8 N48 O2 S16 -","4","1","","Hou, Hongwei; Wei, Yongli; Song, Yinglin; Zhu, Yu; Li, Linke; Fan, Yaoting","Two novel two-dimensional double-sheet layered manganese(ii) coordination polymers: synthesis, crystal structures and third-order nonlinear optical properties","Journal of Materials Chemistry","2002","12","4","838","","10.1039/b107375n","","","0.71073","MoKα","","0.2047","0.0772","","0.1783","0.1412","","","","1.073","1.235","1.235","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204238","19.439","0.004","7.128","0.0014","21.489","0.004","90","","112.76","0.03","90","","2745.7","1.1","291","2","291","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Mn N10 -","- C26 H28 Mn N10 -","- C104 H112 Mn4 N40 -","4","0.5","","Hou, Hongwei; Wei, Yongli; Song, Yinglin; Zhu, Yu; Li, Linke; Fan, Yaoting","Two novel two-dimensional double-sheet layered manganese(ii) coordination polymers: synthesis, crystal structures and third-order nonlinear optical properties","Journal of Materials Chemistry","2002","12","4","838","","10.1039/b107375n","","","0.71073","MoKα","","0.0979","0.0613","","","0.0813","0.0901","","","","","","1.097","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204257","5.1623","0.0007","5.388","0.001","7.073","0.001","106.68","0.01","107.4","0.01","97.5","0.01","174.72","0.05","","","","","","","","","","","","5","P -1","-P 1","2","","","","- F Li Mg O4 S -","- F Li Mg O4 S -","- F2 Li2 Mg2 O8 S2 -","2","1","","Sebastian, Litty; Gopalakrishnan, Jagannatha; Piffard, Yves","Synthesis, crystal structure and lithium ion conductivity of LiMgFSO4","Journal of Materials Chemistry","2002","12","2","374","","10.1039/b108289m","","x-ray","0.71073","MoKα","","0.1552","0.0523","","0.0565","0.0515","","","","1.74","1.29","1.29","","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7204258","18.7573","0.0003","8.2803","0.0002","8.9225","0.0001","90","","106.815","0.001","90","","1326.56","0.04","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H2 O7 P2 Zn2 -","- C H2 O7 P2 Zn2 -","- C8 H16 O56 P16 Zn16 -","8","1","","Barthelet, K.; Merlier, C.; Serre, C.; Riou-Cavellec, M.; Riou, D.; Férey, G.","Microporous hybrid compounds: hydrothermal synthesis and characterization of two zinciomethylenediphosphonates with 3D structures, structure determination of their dehydrated formsElectronic supplementary information (ESI): final Rietveld plots for MIL-48calc and VSB-4(Zn). See http://www.rsc.org/suppdata/jm/b1/b108301p","Journal of Materials Chemistry","2002","12","4","1132","","10.1039/b108301p","","","0.71073","MoKα","","0.0294","0.0269","","0.0719","0.0704","","","","1.056","1.08","1.08","","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204259","8.9929","0.0009","5.5093","0.0006","18.025","0.002","90","","92.376","0.002","90","","892.27","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H2 Na O8.5 P2 Zn2 -","- C H2 Na O8.5 P2 Zn2 -","- C4 H8 Na4 O34 P8 Zn8 -","4","1","","Barthelet, K.; Merlier, C.; Serre, C.; Riou-Cavellec, M.; Riou, D.; Férey, G.","Microporous hybrid compounds: hydrothermal synthesis and characterization of two zinciomethylenediphosphonates with 3D structures, structure determination of their dehydrated formsElectronic supplementary information (ESI): final Rietveld plots for MIL-48calc and VSB-4(Zn). See http://www.rsc.org/suppdata/jm/b1/b108301p","Journal of Materials Chemistry","2002","12","4","1132","","10.1039/b108301p","","","0.71073","MoKα","","0.162","0.07","","0.1379","0.1078","","","","1.057","1.145","1.145","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204272","20.6948","0.0007","8.789","0.0003","7.7472","0.0003","90","","90","","90","","1409.11","0.09","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C14 H10 S5 -","- C14 H10 S5 -","- C56 H40 S20 -","4","0.5","","Pozo-Gonzalo, Cristina; Khan, Tahir; McDouall, Joseph J. W.; Skabara, Peter J.; Roberts, Donna M.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Neugebauer, Helmut; Cravino, Antonio; Sariciftci, N. Serdar","Synthesis and electropolymerisation of 3',4'-bis(alkylsulfanyl)terthiophenes and the significance of the fused dithiin ring in 2,5-dithienyl-3,4-ethylenedithiothiophene (DT-EDTT)","Journal of Materials Chemistry","2002","12","3","500","","10.1039/b109017h","","","0.71073","MoKα","","0.0231","0.0224","","","0.0579","0.0583","","","","","","1.047","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204273","15.721","0.003","8.8601","0.0018","21.597","0.004","90","","90","","90","","3008.2","1","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 S5 -","- C15 H12 S5 -","- C120 H96 S40 -","8","1","","Pozo-Gonzalo, Cristina; Khan, Tahir; McDouall, Joseph J. W.; Skabara, Peter J.; Roberts, Donna M.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Neugebauer, Helmut; Cravino, Antonio; Sariciftci, N. Serdar","Synthesis and electropolymerisation of 3',4'-bis(alkylsulfanyl)terthiophenes and the significance of the fused dithiin ring in 2,5-dithienyl-3,4-ethylenedithiothiophene (DT-EDTT)","Journal of Materials Chemistry","2002","12","3","500","","10.1039/b109017h","","","0.71073","MoKα","","0.0508","0.0337","","","0.0768","0.0854","","","","","","1.022","","","","has coordinates,has disorder","180373","2020-10-21","18:00:00",""
"7204277","11.746","0.004","11.892","0.003","20.568","0.007","90","","90","","90","","2873","1.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H14 Br2 -","- C17 H14 Br2 -","- C136 H112 Br16 -","8","1","","Destri, Silvia; Pasini, Mariacecilia; Botta, Chiara; Porzio, William; Bertini, Fabio; Marchiò, Luciano","Synthesis and crystal structure and optical properties of fluorenic-core oligomers","Journal of Materials Chemistry","2002","12","4","924","","10.1039/b109089p","","","1.54184","CuKα","","0.0704","0.0325","","","0.0651","0.0758","","","","","","0.837","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204278","16.563","0.001","16.563","0.001","20.657","0.001","90","","90","","90","","5666.9","0.6","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C33 H38 S2 -","- C33 H38 S2 -","- C264 H304 S16 -","8","0.5","","Destri, Silvia; Pasini, Mariacecilia; Botta, Chiara; Porzio, William; Bertini, Fabio; Marchiò, Luciano","Synthesis and crystal structure and optical properties of fluorenic-core oligomers","Journal of Materials Chemistry","2002","12","4","924","","10.1039/b109089p","","","0.71073","MoKα","","0.0786","0.041","","","0.0914","0.0944","","","","","","0.728","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204279","12.666","0.004","21.383","0.009","7.351","0.001","90","","90","","90","","1990.9","1.1","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H20 S2 -","- C25.06 H17 S1.933 -","- C100.24 H68 S7.732 -","4","1","","Destri, Silvia; Pasini, Mariacecilia; Botta, Chiara; Porzio, William; Bertini, Fabio; Marchiò, Luciano","Synthesis and crystal structure and optical properties of fluorenic-core oligomers","Journal of Materials Chemistry","2002","12","4","924","","10.1039/b109089p","","","0.71073","MoKα","","0.1655","0.0609","","0.1924","","0.1607","","","1.146","1.376","1.376","","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204280","12.192","0.008","7.217","0.003","13.224","0.006","90","","117.23","0.05","90","","1034.6","1","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C29 H24 -","- C29 H24 -","- C58 H48 -","2","1","","Destri, Silvia; Pasini, Mariacecilia; Botta, Chiara; Porzio, William; Bertini, Fabio; Marchiò, Luciano","Synthesis and crystal structure and optical properties of fluorenic-core oligomers","Journal of Materials Chemistry","2002","12","4","924","","10.1039/b109089p","","","0.71073","MoKα","","0.165","0.0618","","0.1664","0.1208","","","","1.008","1.149","1.149","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204282","16.7057","0.0004","7.7137","0.0002","18.8324","0.0005","90","","114.524","0.001","90","","2207.87","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H2 F6 N2 O10 Os3 -","- C15 H2 F6 N2 O10 Os3 -","- C60 H8 F24 N8 O40 Os12 -","4","1","","Chi, Yun; Yu, Huan-Li; Ching, Wei-Li; Liu, Chao-Shiuan; Chen, Yao-Lun; Chou, Tsung-Yi; Peng, Shie-Ming; Lee, Gene-Hsiang","Deposition of osmium thin films using pyrazolate complexes as CVD source reagents","Journal of Materials Chemistry","2002","12","5","1363","","10.1039/b109150f","","","0.71073","MoKα","","0.0385","0.0297","","","0.079","0.0882","","","","","","1.086","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204283","11.9181","0.0002","11.9181","0.0002","8.2009","0.0002","90","","90","","90","","1164.86","0.04","295","2","295","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C16 H2 F12 N4 O6 Os2 -","- C16 H2 F12 N4 O6 Os2 -","- C32 H4 F24 N8 O12 Os4 -","2","0.25","","Chi, Yun; Yu, Huan-Li; Ching, Wei-Li; Liu, Chao-Shiuan; Chen, Yao-Lun; Chou, Tsung-Yi; Peng, Shie-Ming; Lee, Gene-Hsiang","Deposition of osmium thin films using pyrazolate complexes as CVD source reagents","Journal of Materials Chemistry","2002","12","5","1363","","10.1039/b109150f","","","0.71073","MoKα","","0.0157","0.0146","","","0.0363","0.0365","","","","","","1.094","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204289","25.255","0.005","7.084","0.0012","8.26","0.0017","90","","98.639","0.013","90","","1461","0.5","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","H2TCNDQ","dihydro-tetracyanoquinodiphenoquinodimethane","","- C18 H10 N4 -","- C18 H10 N4 -","- C72 H40 N16 -","4","0.5","","Nishimura, Kazukuni; Khasanov, Salavat S.; Saito, Gunzi","Charge transfer, proton transfer and clathrate compounds of dihydrotetracyanodiphenoquinodimethane (H2TCNDQ) having highly acidic protonsElectronic supplementary information (ESI) available: elemental analysis results for H2TCNDQ complexes. See http://www.rsc.org/suppdata/jm/b1/b109503j/","Journal of Materials Chemistry","2002","12","6","1693","","10.1039/b109503j","","","0.71073","MoKα","","0.0873","0.0589","","","0.1421","0.1591","","","","","","1.105","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204290","5.4345","0.0007","8.718","0.001","14.358","0.001","79.531","0.008","88.09","0.009","84.89","0.01","666.17","0.13","","","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N4 O4 S4 -","- C28 H18 N4 O4 S4 -","- C28 H18 N4 O4 S4 -","1","0.5","","Nishimura, Kazukuni; Khasanov, Salavat S.; Saito, Gunzi","Charge transfer, proton transfer and clathrate compounds of dihydrotetracyanodiphenoquinodimethane (H2TCNDQ) having highly acidic protonsElectronic supplementary information (ESI) available: elemental analysis results for H2TCNDQ complexes. See http://www.rsc.org/suppdata/jm/b1/b109503j/","Journal of Materials Chemistry","2002","12","6","1693","","10.1039/b109503j","","","0.71073","MoK-alpha","","","0.038","","","0.038","","","","","0.488","0.488","","","","","has coordinates","295880","2024-11-12","08:14:39",""
"7204291","5.485","0.0005","9.056","0.001","14.437","0.0016","80.614","0.006","87.995","0.006","84.202","0.006","703.77","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(EOET)(H2TCNDQ)","","","- C28 H18 N4 O2 S6 -","- C28 H18 N4 O2 S6 -","- C28 H18 N4 O2 S6 -","1","0.5","","Nishimura, Kazukuni; Khasanov, Salavat S.; Saito, Gunzi","Charge transfer, proton transfer and clathrate compounds of dihydrotetracyanodiphenoquinodimethane (H2TCNDQ) having highly acidic protonsElectronic supplementary information (ESI) available: elemental analysis results for H2TCNDQ complexes. See http://www.rsc.org/suppdata/jm/b1/b109503j/","Journal of Materials Chemistry","2002","12","6","1693","","10.1039/b109503j","","","0.71073","MoKα","","0.0714","0.0593","","","0.1527","0.1624","","","","","","1.045","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204292","6.65","0.004","11.626","0.002","14.366","0.003","108.72","0.01","91.7","0.03","105.8","0.03","1003.8","0.7","","","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H13 N2 S4 -","- C23 H13 N2 S4 -","- C46 H26 N4 S8 -","2","1","","Nishimura, Kazukuni; Khasanov, Salavat S.; Saito, Gunzi","Charge transfer, proton transfer and clathrate compounds of dihydrotetracyanodiphenoquinodimethane (H2TCNDQ) having highly acidic protonsElectronic supplementary information (ESI) available: elemental analysis results for H2TCNDQ complexes. See http://www.rsc.org/suppdata/jm/b1/b109503j/","Journal of Materials Chemistry","2002","12","6","1693","","10.1039/b109503j","","","0.71073","MoK-alpha","","","0.041","","","0.045","","","","","0.746","0.746","","","","","has coordinates","295880","2024-11-12","08:14:39",""
"7204293","14.208","0.0017","16.706","0.002","21.054","0.0009","90","","90","","90","","4997.4","0.9","293","2","293","2","","","","","","","","3","P 21 2 21","P 2ac 2ac","18","(H-DAD+)2(TCNDQ2-)","","","- C38 H42 N8 -","- C38 H41.96 N8 -","- C228 H251.76 N48 -","6","1.5","","Nishimura, Kazukuni; Khasanov, Salavat S.; Saito, Gunzi","Charge transfer, proton transfer and clathrate compounds of dihydrotetracyanodiphenoquinodimethane (H2TCNDQ) having highly acidic protonsElectronic supplementary information (ESI) available: elemental analysis results for H2TCNDQ complexes. See http://www.rsc.org/suppdata/jm/b1/b109503j/","Journal of Materials Chemistry","2002","12","6","1693","","10.1039/b109503j","","","0.71073","MoKα","","0.1048","0.088","","","0.2483","0.2746","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204294","7.52","0.0018","10.638","0.002","14.505","0.003","111.515","0.011","97.681","0.013","92.765","0.01","1063.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","(3,3,5,5-TMB)(H2TCNDQ)2","","","- C52 H40 N10 -","- C52 H40 N10 -","- C52 H40 N10 -","1","0.5","","Nishimura, Kazukuni; Khasanov, Salavat S.; Saito, Gunzi","Charge transfer, proton transfer and clathrate compounds of dihydrotetracyanodiphenoquinodimethane (H2TCNDQ) having highly acidic protonsElectronic supplementary information (ESI) available: elemental analysis results for H2TCNDQ complexes. See http://www.rsc.org/suppdata/jm/b1/b109503j/","Journal of Materials Chemistry","2002","12","6","1693","","10.1039/b109503j","","","0.71073","MoKα","","0.0739","0.0542","","","0.1338","0.1476","","","","","","1.023","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204295","7.073","0.0012","7.338","0.0009","12.674","0.003","74.474","0.011","89.585","0.01","65.92","0.01","574.74","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","(phenazine)(H2TCNDQ)","","","- C30 H18 N6 -","- C30 H18 N6 -","- C30 H18 N6 -","1","0.5","","Nishimura, Kazukuni; Khasanov, Salavat S.; Saito, Gunzi","Charge transfer, proton transfer and clathrate compounds of dihydrotetracyanodiphenoquinodimethane (H2TCNDQ) having highly acidic protonsElectronic supplementary information (ESI) available: elemental analysis results for H2TCNDQ complexes. See http://www.rsc.org/suppdata/jm/b1/b109503j/","Journal of Materials Chemistry","2002","12","6","1693","","10.1039/b109503j","","","0.71073","MoKα","","0.0969","0.0568","","","0.125","0.148","","","","","","1.057","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204305","12.7718","0.0007","13.6139","0.0007","8.2466","0.0004","90","","119.259","0.001","90","","1250.93","0.11","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- H4.2 Na2 O14.1 Si4 U -","- Na2 O14.1 Si4 U -","- Na8 O56.4 Si16 U4 -","4","0.5","","Wang, Xiqu; Huang, Jin; Liu, Lumei; Jacobson, Allan J.","The novel open-framework uranium silicates Na2(UO2)(Si4O10)·2.1H2O (USH-1) and RbNa(UO2)(Si2O6)·H2O (USH-3)","Journal of Materials Chemistry","2002","12","3","406","","10.1039/b109878k","","","0.71073","MoKα","","0.0493","0.0456","","","0.1292","0.1339","","","","","","1.064","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204306","7.3668","0.0005","7.8691","0.0006","8.1766","0.0006","78.024","0.001","75.013","0.001","83.741","0.001","447.14","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- H2 Na O9 Rb Si2 U -","- Na O9 Rb Si2 U -","- Na2 O18 Rb2 Si4 U2 -","2","1","","Wang, Xiqu; Huang, Jin; Liu, Lumei; Jacobson, Allan J.","The novel open-framework uranium silicates Na2(UO2)(Si4O10)·2.1H2O (USH-1) and RbNa(UO2)(Si2O6)·H2O (USH-3)","Journal of Materials Chemistry","2002","12","3","406","","10.1039/b109878k","","","0.71073","MoKα","","0.0485","0.0469","","","0.1374","0.1391","","","","","","1.143","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204312","13.373","0.007","5.3282","0.0011","8.926","0.004","90","0.02","100.65","0.04","90","0.02","625.1","0.5","110","","110","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- K1.33 O32 P4 W8 -","- K1.30688 O32 P4 W8 -","- K1.30688 O32 P4 W8 -","1","0.5","","Dusek, Michal; Lüdecke, Jens; van Smaalen, Sander","Crystal structure of monophosphate tungsten bronze K1.33P4W8O32 at 110 K","Journal of Materials Chemistry","2002","12","5","1408","","10.1039/b109982p","","x-ray","0.59","synchrotron","","0.0507","0.0283","","","0.053","0.0597","","","","2.48","2.48","2.19","","","","has coordinates","190383","2020-10-21","18:00:00",""
"7204313","10.297","0.0012","10.7861","0.0012","21.258","0.002","90","","90","","90","","2361","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 O6 Zr -","- C18 H40 O6 Zr -","- C72 H160 O24 Zr4 -","4","1","","Williams, Paul A.; Roberts, John L.; Jones, Anthony C.; Chalker, Paul R.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.","Novel mononuclear zirconium and hafnium alkoxides; improved precursors for the MOCVD of ZrO2 and HfO2","Journal of Materials Chemistry","2002","12","2","165","","10.1039/b109994a","","","0.71073","MoKα","","0.0452","0.0389","","","0.099","0.103","","","","","","0.728","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204314","10.1972","0.0008","10.7413","0.0008","21.3221","0.0017","90","","90","","90","","2335.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 Hf O6 -","- C18 H40 Hf O6 -","- C72 H160 Hf4 O24 -","4","1","","Williams, Paul A.; Roberts, John L.; Jones, Anthony C.; Chalker, Paul R.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.","Novel mononuclear zirconium and hafnium alkoxides; improved precursors for the MOCVD of ZrO2 and HfO2","Journal of Materials Chemistry","2002","12","2","165","","10.1039/b109994a","","","0.71073","MoKα","","0.0254","0.0247","","","0.0606","0.0609","","","","","","1.077","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204321","10.9493","0.0005","10.9493","0.0005","26.7099","0.0013","90","","90","","120","","2773.2","0.2","298","2","298","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Sodium zinc arsenate","","","- As3 H12 Na3 O19 Zn4 -","- As3 H12 Na3 O19 Zn4 -","- As18 H72 Na18 O114 Zn24 -","6","0.333333","","Yeates, Rachel M.; Harrison, William T. A.","Synthesis, crystal structure and properties of Na3Zn4O(AsO4)3·6H2O, a new framework zincoarsenate","Journal of Materials Chemistry","2002","12","4","1103","","10.1039/b110288e","","","0.71073","MoKα","","0.0239","0.0211","","","0.0419","0.0423","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204322","4.274","0.004","11.114","0.003","37.426","0.004","90","","90","","90","","1777.8","1.7","293.2","","","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C20 H8 Au I4 N4 S8 Se4 -","- C20 H8 Au I4 N4 S8 Se4 -","- C40 H16 Au2 I8 N8 S16 Se8 -","2","0.25","","Imakubo, Tatsuro; Tajima, Naoya; Tamura, Masafumi; Kato, Reizo; Nishio, Yutaka; Kajita, Koji","A supramolecular superconductor θ-(DIETS)2[Au(CN)4]","Journal of Materials Chemistry","2002","12","2","159","","10.1039/b110303b","","","0.7107","MoKα","","","0","","","","0.0415","","","","","","1.167","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204326","7.213","0.003","19.856","0.005","4.041","0.0009","92.08","0.01","89.61","0.02","95.59","0.01","575.6","0.3","295","2","","","","","","","","","Local laboratory","5","P 1","P 1","1","","","","- C22 H12 N4 O2 S6 -","- C22 H12 N4 O2 S6 -","- C22 H12 N4 O2 S6 -","1","1","","Saito, Gunzi; Sasaki, Hiroshi; Aoki, Takashi; Yoshida, Yukihiro; Otsuka, Akihiro; Yamochi, Hideki; Drozdova, Olga O.; Yakushi, Kyuya; Kitagawa, Hiroshi; Mitani, Tadaoki","Complex formation of ethylenedioxyethylenedithiotetrathiafulvalene (EDOEDT-TTF: EOET) and its self-assembling ability","Journal of Materials Chemistry","2002","12","6","1640","","10.1039/b110605h","","","0.71073","MoK-alpha","","","0.057","","","0.134","","","","","1.071","1.071","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204327","9.887","0.004","12.024","0.004","9.387","0.004","94.75","0.03","109.87","0.04","103.17","0.03","1006.1","0.8","295","2","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","?","- C34 H24 N4 O6 S12 -","- C34 H24 N4 O6 S12 -","1","0.5","","Saito, Gunzi; Sasaki, Hiroshi; Aoki, Takashi; Yoshida, Yukihiro; Otsuka, Akihiro; Yamochi, Hideki; Drozdova, Olga O.; Yakushi, Kyuya; Kitagawa, Hiroshi; Mitani, Tadaoki","Complex formation of ethylenedioxyethylenedithiotetrathiafulvalene (EDOEDT-TTF: EOET) and its self-assembling ability","Journal of Materials Chemistry","2002","12","6","1640","","10.1039/b110605h","","","0.71073","MoK-alpha","","","0.055","","","0.064","","","","","1.276","1.276","","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204328","7.62","0.0006","12.973","0.002","13.247","0.002","90","","91.316","0.008","90","","1309.2","0.3","295","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 N8 O2 S8 -","- C22 N8 O2 S8 -","- C44 N16 O4 S16 -","2","0.5","","Saito, Gunzi; Sasaki, Hiroshi; Aoki, Takashi; Yoshida, Yukihiro; Otsuka, Akihiro; Yamochi, Hideki; Drozdova, Olga O.; Yakushi, Kyuya; Kitagawa, Hiroshi; Mitani, Tadaoki","Complex formation of ethylenedioxyethylenedithiotetrathiafulvalene (EDOEDT-TTF: EOET) and its self-assembling ability","Journal of Materials Chemistry","2002","12","6","1640","","10.1039/b110605h","","","0.71073","MoKα","","0.0699","0.0699","","0.1707","0.1707","","","","1.209","1.209","1.209","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204329","7.541","0.001","9.169","0.0008","15.216","0.002","93.948","0.007","101.68","0.006","106.924","0.008","976.5","0.2","295","2","","","","","","","","","Local laboratory","4","P 1","P 1","1","","","","?","- C34 N16 O2 S10 -","- C34 N16 O2 S10 -","1","1","","Saito, Gunzi; Sasaki, Hiroshi; Aoki, Takashi; Yoshida, Yukihiro; Otsuka, Akihiro; Yamochi, Hideki; Drozdova, Olga O.; Yakushi, Kyuya; Kitagawa, Hiroshi; Mitani, Tadaoki","Complex formation of ethylenedioxyethylenedithiotetrathiafulvalene (EDOEDT-TTF: EOET) and its self-assembling ability","Journal of Materials Chemistry","2002","12","6","1640","","10.1039/b110605h","","","0.71073","MoK-alpha","","","0.063","","","0.161","","","","","1.264","1.264","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204330","8.12","0.0005","12","0.0009","10.967","0.0005","69.558","0.004","108.343","0.004","104.786","0.004","937.68","0.11","295","2","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C26 H16 I4 O6 S12 -","- C26 H16 I4 O6 S12 -","- C26 H16 I4 O6 S12 -","1","0.5","","Saito, Gunzi; Sasaki, Hiroshi; Aoki, Takashi; Yoshida, Yukihiro; Otsuka, Akihiro; Yamochi, Hideki; Drozdova, Olga O.; Yakushi, Kyuya; Kitagawa, Hiroshi; Mitani, Tadaoki","Complex formation of ethylenedioxyethylenedithiotetrathiafulvalene (EDOEDT-TTF: EOET) and its self-assembling ability","Journal of Materials Chemistry","2002","12","6","1640","","10.1039/b110605h","","","0.71073","MoK-alpha","","","0.033","","","0.099","","","","","1.029","1.029","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204336","11.243","0.002","8.113","0.001","20.822","0.004","90","","101.537","0.003","90","","1860.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-β-(N-propyl-2-benzothiazolium) -α-cyano-4-(2,3,5,6-tetrafluoro)styryldicyanomethanide","","- C22 H12 F4 N4 S -","- C22 H12 F4 N4 S -","- C88 H48 F16 N16 S4 -","4","1","","Norman A. Bell; David J. Crouch; Derek J. Simmonds; Andres E. Goeta; Thomas Gelbrich; Michael B. Hursthouse","Structural and solvatochromic studies of a series of tricyanoquinodimethane-based zwitterions","J. Mater. Chem.","2002","12","5","1274","1279","10.1039/b111392p","","","0.71073","MoKα","","0.0436","0.033","","","0.0788","0.0853","","","","","","1.086","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204337","8.0663","0.0003","9.4561","0.0002","12.8115","0.0005","83.317","0.002","81.489","0.001","89.601","0.002","959.83","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(Z)-β-(N-butyl-2-benzoselenozolium) -α-cyano-4-styryldicyanomethanide","","- C23 H18 N4 Se -","- C23 H18 N4 Se -","- C46 H36 N8 Se2 -","2","1","","Norman A. Bell; David J. Crouch; Derek J. Simmonds; Andres E. Goeta; Thomas Gelbrich; Michael B. Hursthouse","Structural and solvatochromic studies of a series of tricyanoquinodimethane-based zwitterions","J. Mater. Chem.","2002","12","5","1274","1279","10.1039/b111392p","","","0.71073","MoKα","","0.0629","0.0401","","","0.0732","0.0784","","","","","","0.996","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204338","5.9096","0.0002","5.90965","","14.6101","0.0003","90","","90","","120","","441.879","0.017","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Gd O9 Ru2 -","- Ba3 Gd O9 Ru2 -","- Ba6 Gd2 O18 Ru4 -","2","0.0833333","","Doi, Yoshihiro; Hinatsu, Yukio","Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure","Journal of Materials Chemistry","2002","12","6","1792","","10.1039/b111504a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288318","2023-12-14","17:14:09",""
"7204339","5.8763","0.0002","5.87635","","14.4794","0.0004","90","","90","","120","","433.005","0.019","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Er O9 Ru2 -","- Ba3 Er O9 Ru2 -","- Ba6 Er2 O18 Ru4 -","2","0.0833333","","Doi, Yoshihiro; Hinatsu, Yukio","Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure","Journal of Materials Chemistry","2002","12","6","1792","","10.1039/b111504a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288318","2023-12-14","17:14:09",""
"7204340","5.8838","0.0002","5.8838","","14.5064","0.0005","90","","90","","120","","434.92","0.02","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 Ho O9 Ru2 -","- Ba3 Ho O9 Ru2 -","- Ba6 Ho2 O18 Ru4 -","2","0.0833333","","Doi, Yoshihiro; Hinatsu, Yukio","Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure","Journal of Materials Chemistry","2002","12","6","1792","","10.1039/b111504a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288318","2023-12-14","17:14:09",""
"7204341","5.8686","0.0002","5.86862","","14.4537","0.0004","90","","90","","120","","431.102","0.019","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 O9 Ru2 Tm -","- Ba3 O9 Ru2 Tm -","- Ba6 O18 Ru4 Tm2 -","2","0.0833333","","Doi, Yoshihiro; Hinatsu, Yukio","Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure","Journal of Materials Chemistry","2002","12","6","1792","","10.1039/b111504a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288318","2023-12-14","17:14:09",""
"7204342","5.8616","0.0002","5.86161","","14.4321","0.0004","90","","90","","120","","429.431","0.019","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba3 O9 Ru2 Yb -","- Ba3 O9 Ru2 Yb -","- Ba6 O18 Ru4 Yb2 -","2","0.0833333","","Doi, Yoshihiro; Hinatsu, Yukio","Magnetic and calorimetric studies on Ba3LnRu2O9 (Ln = Gd, Ho–Yb) with 6H-perovskite structure","Journal of Materials Chemistry","2002","12","6","1792","","10.1039/b111504a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","288318","2023-12-14","17:14:09",""
"7204356","6.949","0.002","17.398","0.006","7.903","0.003","90","","90","","90","","955.5","0.6","298","2","298","2","","","","","","","","6","C m m a","-C 2a 2","67","","","","- C0 H11 Al N0 O10 P2 -","- Al H7 O10 P2 -","- Al4 H28 O40 P8 -","4","0.25","","Li, Niu; Xiang, Shouhe","Hydrothermal synthesis and crystal structure of two novel aluminophosphites containing infinite Al‒O‒Al chainsElectronic supplementary information (ESI) available: XRD patterns and views of NKX-1 and NKX-4. See http://www.rsc.org/suppdata/jm/b2/b200507g/","Journal of Materials Chemistry","2002","12","5","1397","","10.1039/b200507g","","","0.71073","MoKα","","0.0626","0.0397","","","0.085","0.0918","","","","","","0.96","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204357","29.123","0.017","6.772","0.004","6.851","0.004","90","","92.991","0.01","90","","1349.3","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H21 Al N2 O7 P2 -","- C6 H18 Al N2 O7 P2 -","- C24 H72 Al4 N8 O28 P8 -","4","0.5","","Li, Niu; Xiang, Shouhe","Hydrothermal synthesis and crystal structure of two novel aluminophosphites containing infinite Al‒O‒Al chainsElectronic supplementary information (ESI) available: XRD patterns and views of NKX-1 and NKX-4. See http://www.rsc.org/suppdata/jm/b2/b200507g/","Journal of Materials Chemistry","2002","12","5","1397","","10.1039/b200507g","","","0.71073","MoKα","","0.0845","0.0532","","","0.1148","0.1286","","","","","","0.904","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204373","7.057","0.0007","7.1618","0.0008","9.0246","0.0009","90","","91.087","0.002","90","","456.03","0.08","496","2","496","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba2 F Nb O9 P2 -","- Ba2 F Nb O9 P2 -","- Ba4 F2 Nb2 O18 P4 -","2","0.5","","Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.","Hydrothermal synthesis and structures of the novel niobium phosphates Ba2[NbOF(PO4)2] and Ba3[Nb3O3F(PO4)4(HPO4)](H2O)7","Journal of Materials Chemistry","2002","12","6","1824","","10.1039/b201701f","","","0.71073","MoKα","","0.019","0.0186","","","0.0439","0.0441","","","","","","1.224","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204374","9.4824","0.0006","15.0067","0.0009","18.4897","0.0011","90","","90","","90","","2631.1","0.3","293","2","293","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- Ba3 F H14 Nb3 O30 P5 -","- Ba2.9844 F Nb3 O29.434 P5.002 -","- Ba11.9376 F4 Nb12 O117.736 P20.008 -","4","0.25","","Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.","Hydrothermal synthesis and structures of the novel niobium phosphates Ba2[NbOF(PO4)2] and Ba3[Nb3O3F(PO4)4(HPO4)](H2O)7","Journal of Materials Chemistry","2002","12","6","1824","","10.1039/b201701f","","","0.71073","MoKα","","0.0488","0.0402","","","0.1003","0.1042","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204382","18.419","0.005","17.565","0.005","20.638","0.005","90","","109.861","0.005","90","","6280","3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","C70Ar3Tl","","","- C103 H20 Cl4 F9 Tl -","- C103 H20 Cl4 F9 Tl -","- C412 H80 Cl16 F36 Tl4 -","4","1","","Sawamura, Masaya; Toganoh, Motoki; Iikura, Hitoshi; Matsuo, Yutaka; Hirai, Atsushi; Nakamura, Eiichi","Cu(i)-mediated regioselective tri-addition of Grignard reagent to [70]fullerene. Synthesis of indenyl-type metal ligand embedded into graphitic structure","Journal of Materials Chemistry","2002","12","7","2109","","10.1039/b202130g","","","0.71073","MoKα","","0.2232","0.0972","","","0.2408","0.3192","","","","","","1.015","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204387","15.252","0.004","16.083","0.005","6.8902","0.0009","100.22","0.02","98.09","0.02","100.55","0.02","1608.8","0.7","100","","","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H29 As2 Cl F12 N8 O4 S16 -","- C54 H29 As2 Cl F12 N8 O4 S16 -","- C54 H29 As2 Cl F12 N8 O4 S16 -","1","0.5","","Uruichi, M.; Yakushi, K.; Shirahata, T.; Takahashi, K.; Mori, T.; Nakamura, T.","Structural phase transition in quasi-one-dimensional conductors (BDTFP)2X(PhCl)0.5 (X = PF6 and AsF6) [BDTFP = 5,7-bis(1,3-dithiol-2-ylidene)-5,7-dihydrofuro[3,4-b]pyrazine; PhCl = chlorobenzene]","Journal of Materials Chemistry","2002","12","9","2696","","10.1039/b202259c","","","0.7107","MoKα","","","0.0648","","","","0.087","","","","","","1.725","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204388","15.628","0.003","16.285","0.007","6.9693","0.0007","100.28","0.02","102.86","0.01","97.13","0.03","1676.5","0.8","290","","","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H29 As2 Cl F12 N8 O4 S16 -","- C54 H28 As2 Cl F12 N8 O4 S16 -","- C54 H28 As2 Cl F12 N8 O4 S16 -","1","0.5","","Uruichi, M.; Yakushi, K.; Shirahata, T.; Takahashi, K.; Mori, T.; Nakamura, T.","Structural phase transition in quasi-one-dimensional conductors (BDTFP)2X(PhCl)0.5 (X = PF6 and AsF6) [BDTFP = 5,7-bis(1,3-dithiol-2-ylidene)-5,7-dihydrofuro[3,4-b]pyrazine; PhCl = chlorobenzene]","Journal of Materials Chemistry","2002","12","9","2696","","10.1039/b202259c","","","0.7107","MoKα","","","0.0757","","","","0.103","","","","","","1.941","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204389","15.159","0.004","16.159","0.003","13.749","0.002","103.585","0.01","99.92","0.02","78.7","0.02","3181.9","1.2","90","","","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H29 Cl F12 N8 O4 P2 S16 -","- C54 H29 Cl F12 N8 O4 P2 S16 -","- C108 H58 Cl2 F24 N16 O8 P4 S32 -","2","1","","Uruichi, M.; Yakushi, K.; Shirahata, T.; Takahashi, K.; Mori, T.; Nakamura, T.","Structural phase transition in quasi-one-dimensional conductors (BDTFP)2X(PhCl)0.5 (X = PF6 and AsF6) [BDTFP = 5,7-bis(1,3-dithiol-2-ylidene)-5,7-dihydrofuro[3,4-b]pyrazine; PhCl = chlorobenzene]","Journal of Materials Chemistry","2002","12","9","2696","","10.1039/b202259c","","","0.7107","MoKα","","","0.0513","","","","0.0668","","","","","","1.225","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204390","15.438","0.005","16.147","0.002","6.9811","0.0008","100.911","0.009","101.81","0.02","97.25","0.02","1647.8","0.6","290","","","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H29 Cl F12 N8 O4 P2 S16 -","- C54 H28 Cl F12 N8 O4 P2 S16 -","- C54 H28 Cl F12 N8 O4 P2 S16 -","1","0.5","","Uruichi, M.; Yakushi, K.; Shirahata, T.; Takahashi, K.; Mori, T.; Nakamura, T.","Structural phase transition in quasi-one-dimensional conductors (BDTFP)2X(PhCl)0.5 (X = PF6 and AsF6) [BDTFP = 5,7-bis(1,3-dithiol-2-ylidene)-5,7-dihydrofuro[3,4-b]pyrazine; PhCl = chlorobenzene]","Journal of Materials Chemistry","2002","12","9","2696","","10.1039/b202259c","","","0.7107","MoKα","","","0.0473","","","","0.0502","","","","","","1.656","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204402","11.216","0.005","11.216","0.005","8.954","0.005","90","0.005","90","0.005","90","0.005","1126.4","0.9","293","2","293","2","","","","","","","","6","I -4","I -4","82","","","","- C8 H16 Cd K2 O24 Zr -","- C8 H16 Cd K2 O24 Zr -","- C16 H32 Cd2 K4 O48 Zr2 -","2","0.25","","Erwann Jeanneau; Nathalie Audebrand; Daniel Louër","Synthesis, crystal structure and thermal behaviour of CdZrK2(C2O4)4·8H2O","J. Mater. Chem.","2002","12","8","2383","2389","10.1039/b202463m","","","0.71069","MoKα","","0.0228","0.0207","","","0.0459","0.0468","","","","","","1.099","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204405","6.03828","0.00001","9.44267","0.00002","12.07438","0.00003","90","","90","","90","","688.451","0.003","","","","","","","","","","","","4","P m c n","-P 2n 2a","62","Bismuth Lead Vanadate","","","- Bi O6 Pb2 V -","- Bi4 O24 Pb8 V4 -","- Bi4 O24 Pb8 V4 -","","","","Evans, Ivana Radosavljevic; Evans, John S. O.; Howard, Judith A. K.","Variable temperature structural study of bismuth lead vanadate, BiPb2VO6","Journal of Materials Chemistry","2002","12","9","2648","","10.1039/b202648a","","","","","","","","","","","","","","","","","","","","","has coordinates","277889","2022-09-15","15:31:09",""
"7204406","7.71529","0.00001","5.84864","0.00001","29.08203","0.00003","90","","94.255","0.00004","90","","1308.68","0.003","","","","","","","","","","","","4","P 1 n 1","P -2yac","7","Bismuth Lead Vanadate","","","- Bi O6 Pb2 V -","- Bi8 O48 Pb16 V8 -","- Bi8 O48 Pb16 V8 -","","","","Evans, Ivana Radosavljevic; Evans, John S. O.; Howard, Judith A. K.","Variable temperature structural study of bismuth lead vanadate, BiPb2VO6","Journal of Materials Chemistry","2002","12","9","2648","","10.1039/b202648a","","","","","","","","","","","","","","","","","","","","","has coordinates","277890","2022-09-15","15:36:09",""
"7204416","16.63","0.05","16.63","0.06","16","0.03","90","","90","","120","","3832","19","293","","293","","","","","","","","synthesized","4","P 3","P 3","143","","","","- C158 H158 N34 O45 -","- C53 H52 N11 O15 -","- C159 H156 N33 O45 -","3","1","","Mukhopadhyay, Pritam; Bharadwaj, Parimal K.; Savitha, G.; Krishnan, Anu; Das, Puspendu K.","A new class of three dimensional D-π-A trigonal cryptand derivatives for second-order nonlinear optics","Journal of Materials Chemistry","2002","12","8","2237","","10.1039/b202770b","","","0.71073","MoK-alpha","","0.113","0.066","","0.109","0.065","","","","2.903","2.321","2.321","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204417","12.473","0.004","21.974","0.005","36.982","0.017","90","","90","","90","","10136","6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C53 H57 N9 O9 -","- C53 H57 N9 O9 -","- C424 H456 N72 O72 -","8","1","","Mukhopadhyay, Pritam; Bharadwaj, Parimal K.; Savitha, G.; Krishnan, Anu; Das, Puspendu K.","A new class of three dimensional D-π-A trigonal cryptand derivatives for second-order nonlinear optics","Journal of Materials Chemistry","2002","12","8","2237","","10.1039/b202770b","","","0.71073","MoK-alpha","","0.2868","0.0695","","","0.1541","0.211","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204418","11.798","0.002","12.137","0.007","19.707","0.006","89.51","0.06","79.11","0.02","75.62","0.04","2682.1","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H54 N12 O15 -","- C53 H54 N12 O15 -","- C106 H108 N24 O30 -","2","1","","Mukhopadhyay, Pritam; Bharadwaj, Parimal K.; Savitha, G.; Krishnan, Anu; Das, Puspendu K.","A new class of three dimensional D-π-A trigonal cryptand derivatives for second-order nonlinear optics","Journal of Materials Chemistry","2002","12","8","2237","","10.1039/b202770b","","","0.71073","MoKα","","0.3104","0.084","","","0.2234","0.3421","","","","","","0.935","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204419","13.2413","0.0011","12.5696","0.0008","15.3847","0.0011","90","","95.004","0.006","90","","2550.8","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","7,7-bis(N,N-dimethylethylenediamino)-8,8- dicyanoquinodimethane : terephthalic acid","","- C26 H32 N6 O4 -","- C26 H32 N6 O4 -","- C104 H128 N24 O16 -","4","1","","Jayanty, S.; Gangopadhyay, P.; Radhakrishnan, T. P.","Steering molecular dipoles from centrosymmetric to a noncentrosymmetric and SHG active assembly using remote functionality and complexationElectronic supplementary information (ESI) available: powder SHG variation with particle size for DMEDQ-TPA. See http://www.rsc.org/suppdata/jm/b2/b202804m/","Journal of Materials Chemistry","2002","12","9","2792","","10.1039/b202804m","","","0.71073","MoKα","","0.1131","0.0502","","","0.1171","0.1173","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204420","13.121","0.003","10.192","0.004","15.463","0.002","90","","111.94","0.02","90","","1918.1","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7,7-bis(N,N-dimethylethylenediamino)- 8,8-dicyanoquinodimethane","","- C18 H26 N6 -","- C18 H26 N6 -","- C72 H104 N24 -","4","1","","Jayanty, S.; Gangopadhyay, P.; Radhakrishnan, T. P.","Steering molecular dipoles from centrosymmetric to a noncentrosymmetric and SHG active assembly using remote functionality and complexationElectronic supplementary information (ESI) available: powder SHG variation with particle size for DMEDQ-TPA. See http://www.rsc.org/suppdata/jm/b2/b202804m/","Journal of Materials Chemistry","2002","12","9","2792","","10.1039/b202804m","","","0.71073","MoKα","","0.2158","0.0483","","","0.1298","0.1904","","","","","","0.946","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204438","28.856","0.004","7.518","0.003","16.377","0.005","90","","106.73","0.02","90","","3402.4","1.8","299.2","","299.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 N Ni S6 -","- C30 H34 N Ni0.5 S6.75 -","- C120 H136 N4 Ni2 S27 -","4","0.5","","Kean, Christopher L.; Miller, David O.; Pickup, Peter G.","Thiophene-substituted nickel dithiolene complexes. Precursors for low band gap conjugated metallopolymers","Journal of Materials Chemistry","2002","12","10","2949","","10.1039/b204090e","","","0.7107","MoKα","","0.2242","0.098","","0.1","","0.094","","","2.274","","","3.31","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204439","14.522","0.002","19.507","0.002","8.667","0.001","101.18","0.01","98.39","0.01","79.837","0.009","2354.9","0.5","299.2","","299.2","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N1.5 Ni1.5 S12 -","- C39 H48 N1.25 Ni1.25 S13.125 -","- C78 H96 N2.5 Ni2.5 S26.25 -","2","1","","Kean, Christopher L.; Miller, David O.; Pickup, Peter G.","Thiophene-substituted nickel dithiolene complexes. Precursors for low band gap conjugated metallopolymers","Journal of Materials Chemistry","2002","12","10","2949","","10.1039/b204090e","","","0.7107","MoKα","","0.1529","0.063","","0.054","","0.05","","","1.995","","","2.49","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204444","11.6342","0.0012","4.1608","0.0005","40.513","0.005","90","","98.07","0.006","90","","1941.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(ethylenedithio)tetrathiafulvalenium bis(1,2,5-thiadizole-3,4-dithiol) iron(III)","","- C24 H16 Fe N4 S22 -","- C24 H16 Fe N4 S22 -","- C48 H32 Fe2 N8 S44 -","2","0.5","","Paola Deplano; Laura Leoni; Maria Laura Mercuri; John A. Schlueter; Urs Geiser; Hau H. Wang; Aravinda M. Kini; Jamie L. Manson; Carlos J. Gómez-García; Eugenio Coronado; H.-J. Koo; M.-H. Whangbo","A two-dimensional radical salt based upon BEDT-TTF and the dimeric, magnetic anion [Fe(tdas)2]22−: (BEDT-TTF)2[Fe(tdas)2](tdas = 1,2,5-thiadiazole-3,4-dithiolate)","J. Mater. Chem.","2002","12","12","3570","3577","10.1039/b204435h","","","0.71073","MoKα","","0.2474","0.1918","","","0.4787","0.4876","","","","","","2.569","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204460","9.2463","0.0018","33.461","0.007","7.2285","0.0014","90","","90","","90","","2236.4","0.8","150","2","150","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H13 N O -","- C14 H13 N O -","- C112 H104 N8 O8 -","8","1","","Huck, Deborah M.; Loc Nguyen, H.; Coles, Simon J.; Hursthouse, Michael B.; Donnio, Bertrand; Bruce, Duncan W.","Mesomorphic silver(i) complexes of 4-alkyloxy-2???-stilbazoles and 4-alkyloxy-3???-stilbazoles. Crystal and molecular structure of 4-methoxy-2???-stilbazoleElectronic supplementary information (ESI) available: bond lengths and angles for 4-methoxy-2???-stilbazole. See http://www.rsc.org/suppdata/jm/b2/b204820e/","Journal of Materials Chemistry","2002","12","10","2879","","10.1039/b204820e","","","0.71073","MoKα","","0.0722","0.0576","","","0.1372","0.1471","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204477","11.1674","0.0004","7.763","0.0003","24.1683","0.0009","90","","90.73","0.001","90","","2095.04","0.14","569","2","569","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(phenyl)-(3'-nitrobenzo[d])-(4''-diethylaminobenzo[h])-1,3-dioxa-6-aza-2-boracyclonon-6-ene","","- C23 H22 B N3 O4 -","- C23 H22 B N3 O4 -","- C92 H88 B4 N12 O16 -","4","1","","Horacio Reyes; Blanca M. Muñoz; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima; Pascal G. Lacroix; Keitaro Nakatani","Synthesis, crystal structures, and quadratic nonlinear optical properties in a series of push‒pull boronate derivatives","J. Mater. Chem.","2002","12","10","2898","2903","10.1039/b205308j","","","0.71073","MoKα","","0.0613","0.0441","","","0.1154","0.125","","","","","","1.051","","","","has coordinates","194582","2020-10-21","18:00:00",""
"7204478","11.229","","15.668","","12.587","","90","","108.23","","90","","2103.36","","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","2-(4-fluorophenyl)-(3'-nitrobenzo[d])-(4''-diethylaminobenzo[h])-1,3-dioxa-6-aza-2-boracyclonon-6-ene","","- C23 H21 B F N3 O4 -","- C23 H21 B F N3 O4 -","- C92 H84 B4 F4 N12 O16 -","4","1","","Horacio Reyes; Blanca M. Muñoz; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima; Pascal G. Lacroix; Keitaro Nakatani","Synthesis, crystal structures, and quadratic nonlinear optical properties in a series of push‒pull boronate derivatives","J. Mater. Chem.","2002","12","10","2898","2903","10.1039/b205308j","","x-ray","0.71073","MoKα","","0.1578","0.0502","","","0.1249","0.1641","","","","","","1.059","","","","has coordinates","194582","2020-10-21","18:00:00",""
"7204479","11.27","0.03","16.565","0.009","12.27","0.012","90","0.06","107.45","0.04","90","0.09","2185","6","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","2-(4-Bromophenyl)-(3'-nitrobenzo[d])-(4''-diethylaminobenzo[h])-1,3-dioxa-6-aza-2-boracyclonon-6-ene","","- C23 H21 B Br N3 O4 -","- C23 H21 B Br N3 O4 -","- C92 H84 B4 Br4 N12 O16 -","4","1","","Horacio Reyes; Blanca M. Muñoz; Norberto Farfán; Rosa Santillan; Susana Rojas-Lima; Pascal G. Lacroix; Keitaro Nakatani","Synthesis, crystal structures, and quadratic nonlinear optical properties in a series of push‒pull boronate derivatives","J. Mater. Chem.","2002","12","10","2898","2903","10.1039/b205308j","","x-ray","0.71073","MoKα","","0.1605","0.0431","","","0.1111","0.1524","","","","","","0.973","","","","has coordinates","194582","2020-10-21","18:00:00",""
"7204480","11.0215","0.0002","12.7768","0.0002","13.2584","0.0001","98.494","0.001","102.203","0.001","114.022","0.001","1608.65","0.05","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Cu F12 N2 O4 -","- C14 H20 Cu F12 N2 O4 -","- C42 H60 Cu3 F36 N6 O12 -","3","1.5","","Chi, Yun; Hsu, Peng-Fu; Liu, Chao-Shiuan; Ching, Wei-Li; Chou, Tsung-Yi; Carty, Arthur J.; Peng, Shie-Ming; Lee, Gene-Hsiang; Chuang, Shiow-Huey","Fluorinated aminoalkoxide CuII complexes: new CVD precursors for deposition of copper metal","Journal of Materials Chemistry","2002","12","12","3541","","10.1039/b205419a","","","0.71073","MoKα","","0.0614","0.0435","","0.1011","0.0932","","","","1.013","1.034","1.034","","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204481","9.9469","0.0004","10.7389","0.0004","12.824","0.0005","65.919","0.001","74.578","0.001","83.479","0.001","1205.57","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H26 Cu F12 N2 O3 -","- C16 H26 Cu F12 N2 O3 -","- C32 H52 Cu2 F24 N4 O6 -","2","1","","Chi, Yun; Hsu, Peng-Fu; Liu, Chao-Shiuan; Ching, Wei-Li; Chou, Tsung-Yi; Carty, Arthur J.; Peng, Shie-Ming; Lee, Gene-Hsiang; Chuang, Shiow-Huey","Fluorinated aminoalkoxide CuII complexes: new CVD precursors for deposition of copper metal","Journal of Materials Chemistry","2002","12","12","3541","","10.1039/b205419a","","","0.71073","MoKα","","0.0513","0.0291","","","0.0604","0.0637","","","","","","1.006","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204502","6.6605","0.0001","26.7013","0.0006","10.0256","0.0003","90","","104.874","0.001","90","","1723.25","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","lanthanum ethylenediammonium sulfate hexahydrate","","","- C6 H42 La2 N6 O30 S6 -","- C6 H42 La2 N6 O30 S6 -","- C12 H84 La4 N12 O60 S12 -","2","0.5","","Thierry Bataille; Daniel Louër","Two new diamine templated lanthanum sulfates, La2(H2O)2(C4H12N2)(SO4)4 and La2(H2O)2(C2H10N2)3(SO4)6·4H2O, with 3D and 2D crystal structures","J. Mater. Chem.","2002","12","12","3487","3493","10.1039/b207212m","","","0.71073","MoKα","","0.0919","0.0426","","","0.0744","0.0882","","","","","","0.988","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204503","16.7936","0.0002","9.5858","0.0001","22.5827","0.0003","90","0.005","104.216","0.0004","90","0.005","3524.03","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","lanthanum piperazine sulfate dihydrate","","","- C4 H16 La2 N2 O18 S4 -","- C4 H16 La2 N2 O18 S4 -","- C32 H128 La16 N16 O144 S32 -","8","2","","Thierry Bataille; Daniel Louër","Two new diamine templated lanthanum sulfates, La2(H2O)2(C4H12N2)(SO4)4 and La2(H2O)2(C2H10N2)3(SO4)6·4H2O, with 3D and 2D crystal structures","J. Mater. Chem.","2002","12","12","3487","3493","10.1039/b207212m","","","0.71073","MoKα","","0.0752","0.043","","","0.097","0.1144","","","","","","1.068","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204507","5.3419","0.0008","15.232","0.002","11.084","0.003","90","0","90","0","90","0","901.9","0.3","","","295","","","","","","","","?","4","P b c a","-P 2ac 2ab","61","","","","- Bi Ge O5 Y -","- Bi Ge O5 Y -","- Bi8 Ge8 O40 Y8 -","8","1","","Concepción Cascales; Juan Antonio Campa; Enrique Gutiérrez Puebla; M. Angeles Monge; Caridad Ruíz Valero; Isidoro Rasines","New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series","J. Mater. Chem.","2002","12","12","3626","3630","10.1039/b207638c","","","0.7107","MoKα","","","3.9","","12.3","","4.6","","","","","","0.8","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204508","5.315","0.002","15.225","0.002","11.025","0.002","90","0","90","0","90","0","892.2","0.4","","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- Bi Ge O5 Yb -","- Bi Ge O5 Yb -","- Bi8 Ge8 O40 Yb8 -","8","1","","Concepción Cascales; Juan Antonio Campa; Enrique Gutiérrez Puebla; M. Angeles Monge; Caridad Ruíz Valero; Isidoro Rasines","New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series","J. Mater. Chem.","2002","12","12","3626","3630","10.1039/b207638c","","","0.7107","MoKα","","4","4.9","","","","","","","","","","0.9","","","","has coordinates","191973","2020-10-21","18:00:00",""
"7204518","8.3456","0.0004","9.1508","0.0003","27.9462","0.0014","90","","91.735","0.002","90","","2133.24","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 N2 -","- C29 H22 N2 -","- C116 H88 N8 -","4","1","","C. Q. Ma; L. Q. Zhang; J. H. Zhou; X. S. Wang; B. W. Zhang; Y. Cao; P. Bugnon; M. Schaer; F. Nüesch; D. Q. Zhang; Y. Qiu","1,3-Diphenyl-5-(9-phenanthryl)-4,5-dihydro-1H-pyrazole (DPPhP): structure, properties, and application in organic light-emitting diodes","J. Mater. Chem.","2002","12","12","3481","3486","10.1039/b208130j","","","0.71073","MoKα","","0.1057","0.0563","","","0.1342","0.1554","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204519","8.4101","0.0002","7.809","0.0002","13.6228","0.0005","90","","104.763","0.001","90","","865.14","0.04","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N-dimethylpyrrolidinium thiocyanate","","- C7 H14 N2 S -","- C7 H14 N2 S -","- C28 H56 N8 S4 -","4","1","","Pringle, Jennifer M.; Golding, Jake; Forsyth, Craig M.; Deacon, Glen B.; Forsyth, Maria; MacFarlane, Douglas R.","Physical trends and structural features in organic salts of the thiocyanate anion","Journal of Materials Chemistry","2002","12","12","3475","","10.1039/b208372h","","","0.71073","MoKα","","0.0641","0.0355","","","0.0854","0.0967","","","","","","0.993","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204989","11.068","0.002","14.472","0.002","17.82","0.003","90","","90","","90","","2854.3","0.8","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N2 -","- C38 H31 N2 -","- C152 H124 N8 -","4","1","","Kennedy, Alan R.; Smith, W. Ewen; Tackley, Daniel R.; David, William I. F.; Shankland, Kenneth; Brown, Bev; Teat, Simon J.","Tetraaryl biphenyl diamine hole transport materials: a structural study utilizing both single crystal and high resolution powder diffraction","Journal of Materials Chemistry","2002","12","2","168","","10.1039/b107278c","","","0.6892","synchrotron","","0.0868","0.0668","","","0.1485","0.1561","","","","","","1.065","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7205001","4.6598","0.0007","5.6862","0.0009","4.9159","0.0007","90","","90.521","0.003","90","","130.25","0.03","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","CoMoO4-II","","","- Co Mo O4 -","- Co Mo O4 -","- Co2 Mo2 O8 -","2","0.5","","Livage, Carine; Hynaux, Amélie; Marrot, Jérôme; Nogues, Marc; Férey, Gérard","Solution process for the synthesis of the “high-pressure” phase CoMoO4 and X-ray single crystal resolution","Journal of Materials Chemistry","2002","12","5","1423","","10.1039/b110760g","","","0.71073","MoKα","","0.0329","0.027","","0.0687","0.066","","","","1.05","1.086","1.086","","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205020","5.318","0.001","15.358","0.002","10.804","0.002","90","","95.65","0.02","90","","878.1","0.3","297","","297","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Imidazolium acetophosphonate","","","- C5 H9 N2 O5 P -","- C5 H9 N2 O5 P -","- C20 H36 N8 O20 P4 -","4","1","","Videnova-Adrabińska, Veneta","Ring templated nanochannel architecture of imidazolium phosphonoacetate","Journal of Materials Chemistry","2002","12","10","2931","2935","10.1039/b202064p","","","0.71073","MoKα","","","0.05","","","","0.065","","","","","","1.88","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205031","16.124","0.0017","16.124","0.0017","7.6023","0.0011","90","","90","","120","","1711.7","0.4","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","copper hydroxymethylphosphonate","copper hydroxymethylphosphonate","","- C H3 Cu O4 P -","- C H2 Cu O4 P -","- C18 H36 Cu18 O72 P18 -","18","1","","Hix, Gary B.; Turner, Adele; Kariuki, Benson M.; Tremayne, Maryjane; MacLean, Elizabeth J.","Strategies for the synthesis of porous metal phosphonate materialsBasis of a presentation given at Materials Discussion No. 5, 22???25 September 2002, Madrid, Spain.","Journal of Materials Chemistry","2002","12","11","3220","","10.1039/b204131f","","","0.71073","MoKα","","0.0336","0.0309","","","0.0814","0.0826","","","","","","0.619","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205032","9.556","0.0013","12.611","0.002","5.2318","0.0008","90","","90","","90","","630.49","0.16","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","zinc amidomethylphosphonate","","","- C2 H6 N O5 P Zn -","- C2 H4 N O5 P Zn -","- C8 H16 N4 O20 P4 Zn4 -","4","1","","Hix, Gary B.; Turner, Adele; Kariuki, Benson M.; Tremayne, Maryjane; MacLean, Elizabeth J.","Strategies for the synthesis of porous metal phosphonate materialsBasis of a presentation given at Materials Discussion No. 5, 22???25 September 2002, Madrid, Spain.","Journal of Materials Chemistry","2002","12","11","3220","","10.1039/b204131f","","","0.71069","MoKα","","0.0313","0.0311","","","0.0831","0.0833","","","","","","1.085","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205033","4.925","0.0003","22.0972","0.0003","12.9038","0.0003","90","","99.245","0.002","90","","1386.06","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trizinc dicarboxymethylphosphonate hydrate","trizinc dicarboxymethylphosphonate hydrate","","- C4 H6.76 O11.38 P2 Zn3 -","- C4 H4 O11.382 P2 Zn3 -","- C16 H16 O45.528 P8 Zn12 -","4","1","","Hix, Gary B.; Turner, Adele; Kariuki, Benson M.; Tremayne, Maryjane; MacLean, Elizabeth J.","Strategies for the synthesis of porous metal phosphonate materialsBasis of a presentation given at Materials Discussion No. 5, 22???25 September 2002, Madrid, Spain.","Journal of Materials Chemistry","2002","12","11","3220","","10.1039/b204131f","","","0.71073","MoKα","","0.0778","0.0649","","","0.1589","0.1654","","","","","","1.051","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205035","8.8667","0.0014","7.1872","0.0011","10.8038","0.0017","90","","91.653","0.003","90","","688.2","0.19","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Neodymium sulfate amonium","","","- H4 N Nd O8 S2 -","- H4 N Nd O8 S2 -","- H16 N4 Nd4 O32 S8 -","4","1","","Ruiz-Valero, Caridad; Cascales, Concepción; Gómez-Lor, Berta; Gutiérrez-Puebla, Enrique; Iglesias, Marta; Monge, M. Angeles; Snejko, Natalia","New catalytically active neodymium sulfate","Journal of Materials Chemistry","2002","12","10","3073","3077","10.1039/b205215f","","","0.71073","MoKα","","0.0865","0.0658","","","0.1536","0.1618","","","","","","0.965","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205036","8.8605","0.0008","7.1183","0.0007","10.669","0.001","90","","91.324","0.002","90","","672.73","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Europium Sulfate Ammonium","","","- Eu H4 N O8 S2 -","- Eu H4 N O8 S2 -","- Eu4 H16 N4 O32 S8 -","4","1","","Ruiz-Valero, Caridad; Cascales, Concepción; Gómez-Lor, Berta; Gutiérrez-Puebla, Enrique; Iglesias, Marta; Monge, M. Angeles; Snejko, Natalia","New catalytically active neodymium sulfate","Journal of Materials Chemistry","2002","12","10","3073","3077","10.1039/b205215f","","","0.71073","MoKα","","0.0531","0.0376","","","0.0823","0.0881","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205046","20.9674","0.0003","14.5059","0.0002","10.9862","0.0001","90","","117.825","0.002","90","","2955.12","0.08","295","","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N,N'-diphenyl-N,N'-bis(4,4'-methylphenyl)-[(1,1'-biphenyl)]-4,4'-diamine","","- C38 H32 N2 -","- C38 H32 N2 -","- C152 H128 N8 -","4","1","","Kennedy, Alan R.; Smith, W. Ewen; Tackley, Daniel R.; David, William I. F.; Shankland, Kenneth; Brown, Bev; Teat, Simon J.","Tetraaryl biphenyl diamine hole transport materials: a structural study utilizing both single crystal and high resolution powder diffraction","Journal of Materials Chemistry","2002","12","2","168","","10.1039/b107278c","powder diffraction","","0.80008","","","","","","","","","","","3.26","","","","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7209321","3.5617","0.0004","11.4103","0.0013","12.0524","0.0014","71.286","0.002","83.404","0.002","87.609","0.002","460.84","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 Cd N6 O2 -","- C7 H4 Cd N6 O2 -","- C14 H8 Cd2 N12 O4 -","2","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0218","0.0213","","","0.0544","0.0547","","","","","","1.148","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209322","3.6149","0.0002","11.4499","0.0007","12.1649","0.0008","70.789","0.001","82.385","0.001","86.674","0.001","471.22","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H4 Cd N10 -","- C5 H4 Cd N10 -","- C10 H8 Cd2 N20 -","2","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0188","0.0178","","","0.0455","0.0461","","","","","","1.062","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209323","12.51","0.003","12.902","0.003","12.175","0.003","90","","116.431","0.003","90","","1759.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co2 N20 O2 S4 -","- C24 H20 Co2 N20 O2 S4 -","- C48 H40 Co4 N40 O4 S8 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0542","0.0387","","","0.0848","0.0911","","","","","","1.061","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209324","8.3799","0.0019","19.526","0.004","10.357","0.002","90","","90","","90","","1694.7","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C12 H8 Cd N10 S2 -","- C12 H8 Cd N10 S2 -","- C48 H32 Cd4 N40 S8 -","4","","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.031","0.0238","","","0.0546","0.0579","","","","","","1.008","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209325","8.6882","0.0007","12.6477","0.001","9.0639","0.0007","90","","111.736","0.001","90","","925.18","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Mn N10 O2 S2 -","- C12 H12 Mn N10 O2 S2 -","- C24 H24 Mn2 N20 O4 S4 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0316","0.0292","","","0.0776","0.0798","","","","","","1.076","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209326","11.918","0.005","11.34","0.005","12.434","0.005","90","0.005","115.472","0.005","90","0.005","1517.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N10 O2 Zn -","- C12 H8 N10 O2 Zn -","- C48 H32 N40 O8 Zn4 -","4","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71069","MoKα","","0.049","0.0386","","","0.0936","0.0993","","","","","","1.009","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209327","12.3178","0.0008","12.8907","0.0008","12.1015","0.0008","90","","115.818","0.001","90","","1729.73","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N20 Ni2 O2 S4 -","- C24 H20 N20 Ni2 O2 S4 -","- C48 H40 N40 Ni4 O4 S8 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0751","0.0462","","","0.0954","0.1058","","","","","","1.028","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209328","8.3561","0.0008","9.8609","0.0009","11.2066","0.001","86.6056","0.0014","71.833","0.0013","71.3906","0.0013","830.67","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 N10 S2 Zn -","- C12 H8 N10 S2 Zn -","- C24 H16 N20 S4 Zn2 -","2","1","","Ana B. Caballero; Antonio Rodríguez-Diéguez; Elisa Barea; Miguel Quirós; Juan M. Salas","Influence of Pseudohalide Ligands on the Structural Versatility and Properties of Novel Ternary Metal Complexes with 1,2,4-Triazolo[1,5-a]pyrimidine","CrystEngComm","2010","12","","3038","3045","10.1039/c003285a","","","0.71073","MoKα","","0.0388","0.0335","","","0.0892","0.0922","","","","","","1.076","","","","has coordinates,has Fobs","180424","2020-10-21","18:00:00",""
"7209391","4.6708","","4.6708","","6.037","","90","","90","","120","","114.06","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Li Au Sn","","- Au Li Sn -","- Au Li Sn -","- Au2 Li2 Sn2 -","2","0.0833333","","Wu Zhi-Yun; Johrendt, D.; Poettgen, R.; Hoffmann, R.D.","The stannides Li Au Sn and Li Au3 Sn4 - syntheses, structure and chemical bonding","Journal of Materials Chemistry","2002","12","","676","680","10.1039/b109381a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209416","4.4831","","4.4831","","20.557","","90","","90","","120","","357.806","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Li Au3 Sn4","","- Au3 Li Sn4 -","- Au3 Li Sn4 -","- Au6 Li2 Sn8 -","2","0.166667","","Johrendt, D.; Wu Zhi-Yun; Poettgen, R.; Hoffmann, R.D.","The stannides Li Au Sn and Li Au3 Sn4 - syntheses, structure and chemical bonding","Journal of Materials Chemistry","2002","12","","676","680","10.1039/b109381a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211496","12.2357","0.0012","7.5855","0.0008","31.232","0.003","90","","90","","90","","2898.8","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(dimorpholinomethyl)phenol","2-(dimorpholinomethyl)phenol","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C120 H176 N16 O24 -","8","1","","Hernández-Altamirano, Raúl; Mena-Cervantes, Violeta Y.; Perez-Miranda, Sandra; Fernández, Francisco J.; Flores-Sandoval, Cesar Andres; Barba, Victor; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.","Molecular design and QSAR study of low acute toxicity biocides with 4,4′-dimorpholyl-methane core obtained by microwave-assisted synthesis","Green Chemistry","2010","12","6","1036","","10.1039/b905153h","","","0.71073","MoKα","","0.0792","0.0661","","","0.1404","0.1466","","","","","","1.268","","","","has coordinates","287896","2023-11-30","16:33:03",""
"7211497","7.0621","0.0007","13.9243","0.0014","16.421","0.0016","90","","90","","90","","1614.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-bromo-2-(dimorpholinomethyl)phenol","4-bromo-2-(dimorpholinomethyl)phenol","","- C15 H21 Br N2 O3 -","- C15 H21 Br N2 O3 -","- C60 H84 Br4 N8 O12 -","4","1","","Hernández-Altamirano, Raúl; Mena-Cervantes, Violeta Y.; Perez-Miranda, Sandra; Fernández, Francisco J.; Flores-Sandoval, Cesar Andres; Barba, Victor; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.","Molecular design and QSAR study of low acute toxicity biocides with 4,4′-dimorpholyl-methane core obtained by microwave-assisted synthesis","Green Chemistry","2010","12","6","1036","","10.1039/b905153h","","","0.71073","MoKα","","0.0306","0.0266","","","0.0646","0.0664","","","","","","1.06","","","","has coordinates","287896","2023-11-30","16:33:04",""
"7211498","11.637","0.008","10.801","0.007","19.312","0.013","90","","103.443","0.01","90","","2361","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4-di-tert-butyl-6-(dimorpholinomethyl)phenol","2,4-di-tert-butyl-6-(dimorpholinomethyl)phenol","","- C23 H38 N2 O3 -","- C23 H38 N2 O3 -","- C92 H152 N8 O12 -","4","1","","Hernández-Altamirano, Raúl; Mena-Cervantes, Violeta Y.; Perez-Miranda, Sandra; Fernández, Francisco J.; Flores-Sandoval, Cesar Andres; Barba, Victor; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.","Molecular design and QSAR study of low acute toxicity biocides with 4,4′-dimorpholyl-methane core obtained by microwave-assisted synthesis","Green Chemistry","2010","12","6","1036","","10.1039/b905153h","","","0.71073","MoKα","","0.0613","0.0504","","","0.1241","0.1313","","","","","","1.049","","","","has coordinates,has disorder","287896","2023-11-30","16:33:04",""
"7211499","15.067","0.003","10.15","0.002","9.665","0.002","90","","104.544","0.004","90","","1430.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-(pyridin-2-ylmethylene)dimorpholine","4,4'-(pyridin-2-ylmethylene)dimorpholine","","- C14 H21 N3 O2 -","- C14 H21 N3 O2 -","- C56 H84 N12 O8 -","4","1","","Hernández-Altamirano, Raúl; Mena-Cervantes, Violeta Y.; Perez-Miranda, Sandra; Fernández, Francisco J.; Flores-Sandoval, Cesar Andres; Barba, Victor; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.","Molecular design and QSAR study of low acute toxicity biocides with 4,4′-dimorpholyl-methane core obtained by microwave-assisted synthesis","Green Chemistry","2010","12","6","1036","","10.1039/b905153h","","","0.71073","MoKα","","0.0592","0.0474","","","0.1036","0.1097","","","","","","1.125","","","","has coordinates","287896","2023-11-30","16:33:04",""
"7211500","17.142","0.003","12.882","0.003","6.9096","0.0014","90","","93.74","0.03","90","","1522.6","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 O6 Sm -","- C17 H11 O6 Sm -","- C68 H44 O24 Sm4 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0247","0.0221","","","0.0518","0.054","","","","","","1.093","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211501","17.138","0.003","12.861","0.003","6.8991","0.0014","90","","93.74","0.03","90","","1517.4","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Eu O6 -","- C17 H11 Eu O6 -","- C68 H44 Eu4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0252","0.0231","","","0.0553","0.0564","","","","","","1.033","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211502","17.125","0.003","12.821","0.003","6.8828","0.0014","90","","93.58","0.03","90","","1508.2","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Gd O6 -","- C17 H11 Gd O6 -","- C68 H44 Gd4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0327","0.0301","","","0.0725","0.0741","","","","","","1.013","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211503","17.106","0.003","12.758","0.003","6.8875","0.0014","90","","93.57","0.03","90","","1500.2","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 O6 Tb -","- C17 H11 O6 Tb -","- C68 H44 O24 Tb4 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0469","0.0356","","","0.0784","0.0843","","","","","","1.023","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211504","17.06","0.003","12.622","0.003","6.8426","0.0014","90","","93.46","0.03","90","","1470.7","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Er O6 -","- C17 H11 Er O6 -","- C68 H44 Er4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0246","0.0231","","","0.0585","0.0595","","","","","","1.024","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211505","16.1997","0.0011","12.1675","0.0006","7.4866","0.0004","90","","101.014","0.002","90","","1448.5","0.14","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Eu O6 -","- C17 H11 Eu O6 -","- C68 H44 Eu4 O24 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0587","0.0578","","","0.1932","0.1949","","","","","","1.062","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211506","19.867","0.004","5.4816","0.0011","20.025","0.004","90","","108.56","0.03","90","","2067.4","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 La O8 -","- C24 H19 La O8 -","- C96 H76 La4 O32 -","4","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0289","0.0238","","","0.0546","0.0564","","","","","","1.076","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211507","7.4342","0.0015","8.7266","0.0017","16.572","0.003","82.87","0.03","88.85","0.03","71.41","0.03","1010.9","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 O8 Tb -","- C24 H19 O8 Tb -","- C48 H38 O16 Tb2 -","2","1","","Deng, Zhao-Peng; Huo, Li-Hua; Wang, Huan-Yu; Gao, Shan; Zhao, Hui","A series of three-dimensional lanthanide metal‒organic frameworks with biphenylethene-4,4′-dicarboxylic acid: Hydrothermal syntheses and structures","CrystEngComm","2010","12","5","1526","","10.1039/b905736f","","","0.71073","MoKα","","0.0368","0.0321","","","0.0744","0.0902","","","","","","1.122","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211508","24.044","0.008","14.343","0.004","16.688","0.005","90","","100.552","0.004","90","","5658","3","243.1","","243.1","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H63 Fe2 N21 Ni3 O6 -","- C30 H50 Fe2 N21 Ni3 O6 -","- C120 H200 Fe8 N84 Ni12 O24 -","4","0.5","","Ohba, Masaaki; Yoneda, Ko; Kitagawa, Susumu","Guest-responsive porous magnetic frameworks using polycyanometallates","CrystEngComm","2010","12","1","159","","10.1039/b906442g","","","0.7107","MoKα","","","0.0628","","","","0.2049","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211509","7.844","0.018","14.31","0.03","12.96","0.03","90","","90.07","0.03","90","","1455","6","343.1","","343.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cr Mn N8 -","- C10 H13 Cr Mn N8 -","- C40 H52 Cr4 Mn4 N32 -","4","1","","Ohba, Masaaki; Yoneda, Ko; Kitagawa, Susumu","Guest-responsive porous magnetic frameworks using polycyanometallates","CrystEngComm","2010","12","1","159","","10.1039/b906442g","","","0.7107","MoKα","","","0.0984","","","","0.1368","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211510","7.68","0.003","14.499","0.005","16.596","0.005","90","","97.323","0.005","90","","1832.9","1.1","243.1","","243.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Cr Mn N8 O2 -","- C10 H17 Cr Mn N8 O2 -","- C40 H68 Cr4 Mn4 N32 O8 -","4","1","","Ohba, Masaaki; Yoneda, Ko; Kitagawa, Susumu","Guest-responsive porous magnetic frameworks using polycyanometallates","CrystEngComm","2010","12","1","159","","10.1039/b906442g","","","0.7107","MoKα","","","0.0647","","","","0.0955","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211511","18.268","0.009","15.504","0.008","15.428","0.009","102.53","0.01","113.29","0.02","99.97","0.01","3751","4","293","2","293","2","","","","","","","","5","P 1","P 1","1","cyclomaltoheptaose + 3-ethyl-4-methyl-N-(2-(4-((4- methylcyclohexyl)carbamoyl sulfamoyl)phenyl)ethyl) sulfamoyl)phenyl)ethyl)-2-oxo-5H-pyrrole-1-carboxamide inclusion complex","cyclomaltoheptaose + 3-ethyl-4-methyl-N-[2-[4- [(4-methylcyclohexyl)carbamoyl sulfamoyl]phenyl]ethyl] sulfamoyl]phenyl]ethyl]-2-oxo-5H-pyrrole-1-carboxamide inclusion complex","","- C90.02 H91 N1.1 O89.52 S0.22 -","- C90.02 H91 N1.1 O89.52 S0.22 -","- C90.02 H91 N1.1 O89.52 S0.22 -","1","1","","Paulidou, Anastasia; Maffeo, Davide; Yannakopoulou, Konstantina; Mavridis, Irene M.","Similar modes of inclusion in complexes of β-cyclodextrin with sulfonylurea hypoglycemic drugs","CrystEngComm","2010","12","2","517","","10.1039/b908128c","","","1.5418","CuKa","","0.1069","0.0856","","","0.2279","0.2528","","","","","","1.126","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211512","19.225","0.011","24.547","0.014","15.708","0.009","90","","109.65","0.02","90","","6981","7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","cyclomaltoheptaose + 1-butyl-3-(p-toluenesulfonyl)urea inclusion complex","cyclomaltoheptaose + 1-butyl-3-(p-toluenesulfonyl)urea inclusion complex","","- C190 H216.64 N4 O179.08 S2 -","- C47.5 H54.16 N O44.78 S0.5 -","- C190 H216.64 N4 O179.12 S2 -","4","1","","Paulidou, Anastasia; Maffeo, Davide; Yannakopoulou, Konstantina; Mavridis, Irene M.","Similar modes of inclusion in complexes of β-cyclodextrin with sulfonylurea hypoglycemic drugs","CrystEngComm","2010","12","2","517","","10.1039/b908128c","","","1.5418","CuKa","","0.1526","0.0973","","","0.2387","0.2951","","","","","","1.067","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211513","18.497","0.005","24.186","0.006","15.336","0.006","90","0.04","111.13","0.03","90","0.03","6400","4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","cyclomaltoheptaose + 1-(hexahydro-1H-azepin-1-yl)-3-(p- toluenesulfonyl)urea inclusion complex","cyclomaltoheptaose + 1-(hexahydro-1H-azepin-1-yl)-3- (p-toluenesulfonyl)urea inclusion complex","","- C188.52 H206.8 N4.56 O174.48 S1.52 -","- C47.13 H51.7 N1.14 O43.62 S0.38 -","- C188.52 H206.8 N4.56 O174.48 S1.52 -","4","1","","Paulidou, Anastasia; Maffeo, Davide; Yannakopoulou, Konstantina; Mavridis, Irene M.","Similar modes of inclusion in complexes of β-cyclodextrin with sulfonylurea hypoglycemic drugs","CrystEngComm","2010","12","2","517","","10.1039/b908128c","","","0.8015","SYNCHROTRON","","0.079","0.0784","","","0.2183","0.2199","","","","","","1.24","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211514","21.6476","0.0012","8.0624","0.0004","17.599","0.0009","90","","103.582","0.003","90","","2985.7","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Ag5 N9 O15 -","- C20 H16 Ag5 N9 O15 -","- C80 H64 Ag20 N36 O60 -","4","0.5","","Pramanik, Avijit; Das, Gopal","Precursory Ag-bipyridine 2D coordination polymer: a new and efficient route for the synthesis of Ag nanoparticles","CrystEngComm","2010","12","2","401","","10.1039/b908446k","","","0.71073","MoKα","","0.039","0.0364","","","0.09","0.0915","","","","","","1.214","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211515","6.4228","0.0003","8.6856","0.0004","16.7228","0.0008","90","","101.002","0.006","90","","915.75","0.08","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cl N O2 -","- C9 H8 Cl N O2 -","- C36 H32 Cl4 N4 O8 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0454","","","","0.1457","","","","","","1.101","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211516","8.8242","0.0005","11.6495","0.0013","12.8506","0.0012","90","","104.574","0.006","90","","1278.5","0.2","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 Cl N2 O2 -","- C15 H9 Cl N2 O2 -","- C60 H36 Cl4 N8 O8 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54179","CuKα","","","0.0365","","","","0.0983","","","","","","1.035","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211517","8.5903","0.0001","9.1128","0.0001","9.3181","0.0001","90","","105.736","0.001","90","","702.098","0.014","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl2 N2 O4 -","- C10 H16 Cl2 N2 O4 -","- C20 H32 Cl4 N4 O8 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0384","","","","0.1088","","","","","","1.109","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211518","7.1312","0.0001","11.8937","0.0001","15.3644","0.0002","90","","103.206","0.001","90","","1268.69","0.03","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C48 H36 Cl8 N4 O16 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0337","","","","0.1005","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211519","7.5343","0.0003","9.1981","0.0004","9.7929","0.0005","101.951","0.004","103.166","0.004","98.562","0.004","632.66","0.05","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C24 H18 Cl4 N2 O8 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54179","CuKα","","","0.0362","","","","0.1055","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211520","7.6088","0.0008","10.3187","0.0006","13.2129","0.001","90","","97.033","0.008","90","","1029.58","0.15","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl2 N O2 -","- C9 H9 Cl2 N O2 -","- C36 H36 Cl8 N4 O8 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0485","","","","0.1328","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211521","4.214","0.0001","19.9252","0.0004","13.3364","0.0003","90","","98.591","0.002","90","","1107.22","0.04","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 Cl2 N O3 -","- C9 H11 Cl2 N O3 -","- C36 H44 Cl8 N4 O12 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","","1.54184","CuKα","","","0.0279","","","","0.0736","","","","","","1.055","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211522","4.9601","0.0002","8.499","0.0004","16.415","0.0007","88.135","0.004","84.817","0.003","88.068","0.004","688.47","0.05","293","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl2 N Na O5 -","- C12 H10 Cl2 N Na O5 -","- C24 H20 Cl4 N2 Na2 O10 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0318","","","","0.0907","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211523","9.575","0.005","28.271","0.005","15.831","0.005","90","0.005","99.42","0.005","90","0.005","4228","3","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Cl2 N O4 -","- C8 H9 Cl2 N O4 -","- C128 H144 Cl32 N16 O64 -","16","4","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","","1.5418","CuKα","","","0.0413","","","","0.1194","","","","","","1.029","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211524","8.7169","0.0004","8.7529","0.0004","15.8026","0.0006","85.44","0.003","75.118","0.004","66.352","0.004","1067.04","0.09","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 Cl2 N O4 -","- C8 H9 Cl2 N O4 -","- C32 H36 Cl8 N4 O16 -","4","2","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54179","CuKα","","","0.0623","","","","0.1869","","","","","","1.077","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211525","13.1988","0.0005","8.9661","0.0003","30.9737","0.0009","90","","95.401","0.003","90","","3649.2","0.2","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 Cl2 N2 O7 -","- C17 H16 Cl2 N2 O7 -","- C136 H128 Cl16 N16 O56 -","8","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.0582","","","","0.1567","","","","","","1.015","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211526","30.417","0.004","6.7259","0.0002","25.341","0.004","90","","145.35","0.03","90","","2948","2","293","2","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H20 Cl N3 O7 -","- C9 H20 Cl N3 O7 -","- C72 H160 Cl8 N24 O56 -","8","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka","Salts and co-crystals of chloranilic acid with organic bases: is it possible to predict a salt formation?","CrystEngComm","2010","12","3","925","","10.1039/b908492d","","x-ray","1.54184","CuKα","","","0.036","","","","0.109","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211527","11.328","0.004","12.873","0.004","14.424","0.005","90","","101.925","0.006","90","","2058","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Co N4 O8 -","- C18 H25 Co N4 O8 -","- C72 H100 Co4 N16 O32 -","4","1","","Xu, Yan-Yan; Xing, Yan-Yan; Duan, Xian-Ying; Li, Yi-Zhi; Zhu, Hui-Zhen; Meng, Qing-Jin","Design and constructions of three novel metal‒organic frameworks based on pillared-layer motifs","CrystEngComm","2010","12","2","567","","10.1039/b909053c","","","0.71073","MoKα","","0.0436","0.038","","","0.1124","0.1148","","","","","","1.007","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211528","11.77","0.002","13.743","0.003","12.618","0.002","90","","97.437","0.003","90","","2023.9","0.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H76 Co4 N16 O20 -","- C72 H76 Co4 N16 O20 -","- C72 H76 Co4 N16 O20 -","1","0.25","","Xu, Yan-Yan; Xing, Yan-Yan; Duan, Xian-Ying; Li, Yi-Zhi; Zhu, Hui-Zhen; Meng, Qing-Jin","Design and constructions of three novel metal‒organic frameworks based on pillared-layer motifs","CrystEngComm","2010","12","2","567","","10.1039/b909053c","","","0.71073","MoKα","","0.0788","0.0565","","","0.0985","0.1034","","","","","","1.193","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211529","12.6067","0.001","25.993","0.002","14.199","0.0011","90","","107.713","0.002","90","","4432.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Co2 N8 O11 -","- C36 H40 Co2 N8 O11 -","- C144 H160 Co8 N32 O44 -","4","1","","Xu, Yan-Yan; Xing, Yan-Yan; Duan, Xian-Ying; Li, Yi-Zhi; Zhu, Hui-Zhen; Meng, Qing-Jin","Design and constructions of three novel metal‒organic frameworks based on pillared-layer motifs","CrystEngComm","2010","12","2","567","","10.1039/b909053c","","","0.71073","MoKα","","0.0845","0.0634","","","0.1478","0.1547","","","","","","1.087","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211530","9.3106","0.0019","11.023","0.002","20.395","0.006","90","","107.92","0.03","90","","1991.6","0.9","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Co N4 O4 -","- C22 H17 Co N4 O4 -","- C88 H68 Co4 N16 O16 -","4","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.1924","0.0672","","","0.1081","0.1404","","","","","","0.909","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211531","23.795","0.005","10.089","0.002","17.189","0.003","90","","111.31","0.03","90","","3844.4","1.5","296","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N4 Ni O5 -","- C18 H19 N4 Ni O5 -","- C144 H152 N32 Ni8 O40 -","8","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0749","0.0492","","","0.1214","0.1348","","","","","","1.039","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211532","23.288","0.005","10.373","0.002","17.348","0.004","90","","108.92","0.03","90","","3964.3","1.6","296","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H21 N4 Ni O4 -","- C20 H21 N4 Ni O4 -","- C160 H168 N32 Ni8 O32 -","8","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0949","0.0559","","","0.1305","0.1472","","","","","","1.034","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211533","7.213","0.0014","12.08","0.002","12.795","0.003","73.96","0.03","84.82","0.03","88.36","0.03","1067.1","0.4","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N4 Ni O9 -","- C18 H23 N4 Ni O9 -","- C36 H46 N8 Ni2 O18 -","2","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.077","0.0504","","","0.1006","0.1164","","","","","","1.042","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211534","9.658","0.0019","10.131","0.002","10.721","0.002","84.56","0.03","64.35","0.03","71.02","0.03","892.9","0.4","293","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N4 O5 Zn -","- C18 H17 N4 O5 Zn -","- C36 H34 N8 O10 Zn2 -","2","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0846","0.0521","","","0.1225","0.1353","","","","","","1.066","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211535","8.6752","0.0017","11.569","0.002","11.626","0.002","65.46","0.03","68.83","0.03","79.8","0.03","989.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Cd N4 O6 -","- C18 H19 Cd N4 O6 -","- C36 H38 Cd2 N8 O12 -","2","1","","Sun, Li-Xin; Qi, Yan; Wang, You-Ming; Che, Yun-Xia; Zheng, Ji-Min","A variety of novel complexes constructed from biphenyl-3,3′,4,4′-tetracarboxylate and flexible bis(imidazole) ligands","CrystEngComm","2010","12","5","1540","","10.1039/b909590j","","x-ray","0.71073","MoKα","","0.0414","0.034","","","0.0893","0.1027","","","","","","1.125","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211536","7.153","0.004","7.752","0.004","8.775","0.004","97.048","0.003","112.728","0.004","108.627","0.004","408.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Zn(N4CCOO)(H2O)3]2.2H2O","[Zn(N4CCOO)(H2O)3]2.2H2O","","- C4 H16 N8 O12 Zn2 -","- C4 H16 N8 O12 Zn2 -","- C4 H16 N8 O12 Zn2 -","1","0.5","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0252","0.0224","","","0.0531","0.0548","","","","","","1.08","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211537","9.396","0.003","11.094","0.003","13.567","0.004","83.399","0.009","81.828","0.007","74.782","0.009","1346.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Zn2(N4CCOO)2(2,2'-bpy)2(H2O)2.H2O","Zn2(N4CCOO)2(2,2'-bpy)2(H2O)2.H2O","","- C24 H22 N12 O7 Zn2 -","- C24 H22 N12 O7 Zn2 -","- C48 H44 N24 O14 Zn4 -","2","1","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0503","0.0379","","","0.0828","0.0886","","","","","","1.03","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211538","12.7076","0.0015","12.7076","0.0015","7.7157","0.0017","90","","90","","90","","1246","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","(Zn(N4CCH2COO)(H2O))n","[Zn(N4CCH2COO)(H2O)]n","","- C3 H4 N4 O3 Zn -","- C3 H4 N4 O3 Zn -","- C24 H32 N32 O24 Zn8 -","8","1","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0409","0.0328","","","0.0849","0.0917","","","","","","1.048","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211539","22.118","0.003","44.164","0.007","6.6646","0.0007","90","","90","","90","","6510.1","1.5","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","[Zn3(N4CCH2COO)2CL2(H2O)2(2,2'-bpy)2]n","[Zn3(N4CCH2COO)2CL2(H2O)2(2,2'-bpy)2]n","","- C26 H24 Cl2 N12 O6 Zn3 -","- C26 H24 Cl2 N12 O6 Zn3 -","- C208 H192 Cl16 N96 O48 Zn24 -","8","0.5","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0854","0.0542","","","0.1232","0.1375","","","","","","0.979","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211540","13.515","0.003","6.7465","0.0013","10.667","0.002","90","","91.33","0.03","90","","972.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn2(N4CCH2COO)2(4,4'-bpy)]n","[Zn2(N4CCH2COO)2(4,4'-bpy)]n","","- C16 H12 N10 O4 Zn2 -","- C16 H12 N10 O4 Zn2 -","- C32 H24 N20 O8 Zn4 -","2","0.5","","Wu, Mei-Feng; Zheng, Fa-Kun; Wu, A-Qing; Li, Yan; Wang, Ming-Sheng; Zhou, Wei-Wei; Chen, Feng; Guo, Guo-Cong; Huang, Jin-Shun","Hydrothermal syntheses, crystal structures and luminescent properties of zinc(II) coordination polymers constructed by bifunctional tetrazolate-5-carboxylate ligands","CrystEngComm","2010","12","1","260","","10.1039/b909754f","","","0.71073","MoKα","","0.0528","0.0435","","","0.1026","0.1068","","","","","","1.076","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211541","16.448","0.003","13.055","0.003","15.329","0.003","90","","90","","90","","3291.6","1.2","253.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C16 H20 N7 O2 -","- C16 H20 N7 O2 -","- C128 H160 N56 O16 -","8","1","","Tanaka, Hiroyuki; Shiomi, Daisuke; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji; Sato, Kazunobu; Takui, Takeji","Diaminotriazine-substituted nitronyl nitroxide: a novel building block for organic magnets having multiple hydrogen bonding substituents as structure-determining supramolecular synthons","CrystEngComm","2010","12","2","526","","10.1039/b909757k","","","0.7107","MoKα","","","0.0696","","","","0.2123","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211542","10.3259","0.0001","9.1606","0.0001","11.3351","0.0001","90","","101.97","0.001","90","","1048.89","0.018","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Mn N O7 -","- C8 H9 Mn N O7 -","- C32 H36 Mn4 N4 O28 -","4","1","","Zhan, Cai-Hong; Jiang, Mei-Xiang; Feng, Yun-Long; Cheng, Jian-Wen","An unusual fluorite network constructed by dinuclear manganese and 5-carboxyl-1-carboxymethyl-3-oxidopyridimium","CrystEngComm","2010","12","2","420","","10.1039/b909889e","","","0.71073","MoKα","","0.0266","0.0232","","","0.0587","0.0606","","","","","","1.058","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211543","19.283","0.002","9.7242","0.0013","30.545","0.004","90","","105.048","0.007","90","","5531.1","1.2","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","3189-81-07 minoxidil","3189-81-07 minoxidil : L-tartaric acid","","- C44 H74 N20 O17 -","- C44 H74 N20 O17 -","- C176 H296 N80 O68 -","4","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0523","0.0445","","","0.1195","0.1255","","","","","","1.006","","","","has coordinates,has disorder","188517","2020-10-21","18:00:00",""
"7211544","21.284","0.0008","10.4088","0.0004","13.8485","0.0005","90","","117.311","0.002","90","","2726.02","0.18","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 N10 O8 -","- C22 H38 N10 O8 -","- C88 H152 N40 O32 -","4","0.5","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","1.54178","CuKα","","0.0572","0.0476","","","0.1248","0.1327","","","","","","1.051","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211545","9.3818","0.0004","10.4613","0.0005","14.1476","0.0007","90","","99.41","0.003","90","","1369.84","0.11","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","3189-80-03 minoxidil and succinic acid","","- C22 H40 N10 O8 -","- C22 H40 N10 O8 -","- C44 H80 N20 O16 -","2","0.5","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0584","0.0465","","","0.1236","0.132","","","","","","1.003","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211546","11.678","0.0005","17.9581","0.0008","13.673","0.0006","90","","94.615","0.002","90","","2858.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3189-76-02 minoxidil : adipic acid","","- C24 H40 N10 O6 -","- C24 H40 N10 O6 -","- C96 H160 N40 O24 -","4","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0768","0.05","","","0.1305","0.1459","","","","","","1.047","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211547","17.8421","0.0009","11.7743","0.0006","21.9811","0.0012","90","","102.245","0.002","90","","4512.7","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3189-76-06 minoxidil : 4-hydroxybenzoic acid","","- C41 H61 N15 O11 -","- C41 H61 N15 O11 -","- C164 H244 N60 O44 -","4","0.5","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.056","0.0425","","","0.114","0.1228","","","","","","1.045","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211548","10.2003","0.0005","30.8973","0.0013","10.1214","0.0004","90","","117.917","0.002","90","","2818.7","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3262-11-02 minoxidil : 1-hydroxy-2-naphthoic acid","","- C31 H31 N5 O7 -","- C31 H31 N5 O7 -","- C124 H124 N20 O28 -","4","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0906","0.0627","","","0.1585","0.1693","","","","","","1.076","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211549","9.6564","0.0005","12.466","0.0007","13.986","0.0008","107.291","0.003","96.977","0.003","107.027","0.003","1496.42","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3262-11-02 minoxidil : 1-hydroxy-2-naphthoic acid","","- C29 H39 N10 O5.5 -","- C29 H39 N10 O5.5 -","- C58 H78 N20 O11 -","2","1","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.0956","0.0559","","","0.142","0.1641","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211550","12.0011","0.0007","12.1067","0.0007","12.5719","0.0008","66.822","0.002","88.582","0.002","79.951","0.002","1651.48","0.17","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","3189-80-04 minoxidil : benzoic acid","","- C16 H21 N5 O3 -","- C16 H21 N5 O3 -","- C64 H84 N20 O12 -","4","2","","Schultheiss, Nate; Lorimer, Keith; Wolfe, Skylar; Desper, John","Attempted construction of minoxidil: carboxylic acid cocrystals; 7 salts and 1 cocrystal resulted","CrystEngComm","2010","12","3","742","","10.1039/b910136e","","","0.71073","MoKα","","0.1299","0.067","","","0.1538","0.1839","","","","","","1.019","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211551","18.724","0.004","15.086","0.003","8.6362","0.0017","90","","93.97","0.03","90","","2433.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Eu N3 O12 -","- C22 H22 Eu N3 O12 -","- C88 H88 Eu4 N12 O48 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0461","0.0336","","","0.0908","0.1028","","","","","","1.028","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211552","18.7397","0.0007","15.1331","0.0006","8.6165","0.0003","90","","93.999","0.002","90","","2437.6","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Gd N3 O12 -","- C22 H22 Gd N3 O12 -","- C88 H88 Gd4 N12 O48 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0978","0.049","","","0.0864","0.1073","","","","","","1.079","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211553","19.268","0.004","16.07","0.003","15.592","0.003","90","","100.38","0.03","90","","4748.8","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 N4 O20 Pr2 -","- C46 H40 N4 O20 Pr2 -","- C184 H160 N16 O80 Pr8 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.1012","0.0538","","","0.1215","0.1482","","","","","","1.016","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211554","19.266","0.004","16.039","0.003","15.551","0.003","90","","100.41","0.03","90","","4726.3","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Er2 N4 O20 -","- C46 H40 Er2 N4 O20 -","- C184 H160 Er8 N16 O80 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.1043","0.0596","","","0.1513","0.1786","","","","","","1.054","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211555","12.3342","0.0003","11.3752","0.0003","19.0229","0.0006","90","","103.81","0.002","90","","2591.84","0.13","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C52 H46 N4 O21 Sm2 -","- C52 H46 N4 O21 Sm2 -","- C104 H92 N8 O42 Sm4 -","2","0.5","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0535","0.0332","","","0.0738","0.0815","","","","","","1.026","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211556","10.8836","0.0002","10.9362","0.0002","15.8323","0.0002","90","","117.444","0.001","90","","1672.37","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N O7 Sm -","- C19 H12 N O7 Sm -","- C76 H48 N4 O28 Sm4 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0256","0.0198","","","0.0455","0.0482","","","","","","1.03","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211557","10.8671","0.0003","10.8974","0.0003","15.8338","0.0004","90","","117.385","0.002","90","","1664.96","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 Eu N O7 -","- C19 H12 Eu N O7 -","- C76 H48 Eu4 N4 O28 -","4","1","","Fan, Jun; Wang, Zhi-Hong; Yang, Ming; Yin, Xia; Zhang, Wei-Guang; Huang, Zhuo-Fen; Zeng, Rong-Hua","Controlled synthesis, structures and properties of one-, two-, and three-dimensional lanthanide coordination polymers based on (8-quinolyloxy)acetate","CrystEngComm","2010","12","1","216","","10.1039/b910219a","","","0.71073","MoKα","","0.0268","0.0196","","","0.0555","0.0733","","","","","","1.01","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211560","19.446","0.002","4.2397","0.0005","12.4437","0.0014","90","","107.177","0.002","90","","980.16","0.19","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C2 H3 Cu2 I2 K N4 -","- C2 H3 Cu2 I2 K N4 -","- C8 H12 Cu8 I8 K4 N16 -","4","0.5","","Liu, Biao; Qiu, Yong-Cai; Peng, Guo; Deng, Hong","In situ solvothermal syntheses of a heteronuclear copper(I)-alkaline metallic tetrazole-based coordination polymer","CrystEngComm","2010","12","1","270","","10.1039/b910418f","","","0.71073","MoKα","","0.0301","0.0236","","","0.0519","0.0551","","","","","","1.034","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211561","9.3946","0.0014","13.26","0.002","12.7927","0.0019","90","","92.674","0.002","90","","1591.9","0.4","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H9 Cu3 I K N12 -","- C6 H9 Cu3 I K N12 -","- C24 H36 Cu12 I4 K4 N48 -","4","0.5","","Liu, Biao; Qiu, Yong-Cai; Peng, Guo; Deng, Hong","In situ solvothermal syntheses of a heteronuclear copper(I)-alkaline metallic tetrazole-based coordination polymer","CrystEngComm","2010","12","1","270","","10.1039/b910418f","","","0.71073","MoKα","","0.0408","0.035","","","0.0923","0.0953","","","","","","1.082","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211562","9.5131","0.0013","15.302","0.002","9.8789","0.0013","90","","90","","90","","1438.1","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cu2 I N9 Na -","- C6 H9 Cu2 I N9 Na -","- C24 H36 Cu8 I4 N36 Na4 -","4","0.5","","Liu, Biao; Qiu, Yong-Cai; Peng, Guo; Deng, Hong","In situ solvothermal syntheses of a heteronuclear copper(I)-alkaline metallic tetrazole-based coordination polymer","CrystEngComm","2010","12","1","270","","10.1039/b910418f","","","0.71073","MoKα","","0.0424","0.0315","","","0.071","0.0757","","","","","","1.035","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211563","5.035","0.003","17.205","0.009","7.734","0.004","90","","93.23","0.05","90","","668.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-hydroxybenzohydrazide","4-hydroxybenzohydrazide","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","","0.71073","MoKα","","0.0686","0.0405","","","0.0942","0.1052","","","","","","1.044","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211564","21.648","0.007","3.594","0.003","9.704","0.003","90","","90","","90","","755","0.7","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-nitrobenzohydrazide","4-nitrobenzohydrazide","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","x-ray","0.71069","MoKα","","0.0634","0.0393","","","0.0788","0.0866","","","","","","1.027","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211565","15.93","0.01","3.816","0.003","12.689","0.009","90","","97.11","0.07","90","","765.4","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyanobenzohydrazide","4-cyanobenzohydrazide","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","x-ray","0.71069","MoKα","","0.0967","0.0459","","","0.0911","0.1059","","","","","","1.003","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211566","5.416","0.002","13.971","0.004","9.958","0.002","90","","103.63","0.02","90","","732.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminobenzohydrazide","4-aminobenzohydrazide","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","1","","Centore, Roberto; Carella, Antonio; Tuzi, Angela; Capobianco, Amedeo; Peluso, Andrea","Competitive H-bonding synthons in organic hydrazides","CrystEngComm","2010","12","4","1186","","10.1039/b910433j","","x-ray","0.71073","MoKα","","0.0788","0.042","","","0.0892","0.1025","","","","","","1.042","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211567","31.8004","0.0006","31.8004","0.0006","36.9032","0.0016","90","","90","","90","","37318.9","1.9","100","2","100","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C70 H140 Mn Mo6 N5 O28 -","- C66.6 H123.75 Mn Mo6 N5 O28 -","- C1065.6 H1980 Mn16 Mo96 N80 O448 -","16","1","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0738","0.057","","","0.1384","0.1524","","","","","","1.033","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211568","24.516","0.003","15.4509","0.0017","24.233","0.003","90","","94.577","0.005","90","","9150","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H144 Mn Mo6 N5 O29 -","- C72.4 H135 Mn Mo6 N5 O28.5 -","- C289.6 H540 Mn4 Mo24 N20 O114 -","4","1","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0528","0.0359","","","0.0775","0.086","","","","","","1.043","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211569","37.5576","0.0015","13.7547","0.0006","25.1345","0.001","90","","128.073","0.002","90","","10221.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H150 Mn Mo6 N6 O27 -","- C81.6 H118 Mn Mo6 N7 O26.8 -","- C326.4 H472 Mn4 Mo24 N28 O107.2 -","4","0.5","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0787","0.0495","","","0.1444","0.1635","","","","","","1.064","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211570","14.897","0.0004","13.9137","0.0004","24.7439","0.0007","90","","97.349","0.001","90","","5086.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H140 Mn Mo6 N5 O24 -","- C80.2 H102.8 Mn Mo6 N5 O24 -","- C160.4 H205.6 Mn2 Mo12 N10 O48 -","2","0.5","","Song, Yu-Fei; Long, De-Liang; Cronin, Leroy","Hybrid polyoxometalate clusters with appended aromatic platforms","CrystEngComm","2010","12","1","109","","10.1039/b910434h","","","0.71073","MoKα","","0.0908","0.0672","","","0.1891","0.2066","","","","","","1.049","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211571","12.15","0.008","14.363","0.007","16.451","0.011","99.374","0.015","106.419","0.012","111.167","0.014","2453","3","297","2","297","2","","","","","","","","3","P -1","-P 1","2","Hexa-O-toluoyl-myo-inositol","Hexa-<i>O</i>-toluoyl-<i>myo</i>-inositol","","- C54 H48 O12 -","- C54 H48 O12 -","- C108 H96 O24 -","2","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal thermal phase transition amongst dimorphs of hexa-O-p-toluoyl-myo-inositol conserving two-dimensional isostructurality","CrystEngComm","2010","12","2","478","","10.1039/b910546h","","","0.71073","MoKα","","0.1427","0.0793","","","0.1982","0.2366","","","","","","1.024","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211572","12.13","0.005","30.223","0.011","14.383","0.005","90","","110.068","0.007","90","","4953","3","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Hexa-O-toluoyl-myo-inositol","Hexa-<i>O</i>-toluoyl-<i>myo</i>-inositol","","- C54 H48 O12 -","- C54 H48 O12 -","- C216 H192 O48 -","4","1","","Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Crystal-to-crystal thermal phase transition amongst dimorphs of hexa-O-p-toluoyl-myo-inositol conserving two-dimensional isostructurality","CrystEngComm","2010","12","2","478","","10.1039/b910546h","","","0.71073","MoKα","","0.1838","0.0628","","","0.1334","0.1847","","","","","","0.964","","","","has coordinates","180446","2020-10-21","18:00:00",""
"7211573","11.4886","0.0019","19.653","0.004","29.851","0.005","90","","99.17","0.003","90","","6654","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H56 N4 O26 S5 -","- C47 H43 N4 O26 S5 -","- C188 H172 N16 O104 S20 -","4","1","","Su, Xin; Guo, Dong-Sheng; Liu, Yu","Solid-state supramolecular architectures by p-sulfonatocalix[5]arene with bispyridinium derivatives: factors of spacers and terminal groups","CrystEngComm","2010","12","3","947","","10.1039/b910623e","","","0.7107","MoKα","","0.1207","0.1002","","","0.271","0.2875","","","","","","1.022","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211574","31.666","0.005","19.154","0.003","22.704","0.004","90","","111.471","0.003","90","","12815","4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H88 N2 O46 S10 -","- C84 H68 N2 O46 S10 -","- C336 H272 N8 O184 S40 -","4","0.5","","Su, Xin; Guo, Dong-Sheng; Liu, Yu","Solid-state supramolecular architectures by p-sulfonatocalix[5]arene with bispyridinium derivatives: factors of spacers and terminal groups","CrystEngComm","2010","12","3","947","","10.1039/b910623e","","","0.71073","MoKα","","0.1942","0.081","","","0.2109","0.2588","","","","","","0.854","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211575","31.878","0.004","19.919","0.002","11.1685","0.0013","90","","96.582","0.002","90","","7045","1.4","294","2","294","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C42 H44 N O23 S5 -","- C42 H34 N O23 S5 -","- C168 H136 N4 O92 S20 -","4","0.5","","Su, Xin; Guo, Dong-Sheng; Liu, Yu","Solid-state supramolecular architectures by p-sulfonatocalix[5]arene with bispyridinium derivatives: factors of spacers and terminal groups","CrystEngComm","2010","12","3","947","","10.1039/b910623e","","","0.71073","MoKα","","0.2369","0.1508","","","0.362","0.4337","","","","","","1.347","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211576","9.5731","0.0009","9.5962","0.001","16.5163","0.0016","90","","95.07","0.002","90","","1511.3","0.3","90","2","90","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C30 H20 Cu2 N4 O11 P2 V2 -","- C30 H20 Cu2 N4 O11 P2 V2 -","- C60 H40 Cu4 N8 O22 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0977","0.0968","","","0.1843","0.1847","","","","","","1.41","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211577","9.4396","0.0008","15.8795","0.0013","13.8189","0.0012","90","","101.147","0.002","90","","2032.3","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cu N2 O8 P2 V -","- C18 H13 Cu N2 O8 P2 V -","- C72 H52 Cu4 N8 O32 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0454","0.0447","","","0.0943","0.0947","","","","","","1.291","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211578","18.026","0.0015","17.9783","0.0015","11.9993","0.001","90","","114.139","0.001","90","","3548.7","0.5","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 Cu2 N6 O11 P2 V2 -","- C36 H26 Cu2 N6 O11 P2 V2 -","- C144 H104 Cu8 N24 O44 P8 V8 -","4","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0726","0.0703","","","0.1428","0.1438","","","","","","1.358","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211579","10.6351","0.0008","14.8733","0.0011","18.7757","0.0013","90","","93.831","0.001","90","","2963.3","0.4","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu2 F N6 O10 P2 V -","- C26 H26 Cu2 F N6 O10 P2 V -","- C104 H104 Cu8 F4 N24 O40 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0719","0.0697","","","0.1335","0.1344","","","","","","1.336","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211580","19.628","0.002","8.5882","0.0009","19.245","0.002","90","","112.378","0.002","90","","2999.8","0.5","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C104 H88 Cu8 F8 N24 O40 P8 V8 -","4","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0572","0.0552","","","0.1192","0.1203","","","","","","1.308","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211581","10.9327","0.0007","16.1475","0.001","11.8455","0.0007","90","","104.31","0.001","90","","2026.3","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cu N2 O9 P2 V -","- C18 H15 Cu N2 O9 P2 V -","- C72 H60 Cu4 N8 O36 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0454","0.0446","","","0.0906","0.0909","","","","","","1.268","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211582","8.2372","0.0006","16.1717","0.0011","15.1183","0.001","90","","101.714","0.001","90","","1972","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cu N2 O8 P2 V -","- C18 H13 Cu N2 O8 P2 V -","- C72 H52 Cu4 N8 O32 P8 V4 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0426","0.042","","","0.0937","0.094","","","","","","1.272","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211583","11.2896","0.0005","16.8485","0.0008","20.5594","0.001","90","","93.909","0.001","90","","3901.6","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cu N2 O8 P2 V -","- C18 H13 Cu N2 O8 P2 V -","- C144 H104 Cu8 N16 O64 P16 V8 -","8","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0743","0.0737","","","0.1446","0.1449","","","","","","1.381","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211584","9.6032","0.0009","6.1831","0.0006","19.7804","0.0018","90","","96.224","0.002","90","","1167.59","0.19","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cu N2 O14 P2 V2 -","- C18 H14 Cu N2 O14 P2 V2 -","- C36 H28 Cu2 N4 O28 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0324","0.0304","","","0.0791","0.0809","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211585","10.402","0.0009","8.8148","0.0007","15.906","0.0013","90","","100.565","0.002","90","","1433.7","0.2","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu2 F2 N4 O10 P2 V2 -","- C26 H20 Cu2 F2 N4 O10 P2 V2 -","- C52 H40 Cu4 F4 N8 O20 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.039","0.0382","","","0.0825","0.0828","","","","","","1.233","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211586","10.3398","0.0007","25.5265","0.0016","10.0075","0.0006","90","","118.77","0.001","90","","2315.3","0.3","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Cu2 F N6 O18 P4 V3 -","- C42 H32 Cu2 F N6 O18 P4 V3 -","- C84 H64 Cu4 F2 N12 O36 P8 V6 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0883","0.0863","","","0.1711","0.1719","","","","","","1.385","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211587","10.893","0.002","8.7599","0.0018","16.069","0.003","90","","90.38","0.03","90","","1533.3","0.5","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C26 H22 Cu2 F2 N6 O10 P2 V2 -","- C52 H44 Cu4 F4 N12 O20 P4 V4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0523","0.0396","","","0.1008","0.1065","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211588","10.2667","0.0011","10.384","0.0011","10.6223","0.0011","99.967","0.002","92.781","0.002","101.734","0.002","1087.9","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H17 Cu N2 O12.5 P3 V -","- C16 H14 Cu N2 O12.5 P3 V -","- C32 H28 Cu2 N4 O25 P6 V2 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0703","0.0656","","","0.135","0.1374","","","","","","1.251","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211589","8.8764","0.0006","17.0724","0.0011","43.44","0.003","90","","90","","90","","6583","0.8","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Cu2 N4 O16 P3 V3 -","- C26 H19 Cu2 N4 O16 P3 V3 -","- C208 H152 Cu16 N32 O128 P24 V24 -","8","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0732","0.0622","","","0.1259","0.1304","","","","","","1.276","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211590","16.244","0.002","7.2007","0.0009","22.401","0.003","90","","104.056","0.002","90","","2541.8","0.6","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cu N2 O16 P3 V3 -","- C18 H11 Cu N2 O16 P3 V3 -","- C72 H44 Cu4 N8 O64 P12 V12 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0799","0.0781","","","0.1488","0.1496","","","","","","1.345","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211591","6.4769","0.0007","8.4915","0.0009","18.798","0.002","92.437","0.002","98.233","0.002","92.697","0.002","1020.81","0.19","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cu N2 O11 P2 -","- C18 H14 Cu N2 O11 P2 -","- C36 H28 Cu2 N4 O22 P4 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0442","0.0415","","","0.1055","0.1071","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211592","10.3525","0.0005","6.4579","0.0003","15.6396","0.0009","90","","108.085","0.001","90","","993.94","0.09","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cu N2 O10 P2 -","- C18 H16 Cu N2 O10 P2 -","- C36 H32 Cu2 N4 O20 P4 -","2","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0536","0.053","","","0.1125","0.1128","","","","","","1.339","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211593","10.114","0.002","10.753","0.002","11.13","0.002","114.17","0.03","105.57","0.03","104.01","0.03","974.8","0.6","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cu2 N4 O20 P6 -","- C32 H34 Cu2 N4 O20 P6 -","- C32 H34 Cu2 N4 O20 P6 -","1","0.5","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0391","0.0369","","","0.0878","0.0891","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211594","9.8914","0.0009","10.013","0.0009","11.5152","0.001","104.248","0.001","98.961","0.002","115.909","0.001","947.88","0.15","98","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cu N2 O10 P3 -","- C16 H15 Cu N2 O10 P3 -","- C32 H30 Cu2 N4 O20 P6 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0361","0.0349","","","0.0876","0.0883","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211595","7.3298","0.0007","16.0346","0.0014","18.8682","0.0017","90","","98.239","0.002","90","","2194.7","0.3","98","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cu N2 O11 P3 -","- C18 H15 Cu N2 O11 P3 -","- C72 H60 Cu4 N8 O44 P12 -","4","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0954","0.0943","","","0.1917","0.1922","","","","","","1.405","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211596","9.9542","0.0014","10.0152","0.0014","12.0621","0.0016","100.631","0.002","106.609","0.002","115.494","0.002","972.2","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cu N3 O10 P3 -","- C16 H18 Cu N3 O10 P3 -","- C32 H36 Cu2 N6 O20 P6 -","2","1","","DeBurgomaster, Paul; Ouellette, Wayne; Liu, Hongxue; O'Connor, Charles J.; Zubieta, Jon","Hydrothermal chemistry of vanadium oxides with aromatic di- and tri-phosphonates in the presence of secondary metal copper(II) cationic complex subunits","CrystEngComm","2010","12","2","446","","10.1039/b910641c","","x-ray","0.71073","MoKα","","0.0598","0.0523","","","0.1164","0.1196","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211597","5.721","0.003","11.617","0.005","24.595","0.011","93.91","0.008","90.624","0.008","103.852","0.008","1582.7","1.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H18 N O2 -","- C18.644 H15.5 N O2 -","- C74.576 H62 N4 O8 -","4","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.1779","0.106","","","0.2748","0.3283","","","","","","0.906","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211598","5.702","0.003","11.6","0.007","24.523","0.014","93.589","0.013","90.734","0.012","103.756","0.011","1571.8","1.5","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H18 N O2 -","- C17.875 H16.125 N O2 -","- C71.5 H64.5 N4 O8 -","4","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.2764","0.2123","","","0.4897","0.5365","","","","","","1.536","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211599","5.725","0.002","48.556","0.019","11.522","0.004","90","","103.316","0.008","90","","3117","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N O2 -","- C17.9875 H21.9625 N O2 -","- C143.9 H175.7 N8 O16 -","8","4","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.2585","0.1314","","","0.2787","0.3532","","","","","","0.972","","","","has coordinates,has disorder","180446","2020-10-21","18:00:00",""
"7211600","5.7654","0.0004","48.7","0.003","11.5146","0.0007","90","","103.684","0.001","90","","3141.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C144 H176 N8 O16 -","4","2","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.0418","0.0376","","","0.1083","0.1196","","","","","","0.878","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211601","5.7162","0.0012","11.563","0.003","24.621","0.005","94.133","0.005","90.21","0.003","104.275","0.003","1572.6","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C36 H44 N2 O4 -","- C36 H44 N2 O4 -","- C72 H88 N4 O8 -","2","2","","Chen, Shuang; Xi, Hanmi; Henry, Rodger F.; Marsden, Ian; Zhang, Geoff G. Z.","Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)","CrystEngComm","2010","12","5","1485","","10.1039/b910662f","","","0.71073","MoKα","","0.0896","0.0472","","","0.1236","0.1673","","","","","","0.869","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211602","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Dy4 N8 O26 S2 -","- C36 H20 Dy4 N8 O26 S2 -","- C36 H20 Dy4 N8 O26 S2 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0474","0.0443","","","0.1069","0.1082","","","","","","1.168","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211603","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Er4 N8 O26 S2 -","- C36 H20 Er4 N8 O26 S2 -","- C36 H20 Er4 N8 O26 S2 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0554","0.051","","","0.1349","0.1368","","","","","","1.178","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211604","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Eu4 N8 O26 S2 -","- C36 H20 Eu4 N8 O26 S2 -","- C36 H20 Eu4 N8 O26 S2 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.054","0.0529","","","0.1209","0.1214","","","","","","1.182","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211605","9.4361","0.0015","9.8459","0.0015","14.246","0.002","91.443","0.002","107.665","0.002","118.251","0.002","1088.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Gd2 N4 O15 S -","- C18 H14 Gd2 N4 O15 S -","- C36 H28 Gd4 N8 O30 S2 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.034","0.0304","","","0.0748","0.0774","","","","","","1.082","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211606","9.655","0.0017","10.0259","0.0018","14.313","0.003","91.012","0.002","107.625","0.002","118.626","0.002","1136.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 La2 N4 O15 S -","- C18 H14 La2 N4 O15 S -","- C36 H28 La4 N8 O30 S2 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0592","0.0537","","","0.1336","0.1355","","","","","","1.232","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211607","9.5697","0.0013","9.9532","0.0013","14.288","0.002","91.2","0.002","107.652","0.002","118.473","0.001","1117.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 N4 O15 Pr2 S -","- C18 H14 N4 O15 Pr2 S -","- C36 H28 N8 O30 Pr4 S2 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0498","0.0425","","","0.099","0.1028","","","","","","1.045","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211608","9.5378","0.0008","6.6828","0.0005","16.131","0.0013","90","","96.749","0.001","90","","1021.05","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N8 O26 S2 Tb4 -","- C36 H20 N8 O26 S2 Tb4 -","- C36 H20 N8 O26 S2 Tb4 -","1","0.25","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0558","0.0535","","","0.1222","0.1234","","","","","","1.142","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211609","9.473","0.0011","9.8689","0.0011","14.2483","0.0016","91.425","0.001","107.677","0.001","118.257","0.001","1095.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 N4 O15 S Sm2 -","- C18 H14 N4 O15 S Sm2 -","- C36 H28 N8 O30 S2 Sm4 -","2","1","","Wang, Zhao-Xi; Wu, Qiong-Fang; Liu, Hong-Jiang; Shao, Min; Xiao, Hong-Ping; Li, Ming-Xing","2D and 3D lanthanide coordination polymers constructed from benzimidazole-5,6-dicarboxylic acid and sulfate bridged secondary building units","CrystEngComm","2010","12","4","1139","","10.1039/b910701k","","","0.71073","MoKα","","0.0287","0.0272","","","0.073","0.074","","","","","","1.149","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211610","13.9901","0.0007","13.9901","0.0007","18.2013","0.0018","90","","90","","90","","3562.4","0.4","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H32 La2 O28 Pb -","- C16 H16 La2 O28 Pb -","- C64 H64 La8 O112 Pb4 -","4","0.25","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0261","0.024","","","0.0755","0.0759","","","","","","1.179","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211611","15.3476","0.0008","15.3476","0.0008","14.9728","0.0015","90","","90","","120","","3054.3","0.4","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C4 H8 La0.33 Ni0.5 O7 -","- C4 H6 La0.333333 Ni0.5 O7 -","- C48 H72 La4 Ni6 O84 -","12","0.5","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0394","0.0288","","","0.0996","0.1096","","","","","","1.142","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211612","15.3708","0.001","15.3708","0.001","15.118","0.002","90","","90","","120","","3093.3","0.5","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H24 La2 O36 Zn3 -","- C24 H24 La2 O36 Zn3 -","- C48 H48 La4 O72 Zn6 -","2","0.0833333","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0312","0.0243","","","0.0893","0.0918","","","","","","1.135","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211613","15.371","0.003","15.371","0.003","15.127","0.003","90","","90","","120","","3095.2","1.1","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C4 H7.5 Co0.5 La0.33 O6.75 -","- C4 H6 Co0.5 La0.333333 O6.75 -","- C48 H72 Co6 La4 O81 -","12","0.5","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0357","0.0302","","","0.1181","0.1263","","","","","","1.101","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211614","25.9723","0.0006","25.9723","0.0006","25.9723","0.0006","90","","90","","90","","17519.9","0.7","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C48 H72 La4 Mn6 O78 -","- C48 H72 La4 Mn6 O78 -","- C384 H576 La32 Mn48 O624 -","8","0.0416667","","Wang, Ying; Zhang, Zhen-Jie; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","3D heterometal‒organic frameworks based on oxydiacetic acid","CrystEngComm","2010","12","4","1086","","10.1039/b910838f","","","0.71073","MoKα","","0.0892","0.0409","","","0.1279","0.1881","","","","","","1.026","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211615","24.328","0.005","31.067","0.006","16.658","0.004","90","","90","","90","","12590","5","298","2","298","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C50 H60 Ag2.5 Cl2.5 N10 O15 Si2.5 -","- C50 H50 Ag2.5 Cl2.5 N10 O10.25 Si2.5 -","- C400 H400 Ag20 Cl20 N80 O82 Si20 -","8","1","","Wang, Dengxu; He, Haiyan; Chen, Xiaohui; Feng, Shengyu; Niu, Yuzhong; Sun, Daofeng","A 3D porous metal‒organic framework constructed of 1D zigzag and helical chains exhibiting selective anion exchange","CrystEngComm","2010","12","4","1041","","10.1039/b910988a","","","0.71073","MoKα","","0.1376","0.0768","","","0.2095","0.2443","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211616","5.772","0.002","19.128","0.007","17.295","0.006","90","","90","","90","","1909.5","1.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H21.52 N4 O1.52 Si -","- C20 H21 N4 O1.51 Si -","- C80 H84 N16 O6.04 Si4 -","4","0.5","","Wang, Dengxu; He, Haiyan; Chen, Xiaohui; Feng, Shengyu; Niu, Yuzhong; Sun, Daofeng","A 3D porous metal‒organic framework constructed of 1D zigzag and helical chains exhibiting selective anion exchange","CrystEngComm","2010","12","4","1041","","10.1039/b910988a","","","0.71073","MoKα","","0.1319","0.0694","","","0.1862","0.2222","","","","","","1.018","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211617","17.783","0.005","7.249","0.005","8.832","0.005","90","0.005","105.275","0.005","90","0.005","1098.3","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Co N2 O6 P2 -","- C4 H14 Co N2 O6 P2 -","- C16 H56 Co4 N8 O24 P8 -","4","0.5","","Liu, Xianchun; Xing, Yan; Liu, Xizheng","Solvothermal synthesis and magnetic properties of cobalt(II) phosphite structures of varying dimensionality","CrystEngComm","2010","12","2","383","","10.1039/b911000c","","","0.71069","MoKα","","0.0293","0.025","","","0.0621","0.0636","","","","","","1.154","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211618","7.718","0.005","8.84","0.005","12.151","0.005","76.056","0.005","77.939","0.005","68.704","0.005","742.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H17 Co2 N2 O9 P3 -","- C4 H17 Co2 N2 O9 P3 -","- C8 H34 Co4 N4 O18 P6 -","2","1","","Liu, Xianchun; Xing, Yan; Liu, Xizheng","Solvothermal synthesis and magnetic properties of cobalt(II) phosphite structures of varying dimensionality","CrystEngComm","2010","12","2","383","","10.1039/b911000c","","","0.71069","MoKα","","0.032","0.0253","","","0.0636","0.0666","","","","","","1.039","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211619","15.882","0.005","8.462","0.005","16.096","0.005","90","0.005","112.563","0.005","90","0.005","1997.6","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 Co3 N2 O12 P4 -","- C4 H20 Co3 N2 O12 P4 -","- C16 H80 Co12 N8 O48 P16 -","4","0.5","","Liu, Xianchun; Xing, Yan; Liu, Xizheng","Solvothermal synthesis and magnetic properties of cobalt(II) phosphite structures of varying dimensionality","CrystEngComm","2010","12","2","383","","10.1039/b911000c","","","0.71069","MoKα","","0.0568","0.0332","","","0.0999","0.1203","","","","","","0.805","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211620","13.835","0.004","19.67","0.005","16.292","0.004","90","","99.14","0.02","90","","4377","2","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C45 H62 O11 -","- C45 H62 O11 -","- C180 H248 O44 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.071","0.071","","0.107","0.107","","","","0.985","0.985","0.985","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211621","16.099","0.005","18.769","0.007","16.86","0.006","90","","91.67","0.03","90","","5092","3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C51 H72 O12 -","- C51.003 H72.009 O12 -","- C204.012 H288.036 O48 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.095","0.095","","0.148","0.148","","","","0.865","0.865","0.865","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211622","12.599","0.002","19.118","0.003","22.586","0.004","114.97","0.02","90.99","0.02","96.25","0.02","4890.3","1.6","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H69 O8.5 -","- C50 H68 O8.5 -","- C200 H272 O34 -","4","2","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.086","0.086","","0.124","0.124","","","","0.945","0.945","0.945","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211623","20.451","0.005","12.501","0.003","19.027","0.004","90","","125.3","0.02","90","","3970","1.9","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C42 H52 O10 -","- C42 H52 O10 -","- C168 H208 O40 -","4","1","","Gaeta, Carmine; Troisi, Francesco; Gavuzzo, Enrico; Camalli, Mercedes; Campi, Gaetano; Neri, Placido","Solid-state assembly of oxyfunctionalized calix[4]arene derivatives","CrystEngComm","2010","12","3","880","","10.1039/b911108e","","","1.54178","CuKα","","0.087","0.087","","0.127","0.127","","","","0.882","0.882","0.882","","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211624","12.723","0.003","13.512","0.003","19.649","0.004","90","","103.09","0.03","90","","3290.1","1.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(iii)","Chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(III)","","- C36 H44 Cl In N4 -","- C36 H44 Cl In N4 -","- C144 H176 Cl4 In4 N16 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0449","0.0317","","","0.0735","0.0789","","","","","","1.035","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211625","13.6573","0.0008","19.1375","0.0011","15.274","0.0009","90","","98.959","0.001","90","","3943.4","0.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Chloro(2,3,7,8,12,13,17,18-octaethylporphyrinato)indium(iii)","Chloro(2,3,7,8,12,13,17,18-octaethylporphyrinato)indium(III)","","- C45 H53 Cl In N4 -","- C45 H53 Cl In N4 -","- C180 H212 Cl4 In4 N16 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.1048","0.0491","","","0.0976","0.1196","","","","","","1.006","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211626","13.4911","0.0014","19.0068","0.0019","15.2475","0.0015","90","","98.654","0.002","90","","3865.3","0.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(iii) 1.5 pyridine solvate","chloro-2,3,7,8,12,13,17,18-octaethylporphyrinato-indium(III) 1.5 pyridine solvate","","- C43.5 H51.5 Cl In N5.5 -","- C44 H52 Cl In N5 -","- C176 H208 Cl4 In4 N20 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.1229","0.065","","","0.1573","0.2003","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211627","13.6661","0.0017","19.255","0.002","15.2555","0.0019","90","","98.266","0.002","90","","3972.6","0.8","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","In(OEP)Cl$.!0.5dioxane$.!benzene","","","- C44 H54 Cl In N4 O -","- C44 H54 Cl In N4 O -","- C176 H216 Cl4 In4 N16 O4 -","4","1","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0876","0.0571","","","0.138","0.1504","","","","","","0.959","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211628","19.8189","0.0007","17.9548","0.0006","14.098","0.0005","90","","124.679","0.004","90","","4125.5","0.3","90","2","90","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","ClInOEP.1.5chlorobenzene","","","- C45 H51.5 Cl2.5 In N4 -","- C44.62 H51.5 Cl2.5 In N4 -","- C178.48 H206 Cl10 In4 N16 -","4","0.5","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0228","0.0219","","","0.0564","0.0569","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211629","19.251","0.002","20.681","0.002","16.032","0.0017","90","","90","","90","","6382.8","1.1","90","2","90","2","","","","","","","","5","C m c m","-C 2c 2","63","(In(OEP)Cl)C60.benzene","","","- C102 H50 Cl In N4 -","- C102 H50 Cl In N4 -","- C408 H200 Cl4 In4 N16 -","4","0.25","","Garcia, Thelma Y.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.","Crystallization of chloroindium(iii)octaethylporphyrin into a clamshell motif to engulf guest molecules","CrystEngComm","2010","12","3","866","","10.1039/b911180h","","","0.71073","MoKα","","0.0995","0.0726","","","0.2029","0.2115","","","","","","1.16","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211630","11.5018","0.0006","22.2844","0.0012","14.1872","0.0008","90","","102.802","0.002","90","","3545.9","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H80 Co3 N12 O34 -","- C60 H80 Co3 N12 O34 -","- C120 H160 Co6 N24 O68 -","2","0.5","","Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu","Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups","CrystEngComm","2010","12","1","70","","10.1039/b911380k","","","0.71073","MoKα","","0.1011","0.0648","","","0.1431","0.1517","","","","","","0.996","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211631","33.993","0.004","13.6318","0.0014","15.4608","0.0016","90","","90","","90","","7164.3","1.3","291","2","291","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C66 H68 Co3 N12 O22 -","- C66 H68 Co3 N12 O22 -","- C264 H272 Co12 N48 O88 -","4","0.5","","Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu","Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups","CrystEngComm","2010","12","1","70","","10.1039/b911380k","","","0.71073","MoKα","","0.0699","0.056","","","0.1134","0.1159","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211632","36.481","0.002","49.104","0.003","11.8446","0.0007","90","","90","","90","","21218","2","291","","291","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C41 H48 Co2 N8 O16 -","- C41 H48 Co2 N8 O16 -","- C656 H768 Co32 N128 O256 -","16","1","","Min, Tianyin; Zheng, Bo; Bai, Junfeng; Sun, Ran; Li, Yizhi; Zhang, Zhuxiu","Topology diversity and reversible crystal-to-amorphous transformation properties of 3D cobalt coordination polymers from a series of 1D rodlike dipyridyl-containing building blocks and a flexible tripodal acid with additional amide groups","CrystEngComm","2010","12","1","70","","10.1039/b911380k","","","0.71073","MoKα","","0.0569","0.0488","","","0.1098","0.1118","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211633","5.0333","0.0008","13.995","0.002","10.7354","0.0017","90","","97.733","0.002","90","","749.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu N2 O4 -","- C16 H16 Cu N2 O4 -","- C32 H32 Cu2 N4 O8 -","2","0.5","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0445","0.038","","","0.1013","0.1064","","","","","","1.037","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211634","7.3163","0.0007","7.6838","0.0007","17.9429","0.0016","83.251","0.002","82.728","0.002","81.003","0.002","983.34","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cu3 N2 O12 -","- C16 H16 Cu3 N2 O12 -","- C32 H32 Cu6 N4 O24 -","2","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0416","0.0371","","","0.0954","0.0987","","","","","","1.027","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211635","7.6284","0.0011","11.058","0.002","11.284","0.005","102.71","0.03","105.21","0.02","106.87","0.016","832.6","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cu2 N2 O10 -","- C16 H14 Cu2 N2 O10 -","- C32 H28 Cu4 N4 O20 -","2","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.1001","0.0563","","","0.1593","0.181","","","","","","1.079","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211636","7.0602","0.0007","9.5054","0.001","10.8957","0.0011","101.345","0.002","107.878","0.002","111.34","0.002","607.69","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cu4 N2 O22 -","- C16 H14 Cu4 N2 O22 -","- C16 H14 Cu4 N2 O22 -","1","0.5","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0323","0.0304","","","0.0827","0.0843","","","","","","1.089","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211637","8.909","0.002","12.33","0.003","17.476","0.004","90","","90","","90","","1919.7","0.8","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C8 H3 Cu2 N O7 -","- C8 H3 Cu2 N O7 -","- C64 H24 Cu16 N8 O56 -","8","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","0.71073","MoKα","","0.0755","0.0581","","","0.1274","0.1351","","","","","","1.076","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211638","4.8656","0.0005","9.764","0.0012","11.1677","0.0014","73.703","0.011","80.971","0.01","80.399","0.009","498.69","0.11","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N2 O8 -","- C8 H8 N2 O8 -","- C16 H16 N4 O16 -","2","1","","Li, Cui-Jin; Lin, Zhuojia; Yun, Lei; Xie, Yu-Ling; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Hydrothermal in situ ligand reaction: copper(II)-mediated stepwise oxidation of 2,3,5- and 2,4,6-trimethylpyridine to pyridinecarboxylates","CrystEngComm","2010","12","2","425","","10.1039/b911463g","","","1.54178","CuKα","","0.1089","0.088","","","0.2504","0.2658","","","","","","1.075","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211639","16.885","0.004","11.989","0.004","8.207","0.004","90","","95.51","0.03","90","","1653.7","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C56 H24 F16 N16 S16 -","8","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0961","0.0589","","","0.1331","0.162","","","","","","1.129","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211640","30.168","0.001","30.168","0.001","7.1749","0.0002","90","","90","","90","","6529.9","0.4","180","2","180","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","2,6-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C224 H96 F64 N64 S64 -","32","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0487","0.0337","","","0.0785","0.0847","","","","","","1.028","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211641","7.543","0.002","11.193","0.002","18.688","0.004","90","","93.87","0.03","90","","1574.2","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,4-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C56 H24 F16 N16 S16 -","8","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0765","0.0464","","","0.1097","0.128","","","","","","1.056","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211642","7.058","0.003","15.045","0.005","16.258","0.006","66.79","0.03","84.17","0.03","80.4","0.03","1563.2","1.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","3,5-difluoro-1,2,3,5-dithiadiazolyl","","- C7 H3 F2 N2 S2 -","- C7 H3 F2 N2 S2 -","- C56 H24 F16 N16 S16 -","8","4","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.1235","0.0727","","","0.1691","0.2024","","","","","","1.045","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211643","30.483","0.002","30.483","0.002","7.117","0.001","90","","90","","90","","6613.2","1.1","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","2,3,6-trifluoro-1,2,3,5-dithiadiazolyl","","- C7 H2 F3 N2 S2 -","- C7 H2 F3 N2 S2 -","- C224 H64 F96 N64 S64 -","32","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.035","0.0274","","","0.0671","0.072","","","","","","1.133","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211644","7.1195","0.0001","27.2091","0.0003","25.1504","0.0004","90","","92.614","0.001","90","","4866.94","0.12","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6-trifluoro-1,2,3,5-dithiadiazolyl","","- C7 H2 F3 N2 S2 -","- C7 H2 F3 N2 S2 -","- C168 H48 F72 N48 S48 -","24","6","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0911","0.0488","","","0.097","0.1107","","","","","","1.018","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211645","5.9462","0.0001","10.2733","0.0002","14.3236","0.0002","76.255","0.001","79.899","0.001","78.649","0.001","825.67","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3,4,5-trifluoro-1,2,3,5-dithiadiazolyl","","- C7 H2 F3 N2 S2 -","- C7 H2 F3 N2 S2 -","- C28 H8 F12 N8 S8 -","4","2","","Clarke, Caroline S.; Haynes, Delia A.; Smith, J. Nicholas B.; Batsanov, Andrei S.; Howard, Judith A. K.; Pascu, Sofia I.; Rawson, Jeremy M.","The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2010","12","1","172","","10.1039/b911636b","","","0.71073","MoKα","","0.0377","0.0321","","","0.0836","0.0889","","","","","","1.093","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211646","9.738","0.0009","10.415","0.001","10.66","0.001","107.409","0.001","90.801","0.001","115.658","0.001","916.86","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 Cu Mo8 N6 O28 -","- C18 H20 Cu Mo8 N6 O28 -","- C18 H20 Cu Mo8 N6 O28 -","1","0.5","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0465","0.0402","","","0.1092","0.1139","","","","","","1.06","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211647","19.061","0.0007","10.431","0.0007","18.396","0.0014","90","","93.148","0.001","90","","3652.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cu Mo8 N8 O28 -","- C16 H22 Cu Mo8 N8 O28 -","- C64 H88 Cu4 Mo32 N32 O112 -","4","0.5","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0259","0.0228","","","0.0601","0.0615","","","","","","1.143","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211648","10.651","0.003","11.293","0.003","12.834","0.007","96.116","0.003","102.112","0.003","108.448","0.004","1406.7","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 Cl Cu3 Mo4 N8 O13 -","- C16 H16 Cl Cu3 Mo4 N8 O13 -","- C32 H32 Cl2 Cu6 Mo8 N16 O26 -","2","1","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0743","0.0615","","","0.1768","0.1887","","","","","","1.072","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211649","18.456","0.001","15.443","0.001","20.498","0.002","90","","107.187","0.001","90","","5581.4","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cu2 Mo8 N16 O29 -","- C32 H32 Cu2 Mo8 N16 O29 -","- C128 H128 Cu8 Mo32 N64 O116 -","4","0.5","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0366","0.0303","","","0.0859","0.0899","","","","","","1.04","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211650","12.3881","0.0017","15.8284","0.0021","14.1052","0.0019","90","","92.264","0.0024","90","","2763.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu Mo4 N6 O13 -","- C18 H18 Cu Mo4 N6 O13 -","- C72 H72 Cu4 Mo16 N24 O52 -","4","1","","Zang, Hong-Ying; Lan, Ya-Qian; Yang, Guang-Sheng; Wang, Xin-Long; Shao, Kui-Zhan; Xu, Guang-Juan; Su, Zhong-Min","Construction and property investigation of transition-metal complexes modified octamolybdate hybrid materials based on V-shaped organic ligands","CrystEngComm","2010","12","2","434","","10.1039/b911881k","","","0.71069","MoKα","","0.0531","0.0374","","","0.088","0.0947","","","","","","1.048","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211651","28.368","0.006","11.144","0.002","16.695","0.003","90","","116.37","0.03","90","","4729","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Co2 N14 O15 -","- C42 H40 Co2 N14 O15 -","- C168 H160 Co8 N56 O60 -","4","0.5","","Huang, Fu-Ping; Tian, Jin-Lei; Li, Dong-Dong; Chen, Gong-Jun; Gu, Wen; Yan, Shi-Ping; Liu, Xin; Liao, Dai-Zheng; Cheng, Peng","Pillared cobalt‒organic framework with an unprecedented (3,4,6)-connected architecture showing the coexistence of spin canting and long-range magnetic ordering","CrystEngComm","2010","12","2","395","","10.1039/b911950g","","","0.71073","MoKα","","0.0938","0.0635","","","0.1269","0.1407","","","","","","1.004","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211652","10.241","0.003","10.613","0.003","15.096","0.004","108.329","0.003","107.359","0.003","96.187","0.003","1449.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N4 O6 Zn -","- C32 H26 N4 O6 Zn -","- C64 H52 N8 O12 Zn2 -","2","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0464","0.0379","","","0.1131","0.117","","","","","","1.117","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211653","14.9647","0.0017","18.433","0.002","17.2557","0.0019","90","","111.517","0.002","90","","4428.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cd2 N4 O14 -","- C41 H38 Cd2 N4 O14 -","- C164 H152 Cd8 N16 O56 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0648","0.0394","","","0.1003","0.1105","","","","","","1.008","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211654","14.9754","0.0011","11.6808","0.0008","20.0188","0.0014","90","","108.963","0.001","90","","3311.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26.5 N4 O6.25 Zn -","- C32 H24 N4 O6.25 Zn -","- C128 H96 N16 O25 Zn4 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0892","0.0593","","","0.1927","0.2159","","","","","","1.082","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211655","14.855","0.0007","18.3497","0.0009","17.3074","0.0008","90","","109.786","0.001","90","","4439.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cd2 N4 O16 -","- C41 H38 Cd2 N4 O16 -","- C164 H152 Cd8 N16 O64 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0341","0.0271","","","0.0716","0.0741","","","","","","1.055","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211656","10.1817","0.0015","12.3737","0.0018","15.97","0.002","106.586","0.002","90.654","0.002","103.408","0.002","1869.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 N4 O9 Zn2 -","- C40 H28 N4 O9 Zn2 -","- C80 H56 N8 O18 Zn4 -","2","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0525","0.0386","","","0.1089","0.1141","","","","","","1.108","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211657","20.681","0.004","17.603","0.003","12.788","0.002","90","","105.997","0.002","90","","4475.2","1.4","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Cd N2 O6 -","- C20 H18 Cd N2 O6 -","- C160 H144 Cd8 N16 O48 -","8","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0532","0.0399","","","0.1072","0.1129","","","","","","1.069","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211658","11.9488","0.0013","18.454","0.002","14.4823","0.0015","90","","94.866","0.002","90","","3181.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Br4 N4 O5 Zn -","- C32 H22 Br4 N4 O5 Zn -","- C128 H88 Br16 N16 O20 Zn4 -","4","1","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0642","0.0361","","","0.0864","0.1002","","","","","","1.024","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211659","9.1883","0.0004","13.9263","0.0007","21.9249","0.001","90","","97.257","0.001","90","","2783","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Br12 Cd N4 O14 -","- C48 H28 Br12 Cd N4 O14 -","- C96 H56 Br24 Cd2 N8 O28 -","2","0.5","","Li, Cheng-Peng; Yu, Qian; Zhang, Zhi-Hui; Du, Miao","Multifarious ZnII and CdII coordination frameworks constructed by a versatile trans-1-(2-pyridyl)-2-(4-pyridyl)ethylene tecton and various benzenedicarboxyl ligands","CrystEngComm","2010","12","3","834","","10.1039/b912001g","","","0.71073","MoKα","","0.0473","0.034","","","0.091","0.0972","","","","","","1.011","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211660","10.252","0.0004","11.2447","0.0004","23.89","0.0008","103.24","0.005","91.368","0.005","90.574","0.005","2679.75","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 N3 O2 S -","- C13 H15 N3 O2 S -","- C104 H120 N24 O16 S8 -","8","4","","Nelyubina, Yulia V.; Antipin, Mikhail Yu.; Cherepanov, Iliya A.; Lyssenko, Konstantin A.","Pseudosymmetry as viewed using charge density analysis","CrystEngComm","2010","12","1","77","","10.1039/b912147a","","","0.71073","MoKα","","0.0546","0.0396","","","0.1036","0.1239","","","","","","1.004","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211661","12.644","0.003","13.825","0.003","15.768","0.003","98.332","0.015","102.598","0.015","108.716","0.016","2477.9","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H52 N9 O26 Zn3 -","- C39 H52 N9 O26 Zn3 -","- C78 H104 N18 O52 Zn6 -","2","1","","Han, Zheng-Bo; Zhang, Guo-Xin","Solvothermal synthesis of two unique metal‒organic frameworks: a 3-fold interpenetrating (3,4,5)-connected network and a 2-fold interpenetrating (4,5)-connected network","CrystEngComm","2010","12","2","348","","10.1039/b912158g","","","0.71073","MoKα","","0.0879","0.0506","","","0.119","0.1421","","","","","","1.012","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211662","21.545","0.005","13.381","0.002","8.679","0.003","90","","112.89","0.03","90","","2305.1","1.1","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C17 H22 N4 Na O12 Zn -","- C17 H16 N4 Na O12 Zn -","- C68 H64 N16 Na4 O48 Zn4 -","4","0.5","","Han, Zheng-Bo; Zhang, Guo-Xin","Solvothermal synthesis of two unique metal‒organic frameworks: a 3-fold interpenetrating (3,4,5)-connected network and a 2-fold interpenetrating (4,5)-connected network","CrystEngComm","2010","12","2","348","","10.1039/b912158g","","","0.71073","MoKα","","0.1046","0.0601","","","0.1416","0.1672","","","","","","1.015","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211663","18.732","0.006","12.684","0.005","19.629","0.007","90","","113.496","0.004","90","","4277","3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 N5 O21 S4 -","- C33 H54 N5 O21 S4 -","- C132 H216 N20 O84 S16 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1025","0.0614","","","0.1467","0.2051","","","","","","1.084","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211664","10.947","0.004","25.408","0.006","15.235","0.005","90","","106.129","0.002","90","","4071","2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 N9 O17 -","- C33 H53 N9 O17 -","- C132 H212 N36 O68 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.0941","0.0617","","","0.1589","0.2042","","","","","","1.061","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211665","16.091","0.004","25.497","0.006","19.744","0.005","90","","93.33","0.005","90","","8087","3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 N9 O17 -","- C33 H49 N9 O17 -","- C264 H392 N72 O136 -","8","2","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1139","0.0767","","","0.1643","0.2333","","","","","","1.108","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211666","21.972","0.005","21.972","0.005","21.972","0.005","90","","90","","90","","10607","4","100","1","100","1","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C11 H26 N1.67 O8 S0.5 -","- C11 H16 N1.66667 O8 S0.5 -","- C264 H384 N40 O192 S12 -","24","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1109","0.0701","","","0.1844","0.2485","","","","","","1.103","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211667","9.81","0.003","25.932","0.006","16.314","0.005","90","","98.869","0.006","90","","4101","2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 N8 O18 S -","- C33 H50 N8 O18 S -","- C132 H200 N32 O72 S4 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.","Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands","CrystEngComm","2010","12","2","413","","10.1039/b912264h","","","0.71069","MoKα","","0.1123","0.0787","","","0.1945","0.2255","","","","","","1.026","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211668","8.4268","0.0013","20.661","0.003","11.3627","0.0017","90","","100.242","0.002","90","","1946.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl2 N4 Zn -","- C20 H14 Cl2 N4 Zn -","- C80 H56 Cl8 N16 Zn4 -","4","1","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.057","0.0395","","","0.0823","0.0908","","","","","","1.039","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211669","26.694","0.007","9.283","0.003","17.354","0.005","90","","102.759","0.004","90","","4194","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 N8 O9 Zn2 -","- C44 H28 N8 O9 Zn2 -","- C176 H112 N32 O36 Zn8 -","4","0.5","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.0531","0.0406","","","0.1164","0.1259","","","","","","1.092","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211670","27.178","0.012","11.287","0.005","14.98","0.006","90","","107.48","0.005","90","","4383","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cd N4 O6 -","- C24 H17 Cd N4 O6 -","- C192 H136 Cd8 N32 O48 -","8","1","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.0896","0.0535","","","0.1186","0.1364","","","","","","1.034","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211671","35.332","0.01","10.979","0.003","16.158","0.005","90","","116.232","0.004","90","","5622","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H18 N4 O7 Zn2 -","- C29 H13 N4 O7 Zn2 -","- C232 H104 N32 O56 Zn16 -","8","1","","Wang, Bao-Cheng; Wu, Qing-Ran; Hu, Huai-Ming; Chen, Xiao-Li; Yang, Zhen-Hua; Shangguan, Yi-Qing; Yang, Meng-Lin; Xue, Gang-Lin","Four novel Zn(II)/Cd(II) metal‒organic frameworks constructed from 4′-(4-pyridyl)-4,2′:6′,4″-terpyridine: hydrothermal synthesis, crystal structures, and luminescent properties","CrystEngComm","2010","12","2","485","","10.1039/b912415b","","","0.71073","MoKα","","0.0943","0.0567","","","0.1584","0.1818","","","","","","1.042","","","","has coordinates,has disorder","180447","2020-10-21","18:00:00",""
"7211672","12.1694","0.0003","13.9841","0.0004","14.3235","0.0004","90","","105.557","0.002","90","","2348.24","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Br2 N9 O S -","- C19 H17 Br2 N9 O S -","- C76 H68 Br8 N36 O4 S4 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0832","0.0448","","","0.0893","0.1091","","","","","","0.995","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211673","4.8835","0.0001","10.172","0.0003","27.4296","0.0008","90","","91.328","0.002","90","","1362.2","0.06","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 I N5 O4 -","- C9 H10 I N5 O4 -","- C36 H40 I4 N20 O16 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0583","0.0343","","","0.0675","0.0752","","","","","","1.05","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211674","5.6044","0.0001","8.8412","0.0002","29.3023","0.0006","90","","95.347","0.001","90","","1445.6","0.05","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Cl I N4 O5 -","- C9 H10 Cl I N4 O5 -","- C36 H40 Cl4 I4 N16 O20 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0485","0.0356","","","0.0963","0.1054","","","","","","1.028","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211675","6.8263","0.0002","11.5549","0.0003","17.0562","0.0004","90","","96.788","0.001","90","","1335.92","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C52 H44 N20 O12 -","4","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.0898","0.0473","","","0.1172","0.1473","","","","","","1.004","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211676","5.6061","0.0002","15.8135","0.0006","14.0347","0.0005","90","","97.281","0.002","90","","1234.17","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N9 O4 -","- C26 H23 N9 O4 -","- C52 H46 N18 O8 -","2","1","","Pramanik, Avijit; Majumdar, Subhojit; Das, Gopal","Aryl azo imidazoles assisted assembly of anion/anion‒water through salt formation","CrystEngComm","2010","12","1","250","","10.1039/b912454c","","","0.71073","MoKα","","0.083","0.0519","","","0.1135","0.1445","","","","","","0.98","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211677","15.617","0.007","4.819","0.002","16.3","0.007","90","","90.27","0.017","90","","1226.7","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-picoline chloranilate","4-picoline chloranilate","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C48 H36 Cl8 N4 O16 -","4","1","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0874","0.0548","","0.1139","","0.1139","","","","","","0.895","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211678","7.952","0.005","6.126","0.003","17.658","0.008","90","","96.73","0.03","90","","854.3","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (4-picoline) chloranilate","bis (4-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0986","0.0613","","0.1062","","0.1062","","","","","","1.049","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211679","8.037","0.005","6.099","0.003","17.679","0.008","90","","96.56","0.03","90","","860.9","0.8","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (4-picoline) chloranilate","bis (4-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0758","0.0437","","0.0539","","0.0539","","","","","","1.045","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211680","8.192","0.005","6.099","0.002","17.721","0.009","90","","96.259","0.019","90","","880.1","0.8","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (4-picoline) chloranilate","bis (4-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0997","0.0446","","0.0844","","0.0844","","","","","","0.992","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211681","7.268","0.009","8.957","0.009","16.925","0.018","90","","98.2","0.04","90","","1091","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(4-picoline) chloranilate tetrahydrate","bis(4-picoline) chloranilate tetrahydrate","","- C18 H24 Cl2 N2 O8 -","- C18 H24 Cl2 N2 O8 -","- C36 H48 Cl4 N4 O16 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.1174","0.0668","","0.1592","0.1405","0.1592","","","","","","0.9457","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211682","7.3752","0.0015","9.1468","0.0018","9.7296","0.0019","101.63","0.03","103.92","0.03","97.45","0.03","612.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-picoline chloranilate","","","- C12 H9 Cl2 N O4 -","- C12 H9 Cl2 N O4 -","- C24 H18 Cl4 N2 O8 -","2","1","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0337","0.0298","","0.08","","0.0849","","","","","","1.055","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211683","6.369","0.003","8.597","0.003","16.628","0.006","90","","101.451","0.017","90","","892.3","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-picoline) chloranilate","bis(2-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0557","0.0441","","0.0955","","0.1113","","","","","","1.05","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211684","6.398","0.003","8.657","0.004","16.684","0.007","90","","101.23","0.02","90","","906.4","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-picoline) chloranilate","bis(2-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0646","0.046","","0.1218","","0.1007","","","","","","1.055","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211685","6.419","0.003","8.692","0.004","16.727","0.007","90","","101.031","0.019","90","","916","0.7","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-picoline) chloranilate","bis(2-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0755","0.0462","","0.1046","","0.1379","","","","","","1.046","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211686","5.0366","0.0002","9.3637","0.0004","13.3491","0.0007","97.669","0.002","98.579","0.003","103.66","0.002","595.51","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate","3-picoline chloranilate","","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0619","0.0379","","0.0941","","0.09","","","","","","1.017","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211687","5.0539","0.0002","9.3895","0.0005","13.4239","0.0008","97.829","0.002","98.064","0.003","103.501","0.003","603.77","0.06","200","","200","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate","3-picoline chloranilate","","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0852","0.0438","","0.1151","","0.1151","","","","","","1.016","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211688","5.0718","0.0002","9.4052","0.0005","13.5038","0.0008","98.035","0.002","97.534","0.003","103.372","0.003","611.54","0.06","300","","300","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate","3-picoline chloranilate","","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","- C24 H18 Cl4 N2 O8 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.122","0.0522","","0.1423","","0.1261","","","","","","1.026","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211689","8.642","0.004","9.687","0.004","10.279","0.005","90","","102.08","0.02","90","","841.5","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.047","0.039","","0.128","","0.128","","","","","","1.159","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211690","8.668","0.004","9.737","0.004","10.376","0.005","90","","102.55","0.02","90","","854.8","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0475","0.0385","","0.0997","","0.0997","","","","","","1.033","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211691","8.699","0.005","9.795","0.005","10.486","0.005","90","","103.09","0.02","90","","870.3","0.8","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0637","0.0458","","0.1095","","0.1095","","","","","","1.059","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211692","12.049","0.0005","5.326","0.0001","13.5813","0.0006","90","","96.958","0.002","90","","865.13","0.06","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(3-picoline) chloranilate","bis(3-picoline) chloranilate","","- C18 H16 Cl2 N2 O4 -","- C18 H16 Cl2 N2 O4 -","- C36 H32 Cl4 N4 O8 -","2","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0836","0.0473","","0.1336","","0.1127","","","","","","1.035","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211693","7.167","0.003","12.221","0.006","13.381","0.007","71.414","0.016","86.29","0.02","88.917","0.016","1108.6","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate hemihydrate","3-picoline chloranilate hemihydrate","","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0753","0.0439","","0.1045","","0.1424","","","","","","1.035","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211694","7.205","0.002","12.267","0.004","13.453","0.005","71.274","0.013","86.638","0.016","89.577","0.013","1124.1","0.6","200","","200","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate hemihydrate","3-picoline chloranilate hemihydrate","","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.065","0.0392","","0.0711","","0.101","","","","","","1.078","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211695","7.257","0.006","12.299","0.009","13.5378","0.0012","71.11","0.03","87.03","0.04","90.31","0.03","1141.4","1.3","300","","300","","","","","","","","","5","P -1","-P 1","2","3-picoline chloranilate hemihydrate","3-picoline chloranilate hemihydrate","","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","- C42 H38 Cl6 N4 O14 -","1","0.5","","Adam, Martin S.; Parkin, Andrew; Thomas, Lynne H.; Wilson, Chick C.","Bifurcated hydrogen-bonded synthons in molecular complexes of picolines with chloranilic acid","CrystEngComm","2010","12","3","917","","10.1039/b912539f","","","0.71073","MoKα","","0.0891","0.0442","","0.1309","","0.1309","","","","","","1.0276","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211696","20.276","0.002","20.276","0.002","20.276","0.002","90","","90","","90","","8335.8","1.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C8 H8.83 Cu2 O11.42 -","- C8 H8.82667 Cu2 O11.4167 -","- C192 H211.84 Cu48 O274 -","24","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0456","0.0456","","","0.1528","0.1529","","","","","","1.077","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211697","12.2599","0.0013","22.356","0.002","8.8705","0.0009","90","","92.112","0.001","90","","2429.6","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H20 Cu2 N2 O13 -","- C18 H20 Cu2 N2 O13 -","- C72 H80 Cu8 N8 O52 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0304","0.0292","","","0.0842","0.0852","","","","","","1.083","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211698","8.8222","0.0018","23.392","0.005","15.038","0.005","90","","124.92","0.02","90","","2544.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20.25 H20 Cu2 N2 O12.75 -","- C20.25 H20 Cu2 N2 O12.75 -","- C81 H80 Cu8 N8 O51 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0619","0.0566","","","0.1653","0.1707","","","","","","1.116","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211699","10.194","0.002","13.637","0.003","21.57","0.004","90","","98.92","0.03","90","","2962.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Mn2 N4 O12 -","- C32 H26 Mn2 N4 O12 -","- C128 H104 Mn8 N16 O48 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0839","0.066","","","0.134","0.1439","","","","","","1.166","","","","has coordinates","180447","2020-10-21","18:00:00",""
"7211700","10.292","0.012","13.955","0.016","22.615","0.018","90","","108.06","0.04","90","","3088","6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cd2 N4 O12 -","- C32 H26 Cd2 N4 O12 -","- C128 H104 Cd8 N16 O48 -","4","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.1564","0.0825","","","0.1871","0.2395","","","","","","1.025","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211701","20.5223","0.0006","20.5223","0.0006","20.5223","0.0006","90","","90","","90","","8643.3","0.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C8 H8.67 O11.33 Zn2 -","- C8 H8.66 O11.3333 Zn2 -","- C192 H207.84 O272 Zn48 -","24","1","","Liu, Chun-Sen; Sañudo, E. Carolina; Hu, Min; Zhou, Li-Ming; Guo, Liang-Qi; Ma, Song-Tao; Gao, Li-Jun; Fang, Shao-Ming","Metal‒organic coordination polymers based on a flexible tetrahydrofuran-2,3,4,5-tetracarboxylate ligand: syntheses, crystal structures, and magnetic/photoluminescent properties","CrystEngComm","2010","12","3","853","","10.1039/b912972n","","","0.71073","MoKα","","0.0442","0.0328","","","0.0858","0.0901","","","","","","1.075","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211702","12.369","0.005","8.867","0.002","11.904","0.007","90","","117.17","0.04","90","","1161.5","1","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 F N2 O2 -","- C10 H15 F N2 O2 -","- C40 H60 F4 N8 O8 -","4","1","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Molins, Elies; Deyà, Pere M.","Lone pair‒πvsπ‒π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study","CrystEngComm","2010","12","2","362","","10.1039/b913111f","","x-ray","0.71073","MoKα","","0.2321","0.1013","","","0.3588","0.416","","","","","","1.117","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211703","13.111","0.004","13.285","0.008","13.332","0.006","90.66","0.07","102.36","0.05","94.35","0.04","2260.9","1.9","294","2","294","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C80 H128 N16 O16 -","8","4","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Molins, Elies; Deyà, Pere M.","Lone pair‒πvsπ‒π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study","CrystEngComm","2010","12","2","362","","10.1039/b913111f","","x-ray","0.71073","MoKα","","0.3291","0.108","","","0.2664","0.3354","","","","","","0.929","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211704","13.424","0.002","4.2191","0.0007","20.596","0.004","90","","95.748","0.002","90","","1160.6","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Br2 Hg N3 -","- C9 H7 Br2 Hg N3 -","- C36 H28 Br8 Hg4 N12 -","4","1","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0803","0.0654","","","0.1771","0.1918","","","","","","1.117","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211705","9.324","0.003","15.989","0.005","15.217","0.005","90","","98.827","0.006","90","","2241.7","1.2","294","2","294","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H48 Cl2 Mn N12 O8 -","- C36 H32 Cl2 Mn N12 O8 -","- C72 H64 Cl4 Mn2 N24 O16 -","2","0.25","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0991","0.0675","","","0.1807","0.2073","","","","","","1.072","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211706","10.017","0.003","14.126","0.003","16.534","0.004","90","","102.947","0.005","90","","2280.1","1","273","2","294","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H48 Cl2 Cu N12 O8 -","- C36 H32 Cl2 Cu N12 O8 -","- C72 H64 Cl4 Cu2 N24 O16 -","2","0.25","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0794","0.0677","","","0.1748","0.1912","","","","","","0.94","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211707","21.177","0.005","23.657","0.006","11.481","0.003","90","","90","","90","","5752","2","294","2","294","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C51 H51 Cd Cl5 N18 O10 -","- C51 H42 Cd Cl5 N18 O10 -","- C204 H168 Cd4 Cl20 N72 O40 -","4","0.5","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.1042","0.0575","","","0.1532","0.1968","","","","","","0.983","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211708","22.443","0.019","12.176","0.011","7.998","0.007","90","","107.921","0.019","90","","2080","3","294","2","294","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H38 Cd N14 O9 -","- C34 H28 Cd N14 O9 -","- C68 H56 Cd2 N28 O18 -","2","0.25","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0719","0.0596","","","0.167","0.1901","","","","","","1.004","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211709","10.252","0.002","13.494","0.003","27.698","0.006","90","","97.34","0.03","90","","3800.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cd N14 O7 -","- C36 H32 Cd N14 O7 -","- C144 H128 Cd4 N56 O28 -","4","0.5","","Wang, Duo-Zhi; Hu, Tong-Liang; Zhao, Jiong-Peng; Bu, Xian-He","Metal‒organic coordination architectures of bis(1,2,4-triazole) ligands bearing different spacers: syntheses, structures and luminescent properties","CrystEngComm","2010","12","11","3587","","10.1039/b913147g","","","0.71073","MoKα","","0.0857","0.0737","","","0.2557","0.2732","","","","","","1.065","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211711","8.5795","0.001","13.7534","0.0012","20.8299","0.0018","90","","90","","90","","2457.9","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Bi Cu N5 O13 -","- C20 H22 Bi Cu N5 O13 -","- C80 H88 Bi4 Cu4 N20 O52 -","4","1","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0168","0.0151","","","0.0353","0.0358","","","","","","0.818","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211712","11.7008","0.0002","31.3666","0.0006","12.3487","0.0002","90","","113.234","0.001","90","","4164.6","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Ba Cu2 N6 O14.2 -","- C40 H44 Ba Cu2 N6 O14.2 -","- C160 H176 Ba4 Cu8 N24 O56.8 -","4","1","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0389","0.0283","","","0.0642","0.0696","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211713","14.368","0.002","13.59","0.002","12.525","0.002","90","","106.438","0.007","90","","2345.7","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cu2 N8 O20 Pb2 -","- C40 H44 Cu2 N8 O20 Pb2 -","- C80 H88 Cu4 N16 O40 Pb4 -","2","0.5","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0253","0.023","","","0.0548","0.0558","","","","","","1.067","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211714","12.6881","0.0004","13.5598","0.0005","15.4935","0.0007","115.935","0.001","96.193","0.001","100.846","0.001","2299.13","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cu2 N6 O19 U -","- C40 H48 Cu2 N6 O19 U -","- C80 H96 Cu4 N12 O38 U2 -","2","1","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0201","0.0187","","","0.0484","0.049","","","","","","1.062","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211715","15.809","0.007","16.566","0.008","21.461","0.008","90","","90","","90","","5620","4","100","2","100","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","tetraethylammonium thiocyanate, bis[(1,2-diiodo)tetrafluorobenzene]","","- C21 H20 F8 I4 N2 S -","- C21 H20 F8 I4 N2 S -","- C168 H160 F64 I32 N16 S8 -","8","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.077","0.0518","","","0.126","0.1418","","","","","","0.988","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211716","17.7404","0.0008","22.8074","0.001","12.1785","0.0006","90","","126.259","0.001","90","","3973.4","0.3","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","tetraethylammonium thiocyanate, 1,3-diiodotetrafluorobenzene","","- C15 H20 F4 I2 N2 S -","- C15 H20 F4 I2 N2 S -","- C120 H160 F32 I16 N16 S8 -","8","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0236","0.0216","","","0.0531","0.0544","","","","","","1.058","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211717","16.4673","0.0012","16.426","0.0014","24.711","0.002","90","","91.847","0.003","90","","6680.7","0.9","100","2","100","2","","","","","","","synthesis as described","6","P 1 2/a 1","-P 2ya","13","","Bis(tetraethylammonium thiocyanate), 1,4-diiodotetrafluorobenzene","","- C48 H40 F20 I10 N4 S2 -","- C48 H40 F20 I10 N4 S2 -","- C192 H160 F80 I40 N16 S8 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0763","0.0629","","","0.1496","0.1542","","","","","","1.216","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211718","10.0837","0.0007","22.4174","0.0014","12.9033","0.0008","90","","93.2206","0.0019","90","","2912.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrabutylammonium thiocyanate, 1,4-diiodotetrafluorobenzene","","- C23 H36 F4 I2 N2 S -","- C23 H36 F4 I2 N2 S -","- C92 H144 F16 I8 N8 S4 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0593","0.0317","","","0.0629","0.0738","","","","","","1.009","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211719","8.051","0.0004","21.1985","0.0012","13.2534","0.0005","90","","100.872","0.002","90","","2221.35","0.19","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 F3 I3 N2 S -","- C15 H20 F3 I3 N2 S -","- C60 H80 F12 I12 N8 S4 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0253","0.0203","","","0.0391","0.0407","","","","","","1.036","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211720","17.574","0.004","18.064","0.004","16.31","0.003","90","","97.42","0.03","90","","5134.4","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","sym-C6F3I3, (TBASCN)2","Bis(tetrabutylammonium thiocyanate), 1,3,5-triiodo-2,4,7-trifluorobenzene","","- C40 H72 F3 I3 N4 S2 -","- C40 H72 F3 I3 N4 S2 -","- C160 H288 F12 I12 N16 S8 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0761","0.0457","","","0.1094","0.1374","","","","","","1.104","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211721","11.689","0.01","18.209","0.015","8.209","0.007","90","","110.557","0.002","90","","1636","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cd N4 O5 -","- C15 H12 Cd N4 O5 -","- C60 H48 Cd4 N16 O20 -","4","1","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.0865","0.0454","","","0.0758","0.0841","","","","","","0.875","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211722","13.0295","0.0017","13.8924","0.0018","7.6163","0.001","90","","90","0.002","90","","1378.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cd N4 O4 -","- C13 H9 Cd N4 O4 -","- C52 H36 Cd4 N16 O16 -","4","0.5","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.0275","0.0265","","","0.0686","0.0693","","","","","","1.12","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211723","10.7731","0.0015","12.8762","0.0018","13.8455","0.0019","99.387","0.001","111.108","0.002","106.958","0.003","1634.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Cd2 N8 O15 S -","- C26 H18 Cd2 N8 O15 S -","- C52 H36 Cd4 N16 O30 S2 -","2","1","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.0901","0.0546","","","0.0913","0.1024","","","","","","0.879","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211724","32.732","0.003","8.333","0.0008","17.4514","0.0015","90","","91.845","0.002","90","","4757.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Cd N8 O5 -","- C26 H18 Cd N8 O5 -","- C208 H144 Cd8 N64 O40 -","8","1","","Su, Zhi; Cai, Kai; Fan, Jian; Chen, Shui-Sheng; Chen, Man-Sheng; Sun, Wei-Yin","Cadmium(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoate: topological and structural diversity tuned by counteranions","CrystEngComm","2010","12","1","100","","10.1039/b913639h","","","0.71073","MoKα","","0.046","0.0417","","","0.1033","0.1061","","","","","","1.141","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211725","23.958","0.002","23.958","0.002","15.0646","0.0016","90","","90","","90","","8646.9","1.4","200","2","200","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C45.5 H36.83 N9.83 O1.83 Zn -","- C26.6667 H16 N5.33333 Zn0.666667 -","- C320 H192 N64 Zn8 -","12","1.5","","Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.","Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide","CrystEngComm","2010","12","2","387","","10.1039/b913791b","","","1.54178","CuKα","","0.0827","0.0589","","","0.1525","0.164","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211726","32.437","0.0012","14.9728","0.0004","27.7263","0.001","90","","114.155","0.004","90","","12286.9","0.8","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H40.33 N10.33 O2.33 Zn -","- C47 H40.3333 N10.3333 O2.33333 Zn -","- C564 H484 N124 O28 Zn12 -","12","1.5","","Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.","Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide","CrystEngComm","2010","12","2","387","","10.1039/b913791b","","","0.71073","MoKα","","0.0937","0.0437","","","0.0928","0.1007","","","","","","0.83","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211727","12.7667","0.0016","17.478","0.002","20.151","0.003","112.292","0.002","95.972","0.002","98.064","0.002","4058.1","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 N10 O2 Zn -","- C46 H38 N10 O2 Zn -","- C184 H152 N40 O8 Zn4 -","4","2","","Seidel, Rüdiger W.; Goddard, Richard; Föcker, Kirsten; Oppel, Iris M.","Supramolecular isomerism of self-complementary zinc-5,10,15,20-tetra(4-pyridyl)porphyrin in the presence of dimethylformamide","CrystEngComm","2010","12","2","387","","10.1039/b913791b","","","0.71073","MoKα","","0.0488","0.0381","","","0.088","0.0923","","","","","","1.069","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211728","14.1299","0.0003","15.0607","0.0002","18.9204","0.0003","95.725","0.001","108.508","0.002","102.781","0.002","3660.09","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H90 Gd N2 O30 P S4 -","- C64 H90 Gd N2 O30 P S4 -","- C128 H180 Gd2 N4 O60 P2 S8 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Calixarene C8-imidazolium interplay as a design strategy for penetrating organic bi-layers","CrystEngComm","2010","12","2","573","","10.1039/b913826a","","","0.71073","MoKα","","0.0468","0.0324","","","0.0771","0.0797","","","","","","1.006","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211729","14.3621","0.0002","14.4461","0.0002","19.9814","0.0003","99.588","0.001","104.357","0.001","106.15","0.001","3732.08","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H94 Gd N2 O32 P S4 -","- C65 H94 Gd N2 O32 P S4 -","- C130 H188 Gd2 N4 O64 P2 S8 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Calixarene C8-imidazolium interplay as a design strategy for penetrating organic bi-layers","CrystEngComm","2010","12","2","573","","10.1039/b913826a","","","0.71073","MoKα","","0.0896","0.0698","","","0.197","0.2089","","","","","","1.008","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211730","10.383","0.004","10.589","0.004","13.43","0.005","97.769","0.004","91.815","0.004","92.824","0.004","1460.1","1","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H21 Co N3 O11 S -","- C31 H21 Co N3 O11 S -","- C62 H42 Co2 N6 O22 S2 -","2","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0952","0.0815","","","0.2411","0.2512","","","","","","1.138","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211731","7.7399","0.0009","14.1982","0.0017","18.887","0.002","92.863","0.002","100.801","0.002","93.957","0.002","2029.7","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Co2 N4 O16 S -","- C40 H34 Co2 N4 O16 S -","- C80 H68 Co4 N8 O32 S2 -","2","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0878","0.0511","","","0.1097","0.1342","","","","","","1.039","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211732","7.3235","0.0006","23.2694","0.0018","23.6456","0.0018","90","","98.442","0.001","90","","3985.9","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Mn2 N4 O15 S -","- C40 H32 Mn2 N4 O15 S -","- C160 H128 Mn8 N16 O60 S4 -","4","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0569","0.0395","","","0.1019","0.1129","","","","","","1.047","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211733","12.826","0.003","38.75","0.008","7.3476","0.0014","90","","94.165","0.002","90","","3642.2","1.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Mn2 N4 O14 S -","- C36 H30 Mn2 N4 O14 S -","- C144 H120 Mn8 N16 O56 S4 -","4","1","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0527","0.0403","","","0.0995","0.1059","","","","","","1.091","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211734","17.581","0.002","27.365","0.003","8.8889","0.0011","90","","90","","90","","4276.5","0.9","291","2","291","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C40 H38 Mn2 N4 O16 S -","- C40 H38 Mn2 N4 O16 S -","- C160 H152 Mn8 N16 O64 S4 -","4","","","Fu, Feng; Li, Dong-Sheng; Wu, Ya-Pan; Gao, Xiao-Ming; Du*, Miao; Tang, Long; Zhang, Xiao-Ning; Meng, Cai-Xia","A versatile V-shaped tetracarboxylate building block for constructing mixed-ligand Co(ii) and Mn(ii) complexes incorporating various N-donor co-ligands","CrystEngComm","2010","12","4","1227","","10.1039/b913861g","","","0.71073","MoKα","","0.0609","0.0523","","","0.1435","0.1514","","","","","","1.029","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211735","7.4685","0.0012","18.677","0.003","21.713","0.003","90","","105.671","0.004","90","","2916.1","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 Cd2 N4 O10 S -","- C30 H20 Cd2 N4 O10 S -","- C120 H80 Cd8 N16 O40 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0514","0.0353","","","0.0994","0.1134","","","","","","1.076","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211736","10.4927","0.0013","10.6448","0.0014","45.543","0.006","90","","90","","90","","5086.8","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 N8 O10 S Zn2 -","- C56 H42 N8 O10 S Zn2 -","- C224 H168 N32 O40 S4 Zn8 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0449","0.0353","","","0.0733","0.0761","","","","","","1.004","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211737","13.8544","0.0013","14.6245","0.0013","17.9282","0.0017","90","","90","","90","","3632.5","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 Cd N6 O9 S -","- C35 H38 Cd N6 O9 S -","- C140 H152 Cd4 N24 O36 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0535","0.0399","","","0.0869","0.1037","","","","","","1.033","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211738","6.039","0.003","29.302","0.015","17.045","0.008","90","","98.896","0.007","90","","2980","3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H26 Co N4 O6 S -","- C34 H26 Co N4 O6 S -","- C136 H104 Co4 N16 O24 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0793","0.0511","","","0.0877","0.0983","","","","","","0.992","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211739","8.7329","0.0002","11.2712","0.0003","27.1832","0.0007","90","","90","","90","","2675.65","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Co N4 O6 S -","- C28 H22 Co N4 O6 S -","- C112 H88 Co4 N16 O24 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0553","0.0415","","","0.089","0.1031","","","","","","1.068","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211740","8.2591","0.0017","10.651","0.002","13.12","0.003","93.858","0.002","103.532","0.002","107.906","0.002","1055.6","0.4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N2 O38 Sm4 -","- C22 H34 N2 O38 Sm4 -","- C22 H34 N2 O38 Sm4 -","1","0.5","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0306","0.0253","","","0.0572","0.0601","","","","","","1.087","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211741","8.2119","0.001","10.5846","0.0013","13.0751","0.0016","94.001","0.001","103.302","0.001","107.72","0.001","1041.5","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H17 Gd2 N O19 -","- C11 H17 Gd2 N O19 -","- C22 H34 Gd4 N2 O38 -","2","1","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0269","0.0222","","","0.0475","0.0501","","","","","","1.028","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211742","8.8003","0.0008","14.0615","0.0013","11.8535","0.0011","90","","93.024","0.001","90","","1464.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Gd N2 O9 -","- C9 H14 Gd N2 O9 -","- C36 H56 Gd4 N8 O36 -","4","1","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0209","0.0199","","","0.0536","0.0544","","","","","","1.08","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211743","18.8558","0.0019","6.5831","0.0007","18.7543","0.0019","90","","90","","90","","2328","0.4","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H20 Ce2 N2 O19 S -","- C14 H20 Ce2 N2 O19 S -","- C56 H80 Ce8 N8 O76 S4 -","4","1","","Feng, Xun; Wang, Li-Ya; Zhao, Jian-She; Wang, Jian-Ge; Weng, Ng Seik; Liu, Bin; Shi, Xin-Ge","Series of anion-directed lanthanide-rigid-flexible frameworks: syntheses, structures, luminescence and magnetic properties","CrystEngComm","2010","12","3","774","","10.1039/b913977j","","","0.71073","MoKα","","0.0267","0.0234","","","0.0502","0.052","","","","","","1.065","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211744","8.0708","0.0006","10.1838","0.0007","11.5445","0.0008","89.551","0.001","86.185","0.001","67.561","0.001","874.92","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Cd Cl2 F4 N12 O12 -","- C26 H28 Cd Cl2 F4 N12 O12 -","- C26 H28 Cd Cl2 F4 N12 O12 -","1","0.5","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0323","0.0297","","","0.081","0.0825","","","","","","1.052","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211745","10.816","0.003","15.076","0.004","15.098","0.004","79.599","0.004","89.568","0.004","89.695","0.004","2421.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H37 Cd F6 N20 O9.5 -","- C39 H37 Cd F6 N20 O9.5 -","- C78 H74 Cd2 F12 N40 O19 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0423","0.0327","","","0.083","0.0862","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211746","10.6019","0.0009","12.0311","0.0011","14.5296","0.0012","87.735","0.002","77.347","0.002","75.328","0.002","1749.1","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H24 Cd Cl F4 N13 O6 S -","- C27 H24 Cd Cl F4 N13 O6 S -","- C54 H48 Cd2 Cl2 F8 N26 O12 S2 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0867","0.0513","","","0.0943","0.114","","","","","","1.023","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211747","10.693","0.006","12.064","0.007","14.206","0.008","87.859","0.007","77.101","0.007","74.224","0.007","1718.5","1.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H24 Cd F4 N14 O5 S -","- C27 H24 Cd F4 N14 O5 S -","- C54 H48 Cd2 F8 N28 O10 S2 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0401","0.0314","","","0.0808","0.0849","","","","","","1.041","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211748","10.418","0.007","11.828","0.008","14.374","0.009","89.593","0.009","71.405","0.009","77.472","0.008","1635.1","1.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H24 Cd Cl F4 N13 O2 S -","- C27 H24 Cd Cl F4 N13 O2 S -","- C54 H48 Cd2 Cl2 F8 N26 O4 S2 -","2","1","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.0672","0.0502","","","0.132","0.1415","","","","","","0.996","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211749","8.965","0.006","12.605","0.009","17.485","0.014","90","","114.149","0.014","90","","1803","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cd F4 N14 O4 S2 -","- C28 H28 Cd F4 N14 O4 S2 -","- C56 H56 Cd2 F8 N28 O8 S4 -","2","0.5","","Ling, Yun; Zhang, Lei; Li, Jing; Fan, Shuan-Shi; Du, Miao","Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers","CrystEngComm","2010","12","2","604","","10.1039/b914049b","","","0.71073","MoKα","","0.196","0.0889","","","0.17","0.2175","","","","","","0.956","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211750","14.502","0.004","18.01","0.005","22.474","0.006","90","","105.787","0.005","90","","5648","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H32 F12 N4 O8 Zn2 -","- C58 H32 F12 N4 O8 Zn2 -","- C232 H128 F48 N16 O32 Zn8 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.1353","0.0524","","","0.0935","0.1111","","","","","","1.005","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211751","14.0527","0.0008","14.4139","0.0008","14.9697","0.0008","90","","117.794","0.001","90","","2682.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 F6 N3 O4 Zn -","- C27 H17 F6 N3 O4 Zn -","- C108 H68 F24 N12 O16 Zn4 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.112","0.0649","","","0.0999","0.1128","","","","","","1.083","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211752","12.468","0.002","17.796","0.003","13.267","0.003","90","","105.031","0.003","90","","2843","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 F6 N2 O4 Zn -","- C30 H22 F6 N2 O4 Zn -","- C120 H88 F24 N8 O16 Zn4 -","4","0.5","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.1275","0.0808","","","0.1194","0.1326","","","","","","1.145","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211753","31.3355","0.0012","15.4292","0.0006","23.8481","0.0009","90","","91.552","0.001","90","","11525.9","0.8","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H36 F12 N4 O8 Zn2 -","- C58 H36 F12 N4 O8 Zn2 -","- C464 H288 F96 N32 O64 Zn16 -","8","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.199","0.1123","","","0.1081","0.1254","","","","","","1.192","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211754","23.7684","0.001","12.5542","0.0005","14.115","0.0006","90","","93.759","0.001","90","","4202.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 F12 N2 O8 Zn2 -","- C44 H24 F12 N2 O8 Zn2 -","- C176 H96 F48 N8 O32 Zn8 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.1404","0.0801","","","0.1166","0.1318","","","","","","1.117","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211755","12.941","0.002","6.9994","0.0012","23.738","0.004","90","","118.131","0.003","90","","1896.2","0.5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H10 F6 O5 Zn -","- C17 H10 F6 O5 Zn -","- C68 H40 F24 O20 Zn4 -","4","1","","Gándara, Felipe; Medina, Manuela E.; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Proserpio, Davide M.; Angeles Monge, M.","Ligand dependent topology changes in six zinc coordination polymers","CrystEngComm","2010","12","3","711","","10.1039/b914147b","","","0.71073","MoKα","","0.0722","0.0408","","","0.0909","0.0963","","","","","","0.971","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211756","13.0066","0.0008","21.6122","0.0013","17.6985","0.0011","90","","111.093","0.001","90","","4641.7","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Bis(triphenylphosphine-P)(N-diisopropoxythiophosphoryl-N`- tert-buthylthiocarbamido-S,S`)copper(i)","","","- C47 H54 Cu N2 O2 P3 S2 -","- C47 H54 Cu N2 O2 P3 S2 -","- C188 H216 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0453","0.032","","","0.0806","0.0885","","","","","","1.017","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211757","12.7328","0.0008","21.3708","0.0012","16.9009","0.001","90","","105.617","0.005","90","","4429.1","0.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H50 Cu N2 O2 P3 S2 -","- C45 H50 Cu N2 O2 P3 S2 -","- C180 H200 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0324","0.0305","","","0.0786","0.0795","","","","","","1.041","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211758","12.8828","0.0015","21.032","0.002","17.227","0.002","90","","109.286","0.003","90","","4405.7","0.8","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 Cu N2 O2 P3 S2 -","- C46 H52 Cu N2 O2 P3 S2 -","- C184 H208 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0793","0.0558","","","0.1325","0.146","","","","","","1.022","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211759","10.7497","0.0007","12.5836","0.0008","16.4356","0.0011","83.842","0.005","83.922","0.005","78.782","0.005","2159.9","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H48 Cu N2 O2 P3 S2 -","- C44 H48 Cu N2 O2 P3 S2 -","- C88 H96 Cu2 N4 O4 P6 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0525","0.0392","","","0.0956","0.1003","","","","","","0.95","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211760","11.465","0.0005","14.3083","0.0007","17.0891","0.0008","109.818","0.004","90.221","0.004","112.994","0.004","2397.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H54 Cu N2 O2 P3 S2 -","- C51 H54 Cu N2 O2 P3 S2 -","- C102 H108 Cu2 N4 O4 P6 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0381","0.0305","","","0.0749","0.0773","","","","","","1.029","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211761","13.5587","0.0006","17.5724","0.0004","27.298","0.001","90","","98.651","0.003","90","","6430","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H70 Cu2 I N2 O3 P5 S2 -","- C66 H70 Cu2 I N2 O3 P5 S2 -","- C264 H280 Cu8 I4 N8 O12 P20 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0424","0.0314","","","0.0747","0.0776","","","","","","0.941","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211762","10.7751","0.0005","11.7916","0.0005","16.6198","0.0008","76.507","0.004","83.057","0.004","71.394","0.004","1943.56","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H44 Cu N2 O2 P3 S2 -","- C39 H44 Cu N2 O2 P3 S2 -","- C78 H88 Cu2 N4 O4 P6 S4 -","2","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0471","0.0374","","","0.0878","0.0917","","","","","","1.035","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211763","12.7625","0.0005","28.9176","0.0012","22.7401","0.0008","90","","96.515","0.003","90","","8338.3","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 Cu N2 O2 P3 S2 -","- C42 H50 Cu N2 O2 P3 S2 -","- C336 H400 Cu8 N16 O16 P24 S16 -","8","2","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.1259","0.0654","","","0.1027","0.1179","","","","","","1.044","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211764","10.3331","0.0003","30.3668","0.0006","11.9019","0.0003","90","","96.807","0.002","90","","3708.29","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 Cu N2 O2 P3 S2 -","- C35 H44 Cu N2 O2 P3 S2 -","- C140 H176 Cu4 N8 O8 P12 S8 -","4","1","","Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel","Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence","CrystEngComm","2010","12","1","134","","10.1039/b914163d","","","0.71073","MoKα","","0.0272","0.0257","","","0.0633","0.0642","","","","","","1.072","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211765","11.627","0.002","12.865","0.003","14.183","0.003","108.78","0.03","106.05","0.03","96.98","0.03","1877.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H44 Cl4 Er3 N12 O14.5 -","- C12 H44 Cl4 Er3 N12 O14.5 -","- C24 H88 Cl8 Er6 N24 O29 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0596","0.0505","","","0.1239","0.1292","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211766","11.622","0.002","12.889","0.003","14.169","0.003","108.72","0.03","106.11","0.03","96.88","0.03","1879.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H30 Cl4 Ho3 N12 O14.5 -","- C12 H30 Cl4 Ho3 N12 O14.5 -","- C24 H60 Cl8 Ho6 N24 O29 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0633","0.0539","","","0.1343","0.1417","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211767","11.613","0.002","12.916","0.003","14.153","0.003","108.55","0.03","106.14","0.03","96.85","0.03","1882.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H30 Cl4 Dy3 N12 O14.5 -","- C12 H30 Cl4 Dy3 N12 O14.5 -","- C24 H60 Cl8 Dy6 N24 O29 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0351","0.032","","","0.0797","0.0812","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211768","19.543","0.009","24.565","0.005","13.837","0.003","90","","90","","90","","6643","4","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C8 H25 Cl4 Gd3 N8 O16 -","- C8 H25 Cl4 Gd3 N8 O16 -","- C64 H200 Cl32 Gd24 N64 O128 -","8","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0744","0.0553","","","0.1181","0.1271","","","","","","1.103","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211769","14.27","0.003","13.896","0.003","19.504","0.007","90","","120.6","0.02","90","","3329","1.7","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C8 H25 Cl4 N8 O16 Tb3 -","- C8 H25 Cl4 N8 O16 Tb3 -","- C32 H100 Cl16 N32 O64 Tb12 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Yang, Guang; Yang, Guang-Ming; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Hydrolytic synthesis and structural characterization of five hexanuclear oxo-hydroxo lanthanide clusters","CrystEngComm","2010","12","2","543","","10.1039/b914208h","","","0.71073","MoKα","","0.0946","0.0544","","","0.1048","0.1173","","","","","","1.081","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211772","13.207","0.006","5.347","0.002","18.891","0.007","90","","116.37","0.02","90","","1195.2","0.9","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","10,11-Dihydro-5H-dibenzo(b,f)azepine-5-carboxamide","10,11-Dihydro-5H-dibenzo(b,f)azepine-5-carboxamide","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Arlin, Jean-Baptiste; Johnston, Andrea; Miller, Gary J.; Kennedy, Alan R.; Price, Sarah L.; Florence, Alastair J.","A predicted dimer-based polymorph of 10,11-dihydrocarbamazepine (Form IV)","CrystEngComm","2010","12","1","64","","10.1039/b914365c","","","0.71073","MoKα","","0.0806","0.0427","","","0.084","0.0983","","","","","","1.029","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211773","9.804","0.004","11.001","0.004","20.153","0.008","92.799","0.009","98.239","0.009","109.087","0.008","2022.2","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cr N2 O13 P -","- C40 H32 Cr N2 O13 P -","- C80 H64 Cr2 N4 O26 P2 -","2","1","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.1289","0.0619","","","0.1596","0.1996","","","","","","1.014","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211774","9.7453","0.0008","10.9615","0.0009","20.0602","0.0017","93.031","0.002","99.433","0.002","108.355","0.002","1993.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 As Cr N2 O13 -","- C40 H42 As Cr N2 O13 -","- C80 H84 As2 Cr2 N4 O26 -","2","1","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.0298","0.0263","","","0.0711","0.0735","","","","","","1.056","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211775","19.493","0.008","9.687","0.004","24.2","0.009","90","","98.736","0.01","90","","4517","3","213","2","213","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C64 H90 Ba2 Cr4 N8 O53 -","- C64 H48 Ba2 Cr4 N8 O53 -","- C128 H96 Ba4 Cr8 N16 O106 -","2","0.5","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.1149","0.0553","","","0.1241","0.1483","","","","","","1.053","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211776","10.106","0.004","12.278","0.005","17.285","0.007","90","","92.851","0.009","90","","2142.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Ag Cr N2 O12 -","- C16 H12 Ag Cr N2 O12 -","- C64 H48 Ag4 Cr4 N8 O48 -","4","1","","Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel","[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O","CrystEngComm","2010","12","1","122","","10.1039/b914419f","","","0.71073","MoKα","","0.1417","0.0681","","","0.179","0.2153","","","","","","1.045","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211777","13.806","0.002","13.806","0.002","23.27","0.005","90","","90","","120","","3841.2","1.1","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Ni7(OH)6(L1)6)(NO3)2","","","- C54 H66 N8 Ni7 O24 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.","Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities","CrystEngComm","2010","12","1","59","","10.1039/b914538a","","","0.7107","MoKα","","0.1209","0.0802","","","0.2446","0.2662","","","","","","1.091","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211778","13.933","0.002","13.933","0.002","22.742","0.005","90","","90","","120","","3823.4","1.1","150","2","150","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","(Ni7(OH)6(L1)6)(NO3)2.3MeNO2","","","- C57 H75 N11 Ni7 O24 -","- C57 H60 N11 Ni7 O30 -","- C114 H120 N22 Ni14 O60 -","2","0.166667","","Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.","Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities","CrystEngComm","2010","12","1","59","","10.1039/b914538a","","","0.7107","MoKα","","0.064","0.0502","","","0.1676","0.1725","","","","","","1.191","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211779","28.8575","0.0014","11.1352","0.0003","27.4079","0.0013","90","","109.603","0.006","90","","8296.6","0.7","373","2","373","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Ni7(OH)6(L2)6)(NO3)2.2MeCN","","","- C58 H66 Br6 N10 Ni7 O24 -","- C58 H66 Br6 N10 Ni7 O24 -","- C232 H264 Br24 N40 Ni28 O96 -","4","0.5","","Meally, Seán T.; Karotsis, Georgios; Brechin, Euan K.; Papaefstathiou, Giannis S.; Dunne, Peter W.; McArdle, Patrick; Jones, Leigh F.","Planar [Ni7] discs as double-bowl, pseudo metallacalix[6]arene host cavities","CrystEngComm","2010","12","1","59","","10.1039/b914538a","","","0.7107","MoKα","","0.109","0.0511","","","0.1217","0.1325","","","","","","0.852","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211780","23.033","0.003","14.036","0.002","27.135","0.004","90","","98.508","0.003","90","","8676","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EH-01-64-02 (ethylpropion-3-yl) nitro- spiropyran","","- C24 H26 N2 O5 -","- C24 H26 N2 O5 -","- C384 H416 N32 O80 -","16","4","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John; Natali, Manuel; Douglawi, Antoin; Giordani, Silvia","The balance between closed and open forms of spiropyrans in the solid state","CrystEngComm","2010","12","4","1027","","10.1039/b914566d","","","0.71073","MoKα","","0.2143","0.0849","","","0.1995","0.2481","","","","","","1.097","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211781","15.1881","0.0013","12.6063","0.001","12.1356","0.001","90","","103.863","0.003","90","","2255.9","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","EH-01-65-10 (ethylpropion-3-yl) methoxy nitro- spiropyran","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John; Natali, Manuel; Douglawi, Antoin; Giordani, Silvia","The balance between closed and open forms of spiropyrans in the solid state","CrystEngComm","2010","12","4","1027","","10.1039/b914566d","","","0.71073","MoKα","","0.0474","0.0406","","","0.1022","0.1082","","","","","","1.017","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211782","6.7336","0.0003","30.1846","0.0012","9.5144","0.0004","90","","96.314","0.002","90","","1922.08","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","EH-01-64-04 nitro- methoxy- hydroxyethyl spiropyran","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C84 H88 N8 O20 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John; Natali, Manuel; Douglawi, Antoin; Giordani, Silvia","The balance between closed and open forms of spiropyrans in the solid state","CrystEngComm","2010","12","4","1027","","10.1039/b914566d","","","0.71073","MoKα","","0.0498","0.0408","","","0.1139","0.1205","","","","","","1.037","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211783","17.1458","0.0009","9.6805","0.0005","15.0694","0.0008","90","","90","","90","","2501.2","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H18 I3 N3 O8 Pb -","- C18 H18 I3 N3 O8 Pb -","- C72 H72 I12 N12 O32 Pb4 -","4","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0327","0.0309","","","0.0724","0.0735","","","","","","1.028","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211784","9.3959","0.0009","9.3959","0.0009","12.2406","0.0012","90","","90","","120","","935.86","0.16","293","2","293","2","","","","","","","","6","P 31","P 31","144","","","","- C8 H2 I3 N O4 Pb -","- C8 H2 I3 N O4 Pb -","- C24 H6 I9 N3 O12 Pb3 -","3","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.034","0.0291","","","0.0527","0.0541","","","","","","1.026","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211785","28.218","0.002","28.218","0.002","17.741","0.001","90","","90","","120","","12233.8","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C14 H10 I3 N5 O5 Pb -","- C14 H10 I3 N5 O5 Pb -","- C252 H180 I54 N90 O90 Pb18 -","18","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0865","0.048","","","0.1375","0.1574","","","","","","1.079","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211786","9.3044","0.0009","15.8623","0.0015","18.9924","0.0018","90","","90","","90","","2803.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 I3 N O5 -","- C8 H6 I3 N O5 -","- C64 H48 I24 N8 O40 -","8","1","","Zhang, Kou-Lin; Chang, Yan; Hou, Chuan-Tao; Diao, Guo-Wang; Wu, Rentao; Ng, Seik Weng","Effect of N-donor auxiliary ligands on the engineering of crystalline architectures of a series of lead(ii) complexes with 5-amino-2,4,6-triiodoisophthalic acid","CrystEngComm","2010","12","4","1194","","10.1039/b914623g","","","0.71073","MoKα","","0.0366","0.0328","","","0.0739","0.0755","","","","","","1.129","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211787","5.181","0.002","12.677","0.007","19.161","0.01","90","","92.237","0.013","90","","1257.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Li3 O32 W8 Y3 -","- Ba2 Li3 O32 W8 Y3 -","- Ba4 Li6 O64 W16 Y6 -","2","0.25","","Li, Hao; Wang, Guojian; Zhang, Lizhen; Huang, Yisheng; Wang, Guofu","Growth and structure of Nd3±doped Li3Ba2Y3(WO4)8 crystal with a disorder structure","CrystEngComm","2010","12","4","1307","","10.1039/b914641e","","","0.71073","MoKα","","0.0523","0.0462","","","0.0978","0.101","","","","","","1.056","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211788","19.892","0.004","16.078","0.003","28.362","0.006","90","","90","","90","","9071","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H75 Co2 Mo8 N10 O48 P V6 -","- C60 H32 Co2 Mo8 N10 O48 P V6 -","- C240 H128 Co8 Mo32 N40 O192 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0865","0.0576","","","0.1466","0.169","","","","","","1.072","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211789","19.809","0.004","16.058","0.003","28.211","0.006","90","","90","","90","","8974","3","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H75 Mo8 N10 Ni2 O48 P V6 -","- C60 H32 Mo8 N10 Ni2 O48 P V6 -","- C240 H128 Mo32 N40 Ni8 O192 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0725","0.0521","","","0.1349","0.1501","","","","","","1.061","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211790","13.537","0.003","13.544","0.003","13.894","0.003","116.77","0.03","96.74","0.03","93.5","0.03","2239.9","1.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H49 Mo8 N10 O46 P V6 Zn2 -","- C58 H32 Mo8 N10 O46 P V6 Zn2 -","- C58 H32 Mo8 N10 O46 P V6 Zn2 -","1","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.1218","0.067","","","0.2083","0.2416","","","","","","1.082","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211791","24.189","0.005","12.933","0.003","25.434","0.005","90","","117","0.03","90","","7089","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 Co Mo8 N5 O46 P V6 -","- C29 H16 Co Mo8 N5 O46 P V6 -","- C116 H64 Co4 Mo32 N20 O184 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0715","0.0607","","","0.1925","0.2036","","","","","","1.087","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211792","23.891","0.005","12.987","0.003","25.694","0.005","90","","116.07","0.03","90","","7161","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 Co Mo8 N8 O47 P V6 -","- C30 H16 Co Mo8 N8 O47 P V6 -","- C120 H64 Co4 Mo32 N32 O188 P4 V24 -","4","0.5","","Shi, Shu-Yun; Zou, Yong-Cun; Cui, Xiao-Bing; Xu, Jia-Ning; Wang, Yan; Wang, Guo-Wu; Yang, Guang-Di; Xu, Ji-Qing; Wang, Tie-Gang; Gao, Zhong-Min","0D and 1D dimensional structures based on the combination of polyoxometalates, transition metal coordination complexes and organic amines","CrystEngComm","2010","12","7","2122","","10.1039/b914655e","","","0.71073","MoKα","","0.0646","0.0543","","","0.1713","0.1802","","","","","","1.088","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211793","20.258","0.003","4.7728","0.0006","21.145","0.003","90","","90","","90","","2044.5","0.5","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H21 Cu N3 O9 -","- C18 H21 Cu N3 O9 -","- C72 H84 Cu4 N12 O36 -","4","1","","Farnum, Gregory A.; Nettleman, Joseph H.; LaDuca, Robert L.","Structure and physical properties of substituted malonate divalent metal coordination polymers with dipyridylamine co-ligands: acentric chain, herringbone layer, and novel binodal network topologies","CrystEngComm","2010","12","3","888","","10.1039/b914746b","","","0.71073","MoKα","","0.043","0.0339","","","0.083","0.087","","","","","","1.058","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211794","29.09","0.004","9.1837","0.0011","21.114","0.003","90","","127.764","0.001","90","","4459.2","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H43 Cl2 Cu3 N9 O18 -","- C40 H39 Cl2 Cu3 N9 O18 -","- C160 H156 Cl8 Cu12 N36 O72 -","4","0.5","","Farnum, Gregory A.; Nettleman, Joseph H.; LaDuca, Robert L.","Structure and physical properties of substituted malonate divalent metal coordination polymers with dipyridylamine co-ligands: acentric chain, herringbone layer, and novel binodal network topologies","CrystEngComm","2010","12","3","888","","10.1039/b914746b","","","0.71073","MoKα","","0.0531","0.0396","","","0.0961","0.1025","","","","","","1.087","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211795","23.5744","0.0003","23.5744","0.0003","15.0025","0.0003","90","","90","","90","","8337.7","0.2","110","2","110","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C40 H24 N8 Zn -","- C40 H24 N8 Zn -","- C320 H192 N64 Zn8 -","8","1","","Lipstman, Sophia; Goldberg, Israel","New cyclic tetrameric and square-grid polymeric modes of supramolecular self-assembly of zinc tetra(4-pyridyl)porphyrin","CrystEngComm","2010","12","1","52","","10.1039/b914799c","","","0.71073","MoKα","","0.1322","0.0657","","","0.1693","0.1866","","","","","","0.903","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211796","20.8956","0.0007","13.6507","0.0005","14.6756","0.0007","90","","106.202","0.0013","90","","4019.8","0.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 N8 Zn -","- C40 H24 N8 Zn -","- C160 H96 N32 Zn4 -","4","0.5","","Lipstman, Sophia; Goldberg, Israel","New cyclic tetrameric and square-grid polymeric modes of supramolecular self-assembly of zinc tetra(4-pyridyl)porphyrin","CrystEngComm","2010","12","1","52","","10.1039/b914799c","","","0.71073","MoKα","","0.1269","0.0749","","","0.1935","0.2076","","","","","","1.043","","","","has coordinates,has disorder","180448","2020-10-21","18:00:00",""
"7211797","18.21","0.004","7.692","0.002","4.6608","0.0007","90","","90","","90","","652.8","0.2","185","2","185","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Methanol chloroform clathrate (1:1)","Methanol chloroform clathrate (1:1)","","- C2 H5 Cl3 O -","- C2 H5 Cl3 O -","- C8 H20 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","","0.71073","Mo-Kα","","0.066","0.0461","","","0.1173","0.1309","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211798","9.9104","0.0013","9.6599","0.0014","10.1505","0.0015","90","","106.05","0.02","90","","933.9","0.2","178","1","178","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cyclopentanone chloroform clathrate (1:1)","cyclopentanone chloroform clathrate (1:1)","","- C6 H9 Cl3 O -","- C6 H9 Cl3 O -","- C24 H36 Cl12 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","x-ray","0.71073","MoKα","K-L~3~","0.0458","0.0352","","","0.0925","0.0994","","","","","","1.032","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211799","6.044","0.0012","9.0987","0.0018","9.5963","0.0019","98.82","0.03","100.43","0.03","97.22","0.03","506.44","0.19","180","2","180","2","","","","","","","","4","P -1","-P 1","2","cyclohexanone chloroform clathrate (1:1)","cyclohexanone chloroform clathrate (1:1)","","- C7 H11 Cl3 O -","- C7 H11 Cl3 O -","- C14 H22 Cl6 O2 -","2","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","","0.71073","Mo-Kα","","0.0346","0.03","","","0.0778","0.0816","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211800","8.284","0.0007","8.67","0.0009","12.829","0.0015","90","","107.1","0.03","90","","880.7","0.2","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","dimethylformamide chloroform clathrate (1:1)","dimethylformamide chloroform clathrate (1:1)","","- C4 H8 Cl3 N O -","- C4 H8 Cl3 N O -","- C16 H32 Cl12 N4 O4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","","0.71073","Mo-Kα","","0.0537","0.0498","","","0.1326","0.1356","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211801","7.1434","0.0009","10.4147","0.0015","13.2477","0.0018","90","","90","","90","","985.6","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diethylamine chloroform clathrate (1:1)","diethylamine chloroform clathrate (1:1)","","- C5 H12 Cl3 N -","- C5 H12 Cl3 N -","- C20 H48 Cl12 N4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","x-ray","0.71073","MoKα","K-L~3~","0.0422","0.0365","","","0.0933","0.0991","","","","","","1.016","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211802","7.4422","0.0006","9.4578","0.0007","5.8025","0.0004","90","","90","","90","","408.42","0.05","120","2","120","2","","","","","","","","3","P n m a","-P 2ac 2n","62","trichloromethane","trichloromethane","","- C H Cl3 -","- C H Cl3 -","- C4 H4 Cl12 -","4","0.5","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","x-ray","0.71073","MoKα","K-L~3~","0.0188","0.0172","","","0.0483","0.0494","","","","","","1.043","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211803","19.71","0.009","3.7857","0.0016","11.663","0.005","90","","103.23","0.002","90","","847.2","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Br Cu2 N5 -","- C6 H4 Br Cu2 N5 -","- C24 H16 Br4 Cu8 N20 -","4","1","","Wang, Fei; Zhang, Jian; Yu, Rongmin; Chen, Shu-Mei; Wu, Xiao-Yuan; Chen, Shan-Ci; Xie, Yi-Ming; Zhou, Wei-Wei; Lu, Can-Zhong","Topological derivation from centrosymmetry to noncentrosymmetry in a three-dimensional polar framework material","CrystEngComm","2010","12","3","671","","10.1039/b915001c","","","0.71073","MoKα","","0.0287","0.0264","","","0.0683","0.0692","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211804","8.7366","0.001","14.4942","0.0016","16.4072","0.0018","104.605","0.002","94.579","0.002","101.574","0.002","1950.9","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid, 4,4'- bipyridine","2,4,6-trimethylbenzene-1,3,5-tricarboxylic acid, 4,4'-bipyridine","","- C44 H40 N4 O12 -","- C44 H40 N4 O12 -","- C88 H80 N8 O24 -","2","1","","Saha, Binoy K.; Bhattacharya, Suman","Hydrogen-bond networks in the binary complexes of trigonal molecules with 4,4′-bipyridine","CrystEngComm","2010","12","8","2369","","10.1039/b915005f","","","0.71073","MoKα","","0.0848","0.0594","","","0.1516","0.168","","","","","","1.013","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211805","9.534","0.002","10.294","0.003","15.627","0.005","74.53","0.005","81.411","0.005","64.073","0.004","1328.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,4,6-tris(4-hydroxyphenoxy)-1,3,5-triazine, 4,4'-bipyridine","2,4,6-tris(4-hydroxyphenoxy)-1,3,5-triazine, 4,4'-bipyridine","","- C31 H23 N5 O6 -","- C31 H23 N5 O6 -","- C62 H46 N10 O12 -","2","1","","Saha, Binoy K.; Bhattacharya, Suman","Hydrogen-bond networks in the binary complexes of trigonal molecules with 4,4′-bipyridine","CrystEngComm","2010","12","8","2369","","10.1039/b915005f","","","0.71073","MoKα","","0.0923","0.0529","","","0.1186","0.1362","","","","","","0.999","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211806","16.2107","0.0004","14.9781","0.0004","7.9573","0.0002","90","","92.069","0.001","90","","1930.82","0.09","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Ag Cl N2 O11 Tb -","- C14 H13 Ag Cl N2 O11 Tb -","- C56 H52 Ag4 Cl4 N8 O44 Tb4 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0215","0.0189","","","0.0475","0.049","","","","","","1.012","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211807","16.2107","0.0004","14.9781","0.0004","7.9573","0.0002","90","","92.069","0.001","90","","1930.82","0.09","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Ag Cl Ho N2 O11 -","- C14 H13 Ag Cl Ho N2 O11 -","- C56 H52 Ag4 Cl4 Ho4 N8 O44 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0313","0.0235","","","0.049","0.0521","","","","","","1.011","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211808","8.3112","0.0004","9.9605","0.0004","16.4964","0.0007","90.699","0.002","103.392","0.002","110.548","0.002","1237.41","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 Ag4 Cl2 N6 O27 Tb2 -","- C38 H30 Ag4 Cl2 N6 O27 Tb2 -","- C38 H30 Ag4 Cl2 N6 O27 Tb2 -","1","0.5","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0652","0.0631","","","0.188","0.1889","","","","","","1.163","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211809","21.728","0.002","9.3675","0.001","17.4117","0.0018","90","","109.202","0.002","90","","3346.8","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag Ce N2 O9 -","- C14 H10 Ag Ce N2 O9 -","- C112 H80 Ag8 Ce8 N16 O72 -","8","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0685","0.0448","","","0.0943","0.1048","","","","","","1.062","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211810","22.0591","0.0002","9.2269","0.0001","17.1097","0.0003","90","","108.214","0.001","90","","3307.97","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag N2 O9 Sm -","- C14 H10 Ag N2 O9 Sm -","- C112 H80 Ag8 N16 O72 Sm8 -","8","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.038","0.0258","","","0.0528","0.0575","","","","","","1.032","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211811","7.6815","0.0001","18.9433","0.0004","12.1566","0.0002","90","","106.929","0.001","90","","1692.29","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Ag La N2 O9 -","- C15 H12 Ag La N2 O9 -","- C60 H48 Ag4 La4 N8 O36 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0392","0.0324","","","0.0711","0.074","","","","","","1.119","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211812","7.5983","0.0001","18.8221","0.0002","12.1","0.0002","90","","106.648","0.001","90","","1657.96","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Ag N2 Nd O9 -","- C15 H12 Ag N2 Nd O9 -","- C60 H48 Ag4 N8 Nd4 O36 -","4","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0261","0.0217","","","0.0465","0.0483","","","","","","1.058","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211813","14.367","0.0006","15.0764","0.0006","17.3874","0.0006","85.911","0.002","83.182","0.003","84.224","0.003","3713.8","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H56 Ag4 Cl2 La3 N8 O37.5 -","- C54 H56.01 Ag4 Cl2 La3 N8 O37.505 -","- C108 H112.02 Ag8 Cl4 La6 N16 O75.01 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0907","0.0494","","","0.1024","0.1159","","","","","","0.974","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211814","14.0535","0.0004","14.8033","0.0004","17.3184","0.0004","86.265","0.002","84.502","0.002","84.233","0.002","3562.55","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52.25 Ag4 Cl2 N8 O35.63 Sm3 -","- C54 H52.254 Ag4 Cl2 N8 O35.627 Sm3 -","- C108 H104.508 Ag8 Cl4 N16 O71.254 Sm6 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.098","0.0586","","","0.1311","0.146","","","","","","0.972","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211815","8.0578","0.0002","10.6254","0.0002","17.1987","0.0003","82.343","0.001","78.997","0.001","71.053","0.001","1363.09","0.05","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","- C39 H44 Ag3 Cl2 Eu2 N6 O31 -","1","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.03","0.0259","","","0.051","0.0527","","","","","","0.977","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211816","14.388","0.0002","15.0923","0.0002","17.3671","0.0002","86.038","0.001","83.144","0.001","84.315","0.001","3719.58","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H56 Ag4 Cl2 Lu3 N8 O37 -","- C54 H56 Ag4 Cl2 Lu3 N8 O37 -","- C108 H112 Ag8 Cl4 Lu6 N16 O74 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.1124","0.0796","","","0.2356","0.2603","","","","","","1.097","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211817","8.3624","0.0005","16.903","0.001","17.3261","0.001","93.234","0.004","97.017","0.004","100.01","0.004","2386.1","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H34 Ag3 Cl Eu2 N7 O26 -","- C37 H34 Ag3 Cl Eu2 N7 O26 -","- C74 H68 Ag6 Cl2 Eu4 N14 O52 -","2","1","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.1267","0.1008","","","0.2539","0.2664","","","","","","1.131","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211818","5.8629","0.0002","8.488","0.0003","8.874","0.0003","108.55","0.002","103.457","0.002","102.463","0.002","386.53","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Ag N2 O8 -","- C12 H17 Ag N2 O8 -","- C12 H17 Ag N2 O8 -","1","0.5","","Qiu, Yongcai; Liu, Zhihui; Mou, Jixia; Deng, Hong; Zeller, Matthias","Rationally designed and controlled syntheses of different series of 4d‒4f heterometallic coordination frameworks based on lanthanide carboxylate and Ag(IN)2 substructures","CrystEngComm","2010","12","1","277","","10.1039/b915025k","","","0.71073","MoKα","","0.0209","0.0199","","","0.0516","0.0523","","","","","","1.049","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211819","11.676","0.005","14.352","0.005","16.06","0.005","69.709","0.005","72.71","0.005","86.738","0.005","2407","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 Ce4 N4 O85 W12 -","- C14 H17 Ce2 N2 O42 W6 -","- C28 H34 Ce4 N4 O84 W12 -","2","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1054","0.0869","","","0.1815","0.1897","","","","","","1.158","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211820","11.616","0.005","14.3","0.005","15.954","0.005","69.947","0.005","72.674","0.005","86.799","0.005","2373.3","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 N2 Nd2 O44 W6 -","- C14 H16 N2 Nd2 O44 W6 -","- C28 H32 N4 Nd4 O88 W12 -","2","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1086","0.0848","","","0.1695","0.1777","","","","","","1.153","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211821","23.426","0.005","20.471","0.005","29.406","0.005","90","0.005","90","0.005","90","0.005","14102","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 Nd3 O72 W12 -","- C21 H29 N3 Nd3 O72 W12 -","- C168 H232 N24 Nd24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0647","0.0435","","","0.0992","0.1057","","","","","","1.049","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211822","23.44","0.005","20.489","0.005","29.486","0.005","90","0.005","90","0.005","90","0.005","14161","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 N3 O72 Pr3 W12 -","- C21 H29 N3 O72 Pr3 W12 -","- C168 H232 N24 O576 Pr24 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1019","0.0506","","","0.0945","0.1122","","","","","","1.012","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211823","23.472","0.005","20.489","0.005","29.669","0.005","90","0.005","90","0.005","90","0.005","14268","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 Ce3 N3 O72 W12 -","- C21 H29 Ce3 N3 O72 W12 -","- C168 H232 Ce24 N24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0881","0.048","","","0.1039","0.1239","","","","","","1.041","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211824","23.556","0.005","20.499","0.005","29.823","0.005","90","0.005","90","0.005","90","0.005","14401","5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H29 La3 N3 O72 W12 -","- C21 H29 La3 N3 O72 W12 -","- C168 H232 La24 N24 O576 W96 -","8","1","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.0768","0.0559","","","0.1354","0.1495","","","","","","1.068","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211825","11.726","0.005","14.404","0.005","16.156","0.005","69.428","0.005","72.781","0.005","86.709","0.005","2436.9","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 La4 N4 O84 W12 -","- C28 H38 La4 N4 O84 W12 -","- C28 H38 La4 N4 O84 W12 -","1","0.5","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1331","0.0933","","","0.1868","0.204","","","","","","1.122","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211826","11.615","0.005","14.312","0.005","16.048","0.005","69.908","0.005","72.805","0.005","86.786","0.005","2390.3","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 Cl2 N4 O85 Pr4 W12 -","- C28 H32 Cl2 N4 O85 Pr4 W12 -","- C28 H32 Cl2 N4 O85 Pr4 W12 -","1","0.5","","Hu, Mi-Xia; Chen, Ya-Guang; Zhang, Chun-Jing; Kong, Qing-Jiao","High-dimensional frameworks dependent on coordination mode of ligand controlled by acidity of reaction solution. Syntheses, structures, magnetic and fluorescence properties of eight new compounds","CrystEngComm","2010","12","5","1454","","10.1039/b915118d","","","0.71069","MoKα","","0.1203","0.0813","","","0.1538","0.1717","","","","","","1.06","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211827","6.77","0.0003","11.7365","0.0005","30.6874","0.0012","90","","90","","90","","2438.3","0.18","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 B F4 N4 O4 -","- C23 H25 B F4 N4 O4 -","- C92 H100 B4 F16 N16 O16 -","4","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.1038","0.0628","","","0.1682","0.2012","","","","","","1.043","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211828","9.4742","0.0009","10.6945","0.0014","21.747","0.002","90","","90.662","0.005","90","","2203.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N3 O10 -","- C20 H17 Cl2 N3 O10 -","- C80 H68 Cl8 N12 O40 -","4","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.1233","0.0836","","","0.2197","0.2478","","","","","","1.043","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211829","14.6536","0.0008","22.5764","0.0012","5.3987","0.0003","90","","90","","90","","1786.03","0.17","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.0917","0.06","","","0.147","0.1687","","","","","","1.1","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211830","33.2881","0.0008","33.2881","0.0008","9.8459","0.0003","90","","90","","120","","9448.5","0.4","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H22 Cl N3 O6 -","- C20 H22 Cl N3 O6 -","- C360 H396 Cl18 N54 O108 -","18","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.0873","0.065","","","0.2177","0.2491","","","","","","1.162","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211831","10.2608","0.0008","11.4119","0.0008","13.314","0.002","110.27","0.007","107.369","0.007","100.928","0.005","1318.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H61 N5 Ni2 O24 -","- C39 H61 N5 Ni2 O24 -","- C39 H61 N5 Ni2 O24 -","1","0.5","","Meng, Qing-Guo; Yan, Si-Tang; Kong, Guo-Qiang; Yang, Xiu-Li; Wu, Chuan-De","Formation of a 2D supramolecular water framework via metal‒organic unit templating","CrystEngComm","2010","12","3","688","","10.1039/b915253a","","","0.71073","MoKα","","0.0966","0.0481","","","0.1047","0.1199","","","","","","1.017","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211832","9.8087","0.0014","11.592","0.002","14.463","0.002","90","","103.865","0.012","90","","1596.6","0.4","150","2","150","2","","","","","","","diffusion of ether in mother liquor","6","C 1 2/c 1","-C 2yc","15","Co(II)(dipic)(H2O)(dmso)2","Cobalt(II) dipicolinate water solvate dimethylsulfoxide bis-solvate","","- C11 H17 Co N O7 S2 -","- C11 H17 Co N O7 S2 -","- C44 H68 Co4 N4 O28 S8 -","4","0.5","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0291","0.0257","","0.0671","0.064","","","","1.083","1.099","1.099","","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211833","11.294","0.002","10.135","0.002","15.52","0.003","90","","98.32","0.03","90","","1757.8","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(II)(dipic)(bipy)](MeOH)(H2O)","","","- C18 H17 Co N3 O6 -","- C17.5 H11 Co N3 O5.5 -","- C70 H44 Co4 N12 O22 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.6861","synchrotron","","0.0834","0.0734","","","0.192","0.197","","","","","","1.17","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7211834","10.5281","0.0009","20.152","0.002","7.3501","0.0006","90","","107.539","0.001","90","","1486.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(II) dipic 0.5(4,4-bipy) 2(H2O)] 2(H2O)","","","- C12 H15 Co N2 O8 -","- C12 H15 Co N2 O8 -","- C48 H60 Co4 N8 O32 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0319","0.0268","","","0.0692","0.0715","","","","","","1.045","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211835","25.23","0.002","10.547","0.0009","10.9426","0.0009","90","","109.021","0.001","90","","2752.8","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Co(II)(H2O)(dipic)(4,4'-bipy)](H2O)","","","- C24 H28 Co2 N4 O15 -","- C24 H26 Co2 N4 O15 -","- C96 H104 Co8 N16 O60 -","4","0.5","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0355","0.0313","","","0.0766","0.079","","","","","","1.052","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211836","11.3573","0.0007","10.245","0.0007","15.6754","0.0013","90","","99.498","0.002","90","","1798.9","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[dipicolinate Co(II) 4,4-bipy)] hydrated","Co(II) dipicolinate 4,4-bipyridyl complex tris hydrated","","- C17 H17 Co N3 O7 -","- C17 H11 Co N3 O7 -","- C68 H44 Co4 N12 O28 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.148","0.0834","","","0.181","0.204","","","","","","1.18","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211837","11.445","0.005","16.353","0.007","10.25","0.004","90","","90.065","0.005","90","","1918.4","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Co(II)(dipic)(4,4-bipy)]2(H2O)0.5(dmso)","","","- C18 H18 Co N3 O6.5 S0.5 -","- C18 H11 Co N3 O6.5 S0.5 -","- C72 H44 Co4 N12 O26 S2 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0879","0.0611","","","0.147","0.161","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7211838","8.5299","0.0005","18.6015","0.0011","16.0248","0.001","90","","94.641","0.002","90","","2534.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[1.5(4,4-bipy)Ni(picolinate)].DMSO.MeOH","","","- C25 H24 N4 Ni O6 S -","- C24.8 H20.4 N4 Ni O5.9 S -","- C99.2 H81.6 N16 Ni4 O23.6 S4 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.71073","MoKα","","0.0465","0.0401","","","0.1023","0.1047","","","","","","1.141","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7211839","13.1967","0.0007","15.847","0.0008","10.6187","0.0005","90","","100.31","0.002","90","","2184.81","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ni(II)(dipic)(diazobpe)](H2O)(diazobpe)0.5","","","- C22 H17 N7 Ni O5 -","- C22 H17 N7 Ni O5 -","- C88 H68 N28 Ni4 O20 -","4","1","","Felloni, Marina; Blake, Alexander J.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Transition metal dipicolinates as designer T-shaped building blocks","CrystEngComm","2010","12","5","1576","","10.1039/b915440j","","","0.69","synchrotron","","0.062","0.0417","","","0.0904","0.0978","","","","","","1.045","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211840","18.892","0.006","8.215","0.003","14.4","0.004","90","","90","","90","","2234.8","1.2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H8 I N O2 -","- C12 H8 I N O2 -","- C96 H64 I8 N8 O16 -","8","0.5","","Labat, Gaël; Behrnd, Norwid-Rasmus; Couderc, Gaëtan; Bonin, Michel; Tsuwi, Julius; Batagiannis, Athanasios; Berger, Ricarda; Bertoni, Mariana; Prodi-Schwab, Anna; Hulliger, Jürg","Polymorphism, polar morphology and absolute structure determination of 4-iodo-4′-nitrobiphenyl (INBP)","CrystEngComm","2010","12","4","1252","","10.1039/b915469h","","","0.71073","MoKα","","0.0715","0.0305","","","0.0548","0.0641","","","","","","0.897","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211841","10.405","0.003","14.441","0.005","8.194","0.002","90","","112.074","0.018","90","","1141","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H8 I N O2 -","- C12 H8 I N O2 -","- C48 H32 I4 N4 O8 -","4","1","","Labat, Gaël; Behrnd, Norwid-Rasmus; Couderc, Gaëtan; Bonin, Michel; Tsuwi, Julius; Batagiannis, Athanasios; Berger, Ricarda; Bertoni, Mariana; Prodi-Schwab, Anna; Hulliger, Jürg","Polymorphism, polar morphology and absolute structure determination of 4-iodo-4′-nitrobiphenyl (INBP)","CrystEngComm","2010","12","4","1252","","10.1039/b915469h","","","0.71073","MoKα","","0.0535","0.0281","","","0.0511","0.0576","","","","","","1.022","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211842","8.43","0.0017","8.751","0.0018","11.484","0.002","73.65","0.03","83.56","0.03","78.56","0.03","795.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N10 O8 Zn -","- C32 H30 N10 O8 Zn -","- C32 H30 N10 O8 Zn -","1","0.5","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0563","0.0451","","","0.0905","0.0959","","","","","","1.03","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211843","8.485","0.0017","9.878","0.002","11.724","0.002","89.78","0.03","84.81","0.03","69.71","0.03","917.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 N5 O4 Zn -","- C20 H13 N5 O4 Zn -","- C40 H26 N10 O8 Zn2 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0646","0.0488","","","0.1128","0.1197","","","","","","1.028","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211844","7.269","0.0015","11.546","0.002","21.291","0.004","90","","90.82","0.03","90","","1786.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N5 O4 Zn -","- C20 H13 N5 O4 Zn -","- C80 H52 N20 O16 Zn4 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.061","0.0501","","","0.1045","0.1095","","","","","","1.004","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211845","8.854","0.0018","9.706","0.0019","11.506","0.002","72.85","0.03","78.23","0.03","77","0.03","910.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N10 O9 Zn -","- C32 H32 N10 O9 Zn -","- C32 H32 N10 O9 Zn -","1","0.5","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0664","0.0554","","","0.1391","0.1447","","","","","","1.005","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211846","8.046","0.0016","9.589","0.0019","19.618","0.004","85.37","0.03","87.38","0.03","70.57","0.03","1422.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N5 O12 Zn2 -","- C28 H25 N5 O12 Zn2 -","- C56 H50 N10 O24 Zn4 -","2","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0553","0.0443","","","0.122","0.1278","","","","","","1.052","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211847","12.683","0.003","11.98","0.002","13.597","0.003","90","","97.7","0.03","90","","2047.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N5 O5 Zn -","- C20 H15 N5 O5 Zn -","- C80 H60 N20 O20 Zn4 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.0535","0.0401","","","0.0895","0.0951","","","","","","1.041","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211848","7.269","0.0015","16.82","0.003","22.264","0.005","90","","98.04","0.03","90","","2695.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 N5 O8 Zn2 -","- C28 H17 N5 O8 Zn2 -","- C112 H68 N20 O32 Zn8 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.1101","0.0758","","","0.1173","0.1284","","","","","","1.052","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211849","17.498","0.004","10.193","0.002","23.34","0.005","90","","90.47","0.03","90","","4162.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N10 O10 Zn2 -","- C42 H34 N10 O10 Zn2 -","- C168 H136 N40 O40 Zn8 -","4","1","","Huang, Fu-Ping; Tian, Jin-Lei; Chen, Gong-Jun; Li, Dong-Dong; Gu, Wen; Liu, Xin; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","A case study of the ZnII-BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2010","12","4","1269","","10.1039/b915506f","","","0.71073","MoKα","","0.1342","0.0916","","","0.1458","0.1623","","","","","","1.031","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211850","11.2784","0.0013","22.6","0.003","22.521","0.005","104.626","0.014","100.215","0.014","96.241","0.009","5394.9","1.6","90","2","90","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C160 H128 N32 Ni8 O76.53 V24 -","- C160 H128 N32 Ni8 O76.539 V24 -","- C160 H128 N32 Ni8 O76.539 V24 -","1","1","","Fernández de Luis, Roberto; Urtiaga, Miren Karmele; Mesa, José Luis; Aguayo, Andrés Tomás; Rojo, Teófilo; Arriortua, María Isabel","Four nodal self-catenated [{Ni8(Bpy)16}V24O68]·8.5(H2O), combining three dimensional metal‒organic and inorganic frameworks","CrystEngComm","2010","12","6","1880","","10.1039/b915539b","","x-ray","1.5418","CuKα","","0.0727","0.054","","","0.1314","0.1454","","","","","","1.026","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211851","21.5","0.017","27.568","0.017","7.428","0.005","90","","90","","90","","4403","5","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C9 H10 Br Cu N4 -","- C9 H10.5 Br Cu N4 -","- C144 H168 Br16 Cu16 N64 -","16","","","Jin, Chuan-Ming; Zhu, Zhu; Yao, Ming-Xia; Meng, Xiang-Gao","In situ reduction from CuX2 (X = Br, Cl) to Cu(I) halide clusters based on ligand bis(2-methylimidazo-1-yl)methane","CrystEngComm","2010","12","2","358","","10.1039/b915584h","","","0.71073","MoKα","","0.1361","0.0917","","","0.2555","0.2718","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211852","12.9571","0.0002","12.9571","0.0002","30.97","0.0007","90","","90","","90","","5199.44","0.16","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C9 H12 Cl2 Cu2 N4 -","- C9 H12 Cl2 Cu2 N4 -","- C144 H192 Cl32 Cu32 N64 -","16","0.5","","Jin, Chuan-Ming; Zhu, Zhu; Yao, Ming-Xia; Meng, Xiang-Gao","In situ reduction from CuX2 (X = Br, Cl) to Cu(I) halide clusters based on ligand bis(2-methylimidazo-1-yl)methane","CrystEngComm","2010","12","2","358","","10.1039/b915584h","","","0.71073","MoKα","","0.0672","0.0589","","","0.1892","0.2025","","","","","","1.03","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211853","3.8822","0.0008","8.09","0.0017","10.318","0.002","96.751","0.004","91.577","0.004","93.729","0.004","320.93","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H3 Cl Cu2 N2 S -","- C4 H3 Cl Cu2 N2 S -","- C8 H6 Cl2 Cu4 N4 S2 -","2","1","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0713","0.0527","","","0.139","0.1475","","","","","","1.081","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211854","10.764","0.003","7.732","0.002","16.538","0.004","90","","101.929","0.005","90","","1346.7","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cu3 N5 S3 -","- C9 H6 Cu3 N5 S3 -","- C36 H24 Cu12 N20 S12 -","4","1","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0654","0.0494","","","0.1022","0.1104","","","","","","1.083","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211855","10.4687","0.0016","7.7318","0.0012","15.289","0.002","90","","95.702","0.003","90","","1231.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cu3 I N4 S2 -","- C8 H6 Cu3 I N4 S2 -","- C32 H24 Cu12 I4 N16 S8 -","4","1","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0833","0.0572","","","0.101","0.1147","","","","","","1.123","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211856","17.3499","0.0012","15.464","0.001","13.2336","0.0009","90","","90","","90","","3550.6","0.4","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Cu11 I7 N8 S4 -","- C16 H12 Cu11 I7 N8 S4 -","- C64 H48 Cu44 I28 N32 S16 -","4","0.5","","Hao, Zheng-Ming; Wang, Jun; Zhang, Xian-Ming","Red phosphorescent cuprous halide/pseudohalide coordination polymers with pyrimidine-2-thionates as Co-ligands","CrystEngComm","2010","12","4","1103","","10.1039/b915615a","","","0.71073","MoKα","","0.0714","0.0597","","","0.1599","0.1816","","","","","","1.141","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211857","26.3998","0.0015","11.3528","0.0006","22.2355","0.0012","90","","90","","90","","6664.2","0.6","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H68 Fe N18 O36 -","- C50 H44 Fe N18 O36 -","- C200 H176 Fe4 N72 O144 -","4","0.25","","Abouelwafa, Ahmed S.; Mereacre, Valeriu; Balaban, Teodor S.; Anson, Christopher E.; Powell, Annie K.","Photo- and thermally-enhanced charge separation in supramolecular viologen‒hexacyanoferrate complexes","CrystEngComm","2010","12","1","94","","10.1039/b915642a","","","0.71073","MoKα","","0.0819","0.0721","","","0.1928","0.2023","","","","","","0.991","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211858","26.442","0.003","11.3715","0.0012","22.311","0.002","90","","90","","90","","6708.6","1.2","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C50 H68 Fe N18 O36 -","- C50 H44 Fe N18 O36 -","- C200 H176 Fe4 N72 O144 -","4","0.25","","Abouelwafa, Ahmed S.; Mereacre, Valeriu; Balaban, Teodor S.; Anson, Christopher E.; Powell, Annie K.","Photo- and thermally-enhanced charge separation in supramolecular viologen‒hexacyanoferrate complexes","CrystEngComm","2010","12","1","94","","10.1039/b915642a","","","0.71073","MoKα","","0.0829","0.0692","","","0.1904","0.2028","","","","","","1.041","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211859","16.6339","0.0002","17.8896","0.0004","23.0113","0.0005","99.969","0.001","102.875","0.001","112.505","0.001","5907.8","0.2","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C57.5 H64.25 F12 N9.25 O0.25 P2 Ru -","- C57.5 H64.25 F12 N9.25 O0.25 P2 Ru -","- C230 H257 F48 N37 O P8 Ru4 -","4","2","","Kuhnt, Christian; Karnahl, Michael; Tschierlei, Stefanie; Griebenow, Kristin; Schmitt, Michael; Schäfer, Bernhard; Krieck, Sven; Görls, Helmar; Rau, Sven; Dietzek, Benjamin; Popp, Jürgen","Substitution-controlled ultrafast excited-state processes in Ru-dppz-derivatives.","Physical chemistry chemical physics : PCCP","2010","12","6","1357","1368","10.1039/b915770k","","","0.71073","MoKα","","0.1382","0.077","","","0.1741","0.2103","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211860","20.3711","0.0005","20.3711","0.0005","13.7711","0.0008","90","","90","","90","","5714.8","0.4","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C17 H11 Br Cu6 N12 O6 -","- C17 H11 Br Cu6 N12 O6 -","- C136 H88 Br8 Cu48 N96 O48 -","8","0.5","","Zhang, Zhi-Ling; Shen, Gui-Lan; Cheng, Ying; Ding, You-Bang; Yin, Ye-Gao; Li, Dan","Isomorphic polysupramolecules assembled from mixed valent Cu-triazolate sheets, benzene-1,3,5-tricarboxylates and halides","CrystEngComm","2010","12","4","1171","","10.1039/b915850b","","","0.71073","MoKα","","0.0542","0.0366","","","0.0963","0.1206","","","","","","1.138","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211861","20.321","0.002","20.321","","13.699","0.001","90","","90","","90","","5656.9","0.7","293","2","293","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H11 Cl Cu6 N12 O6 -","- C17 H11 Cl Cu6 N12 O6 -","- C136 H88 Cl8 Cu48 N96 O48 -","8","0.5","","Zhang, Zhi-Ling; Shen, Gui-Lan; Cheng, Ying; Ding, You-Bang; Yin, Ye-Gao; Li, Dan","Isomorphic polysupramolecules assembled from mixed valent Cu-triazolate sheets, benzene-1,3,5-tricarboxylates and halides","CrystEngComm","2010","12","4","1171","","10.1039/b915850b","","","0.71073","MoKα","","0.1112","0.06","","","0.1533","0.1954","","","","","","1.096","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211862","7.378","0.003","11.238","0.005","11.373","0.005","90.253","0.006","94.771","0.006","105.027","0.005","907.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O6 Zn -","- C20 H20 N2 O6 Zn -","- C40 H40 N4 O12 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.1053","0.1002","","","0.3411","0.3431","","","","","","1.053","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211863","6.2047","0.0007","17.746","0.002","20.4535","0.0019","90","","99.009","0.003","90","","2224.3","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 O7 Zn -","- C22 H24 N2 O7 Zn -","- C88 H96 N8 O28 Zn4 -","4","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.1048","0.046","","","0.0925","0.1225","","","","","","1.074","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211864","8.3194","0.0011","11.3886","0.0015","11.444","0.003","109.818","0.003","92.908","0.003","111.323","0.002","931.3","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O6 Zn -","- C20 H20 N2 O6 Zn -","- C40 H40 N4 O12 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.0628","0.0451","","","0.1274","0.1443","","","","","","1.094","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211865","6.8963","0.0008","9.4798","0.0012","16.697","0.002","90.66","0.002","101.526","0.002","91.251","0.002","1069.2","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N2 O6 Zn -","- C22 H24 N2 O6 Zn -","- C44 H48 N4 O12 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.0786","0.0625","","","0.1825","0.1919","","","","","","1.055","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211866","9.562","0.004","10.592","0.002","10.94","0.002","115.892","0.004","105.631","0.005","95.654","0.005","929.6","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N2 O5 Zn -","- C21 H20 N2 O5 Zn -","- C42 H40 N4 O10 Zn2 -","2","1","","Yang, Guo-Ping; Wang, Yao-Yu; Zhang, Wei-Hong; Fu, Ai-Yun; Liu, Rui-Ting; Lermontova, Elmira Kh.; Shi, Qi-Zhen","A series of Zn(ii) coordination complexes derived from isomeric phenylenediacetic acid and dipyridyl ligands: syntheses, crystal structures, and characterizations","CrystEngComm","2010","12","5","1509","","10.1039/b915889h","","","0.71073","MoKα","","0.1103","0.0673","","","0.1481","0.1567","","","","","","1.064","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211867","6.724","0.0009","11.8927","0.0019","16.302","0.003","90","","94.894","0.01","90","","1298.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H17 Mg O12 -","- C5 H17 Mg O12 -","- C20 H68 Mg4 O48 -","4","1","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Lin, Chia-Her; Zima, Vítězslav","Direct-mixing assembly of a magnesium coordination complex as recyclable water adsorbent,","CrystEngComm","2010","12","4","1044","","10.1039/b915987h","","","0.71073","MoKα","","0.1568","0.0633","","","0.136","0.1784","","","","","","0.965","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211868","9.3927","0.0007","10.1933","0.0006","11.1398","0.0007","87.557","0.004","77.136","0.003","69.927","0.004","975.96","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H24 Mg2 O19 -","- C10 H24 Mg2 O19 -","- C20 H48 Mg4 O38 -","2","1","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Lin, Chia-Her; Zima, Vítězslav","Direct-mixing assembly of a magnesium coordination complex as recyclable water adsorbent,","CrystEngComm","2010","12","4","1044","","10.1039/b915987h","","","0.71073","MoKα","","0.0962","0.047","","","0.1037","0.1228","","","","","","1","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211869","19.5036","0.0018","5.9798","0.0005","20.4223","0.0018","90","","110.868","0.001","90","","2225.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 O8.5 Tb -","- C9 H9 O8.5 Tb -","- C72 H72 O68 Tb8 -","8","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0261","0.0227","","","0.0513","0.053","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211870","19.694","0.003","6.0192","0.0009","20.467","0.003","90","","110.995","0.002","90","","2265.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H9 O8.5 Sm -","- C9 H9 O8.5 Sm -","- C72 H72 O68 Sm8 -","8","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0207","0.0185","","","0.0442","0.0452","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211871","11.673","0.002","5.9691","0.0012","18.456","0.004","90","","97.65","0.03","90","","1274.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 Eu O9 -","- C10 H9 Eu O9 -","- C40 H36 Eu4 O36 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0568","0.0482","","","0.0884","0.0904","","","","","","1.361","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211872","11.703","0.002","5.9725","0.0012","18.446","0.004","90","","97.62","0.03","90","","1277.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 O9 Sm -","- C10 H11 O9 Sm -","- C40 H44 O36 Sm4 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0534","0.0421","","","0.1086","0.1131","","","","","","1.217","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211873","11.542","0.002","13.199","0.003","13.687","0.003","115.5","0.03","91.29","0.03","115.05","0.03","1650.6","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 O21 Pr3 -","- C28 H23 O21 Pr3 -","- C56 H46 O42 Pr6 -","2","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0383","0.0303","","","0.0629","0.0657","","","","","","1.102","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211874","13.362","0.003","5.9634","0.0013","15.641","0.003","90","","93.626","0.003","90","","1243.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Eu O8 -","- C11 H12 Eu O8 -","- C44 H48 Eu4 O32 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0543","0.0355","","","0.0639","0.0698","","","","","","0.972","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211875","13.354","0.009","5.977","0.004","15.64","0.01","90","","93.532","0.009","90","","1246","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O8 Sm -","- C11 H12 O8 Sm -","- C44 H48 O32 Sm4 -","4","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0784","0.0586","","","0.1403","0.149","","","","","","1.067","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211876","6.2994","0.0013","8.9181","0.0018","12.448","0.003","77.22","0.03","78.95","0.03","71","0.03","639.4","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H24 O16 Pr2 -","- C22 H24 O16 Pr2 -","- C22 H24 O16 Pr2 -","1","1","","Wang, Zhuo; Xing, Yong-Heng; Wang, Chun-Guang; Sun, Li-Xian; Zhang, Jian; Ge, Mao-Fa; Niu, Shu-Yun","Synthesis, structure and luminescent properties of coordination polymers with 1,2-benzenedicarboxylic acid and a series of flexible dicarboxylate ligands","CrystEngComm","2010","12","3","762","","10.1039/b916127a","","","0.71073","MoKα","","0.0229","0.0226","","","0.0577","0.058","","","","","","1.061","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211877","9.1071","0.0009","9.3366","0.0008","18.0884","0.0018","81.534","0.006","76.253","0.004","67.954","0.005","1381.9","0.2","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H26 Cl2 Cr Na O12 S24 -","- C37 H26 Cl2 Cr Na O12 S24 -","- C37 H26 Cl2 Cr Na O12 S24 -","1","1","","Martin, Lee; Day, Peter; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki; Horton, Peter","A molecular charge transfer salt of BEDT-TTF containing a single enantiomer of tris(oxalato)chromate(III) crystallised from a chiral solvent","CrystEngComm","2010","12","5","1369","","10.1039/b916136h","","","0.71073","MoKα","","0.1426","0.1096","","","0.2306","0.2538","","","","","","1.109","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211878","12.6078","0.0006","17.3931","0.0008","26.3525","0.0013","91.431","0.002","94.915","0.002","92.928","0.002","5747.5","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H120 Cr8 Na18 O120 S72 -","- C138 H120 Cr8 Na18 O120 S72 -","- C138 H120 Cr8 Na18 O120 S72 -","1","0.5","","Martin, Lee; Day, Peter; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki; Horton, Peter","A molecular charge transfer salt of BEDT-TTF containing a single enantiomer of tris(oxalato)chromate(III) crystallised from a chiral solvent","CrystEngComm","2010","12","5","1369","","10.1039/b916136h","","","0.71073","MoKα","","0.1848","0.0827","","","0.1769","0.2192","","","","","","1.023","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211879","5.1889","0.0016","6.1177","0.0019","16.787","0.005","90","","97.195","0.012","90","","528.7","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Caesium nonafluorobutylsulfonate","","- C4 Cs F9 O3 S -","- C4 Cs F9 O3 S -","- C8 Cs2 F18 O6 S2 -","2","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0276","0.0249","","","0.0589","0.0601","","","","","","1.067","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211880","5.0606","0.0009","5.553","0.001","16.997","0.003","83.233","0.004","86.532","0.004","87.185","0.004","473.02","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Potasium Nonafluorobutylsulfonate","","- C4 F9 K O3 S -","- C4 F9 K O3 S -","- C8 F18 K2 O6 S2 -","2","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0406","0.03","","","0.0702","0.0751","","","","","","1.063","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211881","9.493","0.002","8.5886","0.0015","30.962","0.005","90","","95.036","0.019","90","","2514.6","0.8","173","2","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Potasium nonafluorobutylsulfonate acetonitril solvate","","- C6 H3 F9 K N O3 S -","- C6 H3 F9 K N O3 S -","- C48 H24 F72 K8 N8 O24 S8 -","8","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0553","0.0437","","","0.1379","0.1489","","","","","","1.032","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211882","12.323","0.005","5.58","0.005","17.527","0.005","90","0.005","97.885","0.005","90","0.005","1193.8","1.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Lithium nonafluorobtylsulfonate","","- C6 H4 F9 Li O4 S -","- C6 H4 F9 Li O4 S -","- C24 H16 F36 Li4 O16 S4 -","4","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71069","MoKα","","0.0354","0.0273","","","0.0723","0.078","","","","","","1.038","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211883","17.165","0.005","5.634","0.005","11.085","0.005","90","0.005","100.122","0.005","90","0.005","1055.3","1.1","173","","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Sodium Nonafluorobutylsulfonate hydrate","Sodium Nonafluorobutylsulfonate hydrate","","- C4 H2 F9 Na O4 S -","- C4 H2 F9 Na O4 S -","- C16 H8 F36 Na4 O16 S4 -","4","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.1689","0.0846","","","0.2173","0.2639","","","","","","0.976","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211884","5.0346","0.0018","5.8254","0.0019","33.361","0.016","90","","93.21","0.03","90","","976.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rubidium nonafluorobutylsulfonate","","- C4 F9 O3 Rb S -","- C4 F9 O3 Rb S -","- C16 F36 O12 Rb4 S4 -","4","1","","Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut","Synthesis, crystal and molecular structure of alkali metal nonaflates","CrystEngComm","2010","12","3","795","","10.1039/b916157k","","","0.71073","MoKα","","0.0889","0.0704","","","0.182","0.1893","","","","","","1.18","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211885","13.819","0.003","15.382","0.003","24.383","0.005","100.41","0.03","95.25","0.03","101.09","0.03","4959","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 Mn4 N4 O20 -","- C68 H53 Mn4 N4 O20 -","- C136 H106 Mn8 N8 O40 -","2","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Li, Jing; Xu, Qiang","Metal‒organic frameworks of manganese(ii) 4,4′-biphenyldicarboxylates: crystal structures, hydrogen adsorption, and magnetism properties","CrystEngComm","2010","12","3","677","","10.1039/b916168f","","","0.71073","MoKα","","0.1071","0.0808","","","0.2439","0.2782","","","","","","1.04","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211886","13.958","0.003","18.507","0.004","12.351","0.003","90","","113.79","0.03","90","","2919.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Mn3 N4 O16 -","- C58 H60 Mn3 N4 O16 -","- C116 H120 Mn6 N8 O32 -","2","0.5","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Li, Jing; Xu, Qiang","Metal‒organic frameworks of manganese(ii) 4,4′-biphenyldicarboxylates: crystal structures, hydrogen adsorption, and magnetism properties","CrystEngComm","2010","12","3","677","","10.1039/b916168f","","","0.71073","MoKα","","0.0937","0.0843","","","0.1956","0.2003","","","","","","1.206","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211887","13.819","0.003","15.382","0.003","24.383","0.005","100.41","0.03","95.25","0.03","101.09","0.03","4959","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H53 Mn4 N3 O19 -","- C65 H53 Mn4 N3 O19 -","- C130 H106 Mn8 N6 O38 -","2","1","","Zhong, Rui-Qin; Zou, Ru-Qiang; Du, Miao; Yamada, Tetsuya; Maruta, Goro; Takeda, Sadamu; Li, Jing; Xu, Qiang","Metal‒organic frameworks of manganese(ii) 4,4′-biphenyldicarboxylates: crystal structures, hydrogen adsorption, and magnetism properties","CrystEngComm","2010","12","3","677","","10.1039/b916168f","","","0.71073","MoKα","","0.0817","0.0635","","","0.1788","0.198","","","","","","0.981","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211889","10.488","0.004","10.212","0.004","11.273","0.004","90","","92.89","0.008","90","","1205.8","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H5 Cd2 N9 S2 -","- C5 H5 Cd2 N9 S2 -","- C20 H20 Cd8 N36 S8 -","4","0.5","","Cheng, Jian-Kai; Zhang, Jian; Yin, Pei-Xiu; Lin, Qi-Pu; Li, Zhao-Ji; Yao, Yuan-Gen","Capturing in situ generated NHCH‒NNH molecule via the templating synthesis of a 4-connected open Cd(ii) framework","CrystEngComm","2010","12","4","1024","","10.1039/b916206b","","","0.71073","MoKα","","","0.0268","","","0.0601","0.0617","","","","","","1.081","","","","has coordinates,has disorder","180449","2020-10-21","18:00:00",""
"7211890","7.8282","0.0013","16.447","0.003","16.779","0.003","90","","95.137","0.003","90","","2151.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 O7 Zn -","- C23 H20 N4 O7 Zn -","- C92 H80 N16 O28 Zn4 -","4","1","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.0858","0.052","","","0.0972","0.1053","","","","","","1.004","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211891","10.666","0.002","16.748","0.003","14.201","0.003","90","","95.299","0.004","90","","2525.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N6 O10 Zn2 -","- C24 H21 N6 O10 Zn2 -","- C96 H84 N24 O40 Zn8 -","4","1","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.0754","0.0538","","","0.1541","0.1613","","","","","","1.037","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211892","9.1215","0.0014","20.539","0.003","13.621","0.002","90","","100.457","0.003","90","","2509.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 N8 O18 Zn3 -","- C54 H46 N8 O18 Zn3 -","- C108 H92 N16 O36 Zn6 -","2","0.5","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.1074","0.0591","","","0.0941","0.1031","","","","","","1.008","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211893","9.0505","0.0011","20.457","0.002","13.5723","0.0016","90","","101.21","0.002","90","","2464.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 N8 Ni3 O17 -","- C54 H44 N8 Ni3 O17 -","- C108 H88 N16 Ni6 O34 -","2","0.5","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.0889","0.0598","","","0.1298","0.1418","","","","","","1","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211894","8.9636","0.001","20.589","0.002","13.5194","0.0015","90","","99.469","0.002","90","","2461","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Cu3 N8 O15 -","- C54 H38 Cu3 N8 O15 -","- C108 H76 Cu6 N16 O30 -","2","0.5","","Xu, Jiao; Pan, Zhaorui; Wang, Tianwei; Li, Yizhi; Guo, Zijian; Batten, Stuart R.; Zheng, Hegen","Syntheses, structures, photoluminescence and magnetic properties of five compounds with 1,3,5-benzenetricarboxylate acid and imidazole ligands","CrystEngComm","2010","12","2","612","","10.1039/b916222d","","","0.71073","MoKα","","0.1193","0.0624","","","0.083","0.0938","","","","","","0.95","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211895","9.8707","0.0004","12.7458","0.0007","21.8848","0.0012","88.967","0.002","85.654","0.0018","80.553","0.0019","2708.1","0.2","100.1","","100.1","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H46 O12 Rb2 S8 -","- C52 H46 O12 Rb2 S8 -","- C104 H92 O24 Rb4 S16 -","2","1","","Yamada, Manabu; Shimakawa, Yoshifumi; Kondo, Yoshihiko; Hamada, Fumio","Thiacalix[4]arene‒rubidium assembly: supramolecular architecture based on alkali metal coordination and cation‒π interactions","CrystEngComm","2010","12","4","1311","","10.1039/b916317d","","","0.71075","MoKα","","","0.0281","","","","0.0975","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211896","5.9003","0.0005","9.5998","0.001","19.1346","0.0015","90","","90","","90","","1083.82","0.17","150","2","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","di(4-aminophenyl)methane","di(4-aminophenyl)methane","","- C13 H14 N2 -","- C13 H14 N2 -","- C52 H56 N8 -","4","1","","Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David","A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline.","Physical chemistry chemical physics : PCCP","2010","12","15","3824","3833","10.1039/b916368a","","x-ray","0.71073","MoKα","","0.1137","0.0586","","","0.0975","0.1099","","","","","","1.055","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211897","6.0828","0.0009","4.5346","0.0009","24.586","0.005","90","","90.694","0.012","90","","678.1","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 2/n 1","-P 2yac","13","","","","- C13 H16 Cl2 N2 -","- C13 H16 Cl2 N2 -","- C26 H32 Cl4 N4 -","2","0.5","","Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David","A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline.","Physical chemistry chemical physics : PCCP","2010","12","15","3824","3833","10.1039/b916368a","","x-ray","0.71073","MoKα","","0.1247","0.0708","","","0.1199","0.1355","","","","","","1.085","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211898","25.6208","0.0005","5.7067","0.0002","13.7826","0.0005","90","","118.962","0.001","90","","1763.14","0.1","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","Compound X","","","- C39 H46 Cl2 N6 O -","- C39 H46 Cl2 N6 O -","- C78 H92 Cl4 N12 O2 -","2","0.5","","Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David","A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline.","Physical chemistry chemical physics : PCCP","2010","12","15","3824","3833","10.1039/b916368a","","","0.71073","MoKα","","0.0415","0.037","","","0.0815","0.0831","","","","","","1.031","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211899","8.46","0.004","9.438","0.004","13.305","0.005","82.811","0.017","78.712","0.013","89.077","0.017","1033.6","0.8","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H46 N8 O6 S8 Zn2 -","- C30 H46 N8 O6 S8 Zn2 -","- C30 H46 N8 O6 S8 Zn2 -","1","0.5","","Poplaukhin, Pavel; Tiekink, Edward R. T.","Interwoven coordination polymers sustained by tautomeric forms of the bridging ligand","CrystEngComm","2010","12","4","1302","","10.1039/b916585a","","","0.7107","MoKα","","0.071","0.057","","","0.123","0.131","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211900","9.7471","0.0014","16.151","0.002","13.21","0.002","90","","94.743","0.002","90","","2072.5","0.5","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 N8 O6 S8 Zn2 -","- C30 H46 N8 O6 S8 Zn2 -","- C60 H92 N16 O12 S16 Zn4 -","2","0.5","","Poplaukhin, Pavel; Tiekink, Edward R. T.","Interwoven coordination polymers sustained by tautomeric forms of the bridging ligand","CrystEngComm","2010","12","4","1302","","10.1039/b916585a","","","0.7107","MoKα","","0.048","0.046","","","0.117","0.12","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211901","16.28","0.011","11.924","0.008","18.04","0.012","90","","103.862","0.008","90","","3400","4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H64 Mn3 Mo12 N8 O69 P8 -","- C8 H40 Mn3 Mo12 N8 O69 P8 -","- C16 H80 Mn6 Mo24 N16 O138 P16 -","2","0.5","","Hao, Zhaomin; Dong, Qingsong; Zhang, Ling; Zhang, Yi; Luo, Fang","Two organic‒inorganic hybrid frameworks with helical structures and large cavities constructed from poly(oxomolybdophosphates)","CrystEngComm","2010","12","3","977","","10.1039/b916687d","","","0.71073","MoKα","","0.0566","0.0387","","","0.0994","0.1085","","","","","","1.048","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211902","14.9478","0.0009","25.2004","0.0015","26.7202","0.0013","90","","108.671","0.003","90","","9535.5","0.9","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H83 Mn2 Mo12 N14 Na3 O69.5 P8 -","- C35 H56 Mn2 Mo12 N14 Na3 O69.4 P8 -","- C140 H224 Mn8 Mo48 N56 Na12 O277.6 P32 -","4","1","","Hao, Zhaomin; Dong, Qingsong; Zhang, Ling; Zhang, Yi; Luo, Fang","Two organic‒inorganic hybrid frameworks with helical structures and large cavities constructed from poly(oxomolybdophosphates)","CrystEngComm","2010","12","3","977","","10.1039/b916687d","","","0.71073","MoKα","","0.0784","0.0513","","","0.1332","0.1499","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211903","14.957","0.003","16.879","0.003","9.0167","0.0018","90","","115.94","0.03","90","","2047","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H46 N8 O36 V10 -","- C12 H24 N8 O36 V10 -","- C24 H48 N16 O72 V20 -","2","0.25","","Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao","Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates","CrystEngComm","2010","12","1","242","","10.1039/b916793p","","","0.71073","MoKα","","0.0396","0.0351","","","0.1039","0.1068","","","","","","1.084","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211904","12.6031","0.0009","12.6031","0.0009","22.563","0.003","90","","90","","120","","3103.7","0.5","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C18 H66 Cl N12 Ni2 O38 V15 -","- C18 H60 Cl N12 Ni2 O38 V15 -","- C36 H120 Cl2 N24 Ni4 O76 V30 -","2","0.166667","","Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao","Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates","CrystEngComm","2010","12","1","242","","10.1039/b916793p","","","0.71073","MoKα","","0.0706","0.0678","","","0.2038","0.207","","","","","","1.075","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211905","12.12","0.0017","12.12","0.0017","22.053","0.004","90","","90","","120","","2805.5","0.8","293","2","293","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C12 H54 Cl Co2 N12 O38 V15 -","- C12 Cl Co2 N12 O38 V15 -","- C24 Cl2 Co4 N24 O76 V30 -","2","0.0833333","","Yi, Zhihui; Yu, Xiaoyang; Xia, Wujiong; Zhao, Liyan; Yang, Chao; Chen, Qian; Wang, XiaoLin; Xu, Xianzhu; Zhang, Xiao","Influence of the steric hindrance of organic amines on the supramolecular network based on polyoxovanadates","CrystEngComm","2010","12","1","242","","10.1039/b916793p","","","0.71073","MoKα","","0.0877","0.0788","","","0.23","0.2403","","","","","","1.055","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211906","13.0632","0.0002","17.6269","0.0003","16.0409","0.0002","90","","96.061","0.002","90","","3672.99","0.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Ag F3 N2 O4 P2 S -","- C39 H34 Ag F3 N2 O4 P2 S -","- C156 H136 Ag4 F12 N8 O16 P8 S4 -","4","1","","Wang, Xiaobing; Feng, Jingzhi; Huang, Jing; Zhang, Jianyong; Pan, Mei; Su, Cheng-Yong","A 2D Ag(I) layered coordination polymer based on pyridyl diphosphine: structure and selective sorption properties via weak C‒H⋯F/O interactions","CrystEngComm","2010","12","3","725","","10.1039/b916921k","","","1.54178","CuKα","","0.0982","0.067","","","0.1679","0.18","","","","","","1.081","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211907","14.7024","0.001","17.0783","0.0012","13.9048","0.0015","90","","117.472","0.001","90","","3097.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cadmium imidazolate","","","- C12 H15 Cd1.5 N6 -","- C12 H11 Cd1.5 N6 -","- C96 H88 Cd12 N48 -","8","1","","Yao, Shi-Yan; Tian, Yun-Qi","An exceptional self-penetrating 4-connected network derived from a (3,4)-connected net of tfa-c topology","CrystEngComm","2010","12","3","697","","10.1039/b916978d","","","0.71073","MoKα","","0.0326","0.0289","","","0.0744","0.0766","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211908","8.2087","0.0007","14.9912","0.0013","21.9789","0.0019","90","","94.702","0.001","90","","2695.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N3 O9 Zn2 -","- C31 H18 N3 O8.5 Zn2 -","- C124 H72 N12 O34 Zn8 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0461","0.0355","","","0.0959","0.102","","","","","","1.068","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211909","9.0122","0.0009","17.3729","0.0018","15.2421","0.0015","90","","98.684","0.001","90","","2359.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N2 O9 Zn -","- C26 H18 N2 O9 Zn -","- C104 H72 N8 O36 Zn4 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0789","0.046","","","0.0955","0.1103","","","","","","1.015","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211910","8.7902","0.0015","11.461","0.0019","12.866","0.002","85.175","0.002","72.094","0.002","69.382","0.002","1154","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H34 N4 O18 Zn3 -","- C52 H30 N4 O17 Zn3 -","- C52 H30 N4 O17 Zn3 -","1","0.5","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0797","0.0507","","","0.109","0.1262","","","","","","1.044","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211911","14.4039","0.0014","14.2659","0.0013","16.5825","0.0016","90","","111.712","0.001","90","","3165.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N4 O9 Zn2 -","- C36 H24 N4 O9 Zn2 -","- C144 H96 N16 O36 Zn8 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0511","0.0338","","","0.0782","0.0869","","","","","","1.031","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211912","9.2298","0.0007","15.2279","0.0011","23.9952","0.0017","90","","94.94","0.001","90","","3360","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cd2 N4 O10 -","- C36 H24 Cd2 N4 O9.5 -","- C144 H96 Cd8 N16 O38 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0527","0.0378","","","0.0852","0.0929","","","","","","1.049","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211913","8.8527","0.0009","13.6187","0.0014","19.956","0.002","90","","101.433","0.001","90","","2358.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 N2 O9 Zn2 -","- C28 H16 N2 O9 Zn2 -","- C112 H64 N8 O36 Zn8 -","4","1","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.04","0.0294","","","0.0715","0.0777","","","","","","1.012","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211914","9.0444","0.0017","16.46","0.003","12.074","0.002","90","","93.437","0.003","90","","1794.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Co5 O24 -","- C32 H26 Co5 O24 -","- C64 H52 Co10 O48 -","2","0.5","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0901","0.0524","","","0.099","0.117","","","","","","1.038","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211915","8.6129","0.001","19.542","0.002","11.4698","0.0013","90","","90.564","0.001","90","","1930.4","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Co5 O28 -","- C32 H34 Co5 O28 -","- C64 H68 Co10 O56 -","2","0.5","","Jia, Juan; Shao, Min; Jia, Tiantian; Zhu, Shourong; Zhao, Yongmei; Xing, Feifei; Li, Mingxing","Coordination polymers of biphenyl-2,4,2′,4′-tetracarboxylic acid—synthesis, structures and adsorption properties","CrystEngComm","2010","12","5","1548","","10.1039/b916984a","","","0.71073","MoKα","","0.0512","0.0366","","","0.062","0.0659","","","","","","0.905","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211920","16.0828","0.0009","6.8716","0.0003","24.8286","0.0014","90","","121.643","0.004","90","","2336","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H48 N10 O13 -","- C45 H48 N10 O13 -","- C90 H96 N20 O26 -","2","0.5","","Goswami, Shyamaprosad; Hazra, Anita; Jana, Subrata; Fun, Hoong-Kun","Recognition study of substituted benzoic acids by 7-substituted pterin receptors in solution and solid phases","CrystEngComm","2010","12","5","1501","","10.1039/b917092h","","","0.71073","MoKα","","0.1181","0.0875","","","0.2372","0.2599","","","","","","1.051","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211921","6.9162","0.0003","22.0035","0.0009","14.3569","0.0005","90","","90.319","0.002","90","","2184.81","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N5 O7 -","- C21 H25 N5 O7 -","- C84 H100 N20 O28 -","4","1","","Goswami, Shyamaprosad; Hazra, Anita; Jana, Subrata; Fun, Hoong-Kun","Recognition study of substituted benzoic acids by 7-substituted pterin receptors in solution and solid phases","CrystEngComm","2010","12","5","1501","","10.1039/b917092h","","","0.71073","MoKα","","0.1143","0.0823","","","0.2113","0.2302","","","","","","1.063","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211922","8.4059","0.0003","11.7146","0.0004","11.8703","0.0004","92.873","0.002","92.647","0.002","104.299","0.002","1129.18","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N6 O8 -","- C21 H24 N6 O8 -","- C42 H48 N12 O16 -","2","1","","Goswami, Shyamaprosad; Hazra, Anita; Jana, Subrata; Fun, Hoong-Kun","Recognition study of substituted benzoic acids by 7-substituted pterin receptors in solution and solid phases","CrystEngComm","2010","12","5","1501","","10.1039/b917092h","","","0.71073","MoKα","","0.0509","0.0397","","","0.1068","0.1195","","","","","","1.058","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211923","5.1868","0.0003","11.4095","0.0006","12.8769","0.0007","86.36","0.001","89.309","0.001","77.171","0.001","741.52","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H21 Cl2 N O Pd S2 -","- C8 H21 Cl2 N O Pd S2 -","- C16 H42 Cl4 N2 O2 Pd2 S4 -","2","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0229","0.0211","","","0.0497","0.0505","","","","","","1.046","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211924","31.9875","0.0016","8.9087","0.0004","14.1037","0.0007","90","","97.911","0.001","90","","3980.8","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H30 Cl2 N O1.5 Pd S2 -","- C12 H30 Cl2 N O1.5 Pd S2 -","- C96 H240 Cl16 N8 O12 Pd8 S16 -","8","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0354","0.0305","","","0.0752","0.0776","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211925","34.835","0.003","5.1827","0.0005","25.391","0.002","90","","107.19","0.002","90","","4379.3","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H35 Cl2 N O2 Pd S2 -","- C16 H31 Cl2 N O2 Pd S2 -","- C128 H248 Cl16 N8 O16 Pd8 S16 -","8","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0692","0.0556","","","0.1195","0.1252","","","","","","1.144","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211926","5.4127","0.0004","13.6387","0.001","15.2316","0.0012","67.588","0.001","85.211","0.002","80.964","0.002","1026.25","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H31 Br2 N O2 Pd S2 -","- C12 H31 Br2 N O2 Pd S2 -","- C24 H62 Br4 N2 O4 Pd2 S4 -","2","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.0481","0.0426","","","0.1129","0.1163","","","","","","1.052","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211927","5.7601","0.0004","11.4786","0.0007","15.2346","0.001","70.574","0.001","85.423","0.001","77.631","0.001","927.85","0.11","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H27 Cl N2 O3 Pd S2 -","- C12 H27 Cl N2 O3 Pd S2 -","- C24 H54 Cl2 N4 O6 Pd2 S4 -","2","1","","Bai, Shi-Qiang; Quek, Gabriel Y. H.; Koh, Lip Lin; Andy Hor, T. S.","Crystallographic analysis of different water‒halide cluster blends in cationic [(SNS)PdII] pincer complexes","CrystEngComm","2010","12","1","226","","10.1039/b917189b","","","0.71073","MoKα","","0.062","0.0513","","","0.1097","0.1141","","","","","","1.143","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211928","8.7148","0.0003","11.4826","0.0003","16.9691","0.0005","81.721","0.002","81.814","0.002","77.987","0.002","1632.45","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Suberic acid & imidazole","Suberic acid & imidazole","","- C30 H50 N4 O12 -","- C30 H50 N4 O12 -","- C60 H100 N8 O24 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0908","0.0523","","","0.1232","0.1421","","","","","","1.032","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211929","8.1285","0.0006","9.1297","0.0007","13.7387","0.0011","89.781","0.004","89.17","0.004","79.782","0.005","1003.28","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Glutaric Acid and 1-Methylimidazole","Glutaric Acid and 1-Methylimidazole","","- C18 H28 N4 O8 -","- C18 H28 N4 O8 -","- C36 H56 N8 O16 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1001","0.07","","","0.1521","0.1682","","","","","","0.985","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211930","3.9015","0.0002","17.3293","0.001","13.8628","0.0007","90","","96.299","0.003","90","","931.61","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Succinic acid & 4-methylimidazole","Succinic acid & 4-methylimidazole","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0744","0.049","","","0.1057","0.1169","","","","","","1.022","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211931","5.38","0.0003","8.1542","0.0006","12.6592","0.001","78.35","0.004","82.962","0.004","84.496","0.004","538.37","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Glutaric acid & 2-methylimidazole","Glutaric acid & 2-methylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C18 H28 N4 O8 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1262","0.0851","","","0.138","0.1543","","","","","","1.06","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211932","4.8629","0.0003","7.9978","0.0005","16.5263","0.0011","96.951","0.001","94.475","0.001","107.384","0.001","604.44","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Adipic Acid and 2-Methylimidazole","Adipic Acid and 2-Methylimidazole","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C20 H36 N4 O10 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.671","synchrotron","","0.0578","0.052","","","0.145","0.1518","","","","","","1.047","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211933","8.1472","0.0007","6.4965","0.0005","9.0107","0.0005","90","","97.401","0.004","90","","472.95","0.06","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Succinic Acid and 2-Methylimidazole","Succinic Acid and 2-Methylimidazole","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C16 H24 N4 O8 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0687","0.048","","","0.099","0.1076","","","","","","1.092","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211934","8.0829","0.0005","6.2852","0.0004","9.0979","0.0006","90","","97.551","0.004","90","","458.19","0.05","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","fumaric acid & 2-methylimidazole","fumaric acid & 2-methylimidazole","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C16 H20 N4 O8 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1049","0.0689","","","0.1392","0.1575","","","","","","1.069","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211935","7.3683","0.0004","9.0497","0.0003","10.7486","0.0005","76.546","0.003","80.396","0.002","76.933","0.003","674.05","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Suberic acid & 2-methylimidazole","Suberic acid & 2-methylimidazole","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C24 H40 N4 O8 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1074","0.0574","","","0.1098","0.1281","","","","","","1.035","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211936","7.648","0.0007","11.673","0.0009","11.204","0.0011","90","","93.547","0.004","90","","998.32","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Fumaric acid and 1,2-dimethylimidazole","Fumaric acid and 1,2-dimethylimidazole","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1343","0.0845","","","0.1424","0.1631","","","","","","1.142","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211937","8.8691","0.0007","13.2988","0.0017","12.125","0.0014","90","","109.5","0.007","90","","1348.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Suberic acid & 4-methylimidazole","Suberic acid & 4-methylimidazole","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.154","0.0933","","","0.1154","0.1316","","","","","","1.111","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211938","7.536","0.0004","14.218","0.0008","9.716","0.0006","90","","96.571","0.003","90","","1034.2","0.1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Glutaric Acid & 4-Methylimidazole","Glutaric Acid & 4-Methylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C36 H56 N8 O16 -","4","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.098","0.0559","","","0.0977","0.1108","","","","","","1.038","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211939","20.5769","0.0012","7.3521","0.0004","14.0383","0.0008","90","","90","","90","","2123.8","0.2","120","2","120","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Succinic acid & 1,2-dimethylimidazole","Succinic acid & 1,2-dimethylimidazole","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C72 H112 N16 O32 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1161","0.0685","","","0.1383","0.1561","","","","","","1.107","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211940","10.4056","0.0016","22.888","0.004","4.6392","0.0009","90","","90","","90","","1104.9","0.3","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Glutaric acid & 1,2-dimethylimidazole","Glutaric acid & 1,2-dimethylimidazole","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1159","0.0748","","","0.1862","0.2082","","","","","","1.081","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211941","6.4624","0.0004","18.8186","0.001","7.1493","0.0005","90","","98.878","0.004","90","","859.03","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Methyloxalate & 1-methylimidazolium","Methyloxalate & 1-methylimidazolium","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1145","0.0609","","","0.1067","0.123","","","","","","1.044","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211942","13.3293","0.0019","13.1137","0.0016","14.023","0.002","90","","90","","90","","2451.2","0.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Oxalic acid & 2-methylimidazole","Oxalic acid & 2-methylimidazole","","- C10 H14 N4 O4 -","- C10 H14 N4 O4 -","- C80 H112 N32 O32 -","8","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1189","0.0906","","","0.1593","0.1693","","","","","","1.244","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211943","9.1937","0.0006","13.5734","0.0006","10.5047","0.0005","90","","99.252","0.004","90","","1293.83","0.12","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Oxalic acid & 4-methylimidazole hydrate","Oxalic acid & 4-methylimidazole hydrate","","- C10 H16 N4 O5 -","- C10 H16 N4 O5 -","- C40 H64 N16 O20 -","4","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0664","0.0485","","","0.1051","0.1131","","","","","","1.072","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211944","6.998","0.0003","8.379","0.0003","9.25","0.0003","116.302","0.002","101.825","0.002","91.149","0.002","472.1","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Malonic acid & imidazole","Malonic acid & imidazole","","- C15 H20 N6 O8 -","- C15 H20 N6 O8 -","- C15 H20 N6 O8 -","1","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0615","0.0433","","","0.0972","0.1081","","","","","","1.022","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211945","11.4966","0.0019","18.702","0.003","3.9535","0.0005","90","","90","","90","","850","0.2","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","Malonic Acid and 2-Methylimidazole","Malonic Acid and 2-Methylimidazole","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.1277","0.0802","","","0.1212","0.1429","","","","","","1.163","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211946","5.5883","0.0002","22.5838","0.0012","7.3581","0.0004","90","","98.578","0.003","90","","918.24","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Maleic Acid & 4-Methylimidazole","Maleic Acid & 4-Methylimidazole","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","A systematic study of the crystallisation products of a series of dicarboxylic acids with imidazole derivatives","CrystEngComm","2010","12","3","898","","10.1039/b917191f","","","0.71073","MoKα","","0.0854","0.0519","","","0.1248","0.1421","","","","","","1.045","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211947","9.6409","0.0003","9.8099","0.0003","12.6275","0.0004","73.631","0.001","70.339","0.001","85.599","0.002","1078.83","0.06","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C24 H19 I2 P -","- C24 H19 I2 P -","- C48 H38 I4 P2 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.111","0.0741","","","0.149","0.1723","","","","","","1.088","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211948","9.9636","0.0009","21.5367","0.0019","9.9994","0.0009","90","","111.504","0.001","90","","1996.3","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 Au Cl P -","- C24 H19 Au Cl P -","- C96 H76 Au4 Cl4 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.6939","synchrotron","","0.0343","0.0315","","","0.0754","0.0771","","","","","","1.027","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211949","9.5352","0.0006","9.8668","0.0006","12.0877","0.0008","73.228","0.004","73.548","0.003","87.343","0.003","1043.5","0.12","233","2","233","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H19 Au Br P -","- C24 H19 Au Br P -","- C48 H38 Au2 Br2 P2 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.0828","0.0626","","","0.146","0.1663","","","","","","1.055","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211950","9.5207","0.0003","9.85","0.0004","12.1301","0.0004","74.346","0.002","74.294","0.002","87.987","0.002","1053.57","0.07","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H19 Au I P -","- C24 H19 Au I P -","- C48 H38 Au2 I2 P2 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.0978","0.0656","","","0.1423","0.1643","","","","","","1.189","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211951","9.1631","0.0003","23.755","0.0009","10.2226","0.0004","90","","108.494","0.002","90","","2110.23","0.14","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Au O P -","- C25 H22 Au O P -","- C100 H88 Au4 O4 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.1815","0.0773","","","0.1485","0.186","","","","","","1.083","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211952","9.0116","0.0001","18.168","0.0003","28.8665","0.0005","90","","90","","90","","4726.1","0.12","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C29 H24 Au O P -","- C29 H24 Au O P -","- C232 H192 Au8 O8 P8 -","8","1","","Barnes, Nicholas A.; Flower, Kevin R.; Fyyaz, Saad A.; Godfrey, Stephen M.; McGown, Alan T.; Miles, Philip J.; Pritchard, Robin G.; Warren, John E.","Can the solid state structures of the dihalogen adducts R3EX2 (E = P, As; R = alkyl, aryl; X = Br, I) with the molecular spoke geometry be considered good mimics of the gold(i) systems [(R3E)AuX] (E = As, P; R = alkyl, aryl; X = Cl, Br, I)?","CrystEngComm","2010","12","3","784","","10.1039/b917245a","","x-ray","0.71073","MoKα","","0.1257","0.0737","","","0.1497","0.1794","","","","","","1.26","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211953","13.2366","0.0013","7.1753","0.0006","12.769","0.0012","90","","117.344","0.002","90","","1077.25","0.17","291","2","291","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H2 Cd3 O10 -","- C8 H2 Cd3 O10 -","- C32 H8 Cd12 O40 -","4","0.5","","Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu","pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies","CrystEngComm","2010","12","1","49","","10.1039/b917258k","","","0.71073","MoKα","","0.0233","0.0221","","","0.0586","0.0593","","","","","","1.063","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211954","6.8958","0.0003","5.8147","0.0003","15.8331","0.0008","90","","90","","90","","634.86","0.05","291","2","291","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H Cd O3 -","- C2 H Cd O3 -","- C16 H8 Cd8 O24 -","8","1","","Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu","pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies","CrystEngComm","2010","12","1","49","","10.1039/b917258k","","","0.71073","MoKα","","0.0251","0.02","","","0.0441","0.0447","","","","","","1.075","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211955","3.5793","0.0003","10.4878","0.0009","8.5834","0.0007","90","","99.551","0.001","90","","317.75","0.05","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 Cd2 O6 -","- C4 H2 Cd2 O6 -","- C8 H4 Cd4 O12 -","2","0.5","","Zheng, Bo; Bai, Junfeng; Zhang, Zhuxiu","pH-Controlled change of the coordination modes of the highly symmetrical multitopic ligand and metal‒oxygen arrays for constructing coordination assemblies","CrystEngComm","2010","12","1","49","","10.1039/b917258k","","","0.71073","MoKα","","0.0299","0.0275","","","0.0546","0.0561","","","","","","0.975","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211956","5.2629","0.0015","5.2629","0.0015","12.987","0.008","90","","90","","90","","359.7","0.3","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Ni Zn -","- C4 N4 Ni Zn -","- C8 N8 Ni2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0904","0.0512","","","0.1238","0.1352","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211957","5.3718","0.0003","5.3718","0.0003","13.4271","0.0017","90","","90","","90","","387.46","0.06","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Pd Zn -","- C4 N4 Pd Zn -","- C8 N8 Pd2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0585","0.0469","","","0.1279","0.134","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211958","5.3592","0.0004","5.3592","0.0004","13.455","0.002","90","","90","","90","","386.44","0.07","291","2","291","2","","","","","","","","4","P 42/m c m","-P 4c 2c","132","","","","- C4 N4 Pt Zn -","- C4 N4 Pt Zn -","- C8 N8 Pt2 Zn2 -","2","0.125","","Yuan, Ai-Hua; Lu, Run-Qin; Zhou, Hu; Chen, Ying-Ying; Li, Yi-Zhi","Three unique two-fold interpenetrated three-dimensional networks with PtS-type topology constructed from [M(CN)4]2− (M = Ni, Pd, Pt) as “square-planar” building blocks","CrystEngComm","2010","12","5","1382","","10.1039/b917262a","","","0.71073","MoKα","","0.0326","0.0264","","","0.0856","0.0916","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211959","17.998","0.016","9.697","0.008","18.903","0.017","90","","97.339","0.018","90","","3272","5","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cu2 N2 O8 -","- C32 H24 Cu2 N2 O8 -","- C128 H96 Cu8 N8 O32 -","4","0.5","","Takamizawa, Satoshi; Akatsuka, Takamasa; Miyake, Ryosuke","Switch of channel geometry by 1D component slide responding to slight structural stimuli of adsorbed guest","CrystEngComm","2010","12","1","82","","10.1039/b917263g","","","0.71073","MoKα","","0.0973","0.0688","","","0.1704","0.1869","","","","","","1.064","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211960","17.757","0.003","9.626","0.0016","10.805","0.0018","90","","95.603","0.004","90","","1838.1","0.5","90","","90","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C38 H36 Cu2 N2 O10 -","- C38 H36 Cu2 N2 O10 -","- C76 H72 Cu4 N4 O20 -","2","0.25","","Takamizawa, Satoshi; Akatsuka, Takamasa; Miyake, Ryosuke","Switch of channel geometry by 1D component slide responding to slight structural stimuli of adsorbed guest","CrystEngComm","2010","12","1","82","","10.1039/b917263g","","","0.71073","MoKα","","0.0834","0.0564","","","0.1282","0.1401","","","","","","1.089","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211961","17.485","0.003","9.6876","0.0019","19.213","0.004","90","","98.432","0.004","90","","3219.3","1.1","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cu2 N2 O8 -","- C32 H24 Cu2 N2 O8 -","- C128 H96 Cu8 N8 O32 -","4","0.5","","Takamizawa, Satoshi; Akatsuka, Takamasa; Miyake, Ryosuke","Switch of channel geometry by 1D component slide responding to slight structural stimuli of adsorbed guest","CrystEngComm","2010","12","1","82","","10.1039/b917263g","","","0.71073","MoKα","","0.0827","0.0589","","","0.1342","0.1462","","","","","","1.034","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211962","9.701","0.002","24.227","0.005","9.861","0.002","90","","111.821","0.004","90","","2151.5","0.8","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd I3 N5 O4 -","- C14 H6 Cd I3 N5 O4 -","- C56 H24 Cd4 I12 N20 O16 -","4","1","","Dai, Fangna; He, Haiyan; Zhao, Xiaoliang; Ke, Yanxiong; Zhang, Guoqing; Sun, Daofeng","1D zigzag chain vs. 1D helical chain: the role of the supramolecular interactions on the formation of chiral architecture","CrystEngComm","2010","12","2","337","","10.1039/b917264p","","","0.71073","MoKα","","0.1435","0.1076","","","0.2895","0.315","","","","","","1.05","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211963","11.3689","0.0003","11.3689","0.0003","16.5658","0.0011","90","","90","","90","","2141.16","0.16","296","2","296","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C14 H12 Cd I3 N3 O5 -","- C14 H12 Cd I3 N3 O5 -","- C56 H48 Cd4 I12 N12 O20 -","4","0.5","","Dai, Fangna; He, Haiyan; Zhao, Xiaoliang; Ke, Yanxiong; Zhang, Guoqing; Sun, Daofeng","1D zigzag chain vs. 1D helical chain: the role of the supramolecular interactions on the formation of chiral architecture","CrystEngComm","2010","12","2","337","","10.1039/b917264p","","","0.71073","MoKα","","0.0518","0.0383","","","0.0986","0.1068","","","","","","1.053","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211964","7.6168","0.0002","15.2552","0.0005","52.3376","0.0016","90","","89.976","0.002","90","","6081.4","0.3","293","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.71073","MoKα","","0.0369","0.0365","","0.0242","0.0241","0.0241","","","","","","1.0526","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211965","7.6837","0.0002","15.5843","0.0006","52.1546","0.0016","90","","89.933","0.002","90","","6245.3","0.3","293","","293","","","","","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.71073","MoKα","","0.0501","0.0455","","0.0417","0.0399","0.0399","","","","","","1.1069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211966","7.3592","0.0007","14.601","0.002","51.188","0.009","90","","89.989","0.01","90","","5500.2","1.3","293","","293","","","","1500000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1132","0.0858","","0.1309","0.0899","0.0899","","","","","","1.0111","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211967","7.2634","0.0003","14.412","0.0011","50.836","0.004","90","","89.966","0.005","90","","5321.5","0.6","293","","293","","","","2200000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1072","0.0839","","0.1341","0.0918","0.0918","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211968","7.1346","0.0006","14.165","0.002","50.433","0.008","90","","89.88","0.009","90","","5096.8","1.2","293","","293","","","","3700000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.1203","0.0839","","0.1336","0.089","0.089","","","","","","1.0078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211969","7.0316","0.0006","14.0254","0.0019","50.157","0.008","90","","89.796","0.009","90","","4946.5","1.1","293","","293","","","","4900000","","","","","4","P 1 n 1","P -2yac","7","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C320 H240 N16 O32 -","16","8","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.0906","0.0767","","0.0901","0.0762","0.0762","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211970","7.701","0.002","12.569","0.006","24.786","0.013","90","","90","","90","","2399.1","1.8","293","","293","","","","5300000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.0735","0.051","","0.1079","0.057","0.057","","","","","","1.0302","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211971","7.6475","0.0007","12.451","0.003","24.651","0.002","90","","90","","90","","2347.2","0.6","293","","293","","","","6000000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4792","synchrotron","","0.0359","0.0277","","0.0277","0.0233","0.0233","","","","","","1.0753","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211972","7.6285","0.0008","12.299","0.003","24.555","0.003","90","","90","","90","","2303.8","0.7","293","","293","","","","6800000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4792","synchrotron","","0.0408","0.0316","","0.0355","0.0276","0.0276","","","","","","1.0841","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211973","19.358","0.005","13.756","0.004","26.012","0.007","90","","99.951","0.004","90","","6822","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","F-MOF 1","","","- C76 H47 Cu F18 N4 O15 -","- C76 H47 Cu F18 N4 O15 -","- C304 H188 Cu4 F72 N16 O60 -","4","1","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.0533","0.0424","","","0.1186","0.1283","","","","","","1.037","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211974","7.7882","0.0011","28.449","0.004","10.7928","0.0015","90","","90.52","0.002","90","","2391.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","F-MOF 2","","","- C27 H18 Cu F6 N2 O5 -","- C27 H18 Cu F6 N2 O5 -","- C108 H72 Cu4 F24 N8 O20 -","4","1","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.0439","0.0348","","","0.0889","0.1007","","","","","","1.045","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211975","51.5","0.014","11.992","0.003","14.114","0.004","90","","90","","90","","8717","4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","F-MOF 3","","","- C92 H58 Cu2 F24 N4 O18 -","- C92 H58 Cu2 F24 N4 O18 -","- C368 H232 Cu8 F96 N16 O72 -","4","0.5","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.0681","0.0552","","","0.1254","0.1308","","","","","","1.151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211976","25.643","0.008","11.004","0.003","24.351","0.007","90","","115.518","0.005","90","","6201","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","F-MOF 4","","","- C59.94 H55.94 Cu2 F12 N5.82 O11 -","- C59.944 H55.944 Cu2 F12 N5.824 O11 -","- C239.776 H223.776 Cu8 F48 N23.296 O44 -","4","1","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.099","0.0557","","","0.1278","0.1439","","","","","","0.986","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211977","16.389","0.007","13.157","0.006","26.553","0.012","90","","90","","90","","5726","4","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","F-MOF 5","","","- C62 H32 Cu2 F12 N5 O10 -","- C62 H32 Cu2 F12 N5 O10 -","- C248 H128 Cu8 F48 N20 O40 -","4","0.5","","Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul","Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)","CrystEngComm","2010","12","5","1600","","10.1039/b917483d","","","0.71073","MoKα","","0.1255","0.0562","","","0.1512","0.1862","","","","","","0.908","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211978","6.1601","0.0005","5.9993","0.0005","11.3396","0.0008","90","","93.849","0.006","90","","418.12","0.06","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N5 -","- C2 H5 N5 -","- C8 H20 N20 -","4","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Paponov, Boris V.; Shishkin, Oleg V.","Analysis of the crystal structure of two polymorphic modifications of 3,4-diamino-1,2,4-triazole based on the energy of the intermolecular interactions","CrystEngComm","2010","12","3","909","","10.1039/b917485k","","","0.71073","MoKα","","0.0359","0.0353","","","0.0895","0.0905","","","","","","1.047","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211979","5.3783","0.0012","11.086","0.003","13.58","0.004","90","","90","","90","","809.7","0.4","164","2","164","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N5 -","- C2 H5 N5 -","- C16 H40 N40 -","8","1","","Konovalova, Irina S.; Shishkina, Svitlana V.; Paponov, Boris V.; Shishkin, Oleg V.","Analysis of the crystal structure of two polymorphic modifications of 3,4-diamino-1,2,4-triazole based on the energy of the intermolecular interactions","CrystEngComm","2010","12","3","909","","10.1039/b917485k","","","0.71073","MoKα","","0.1038","0.0416","","","0.101","0.1096","","","","","","0.91","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211981","9.8585","0.0006","14.0448","0.0008","28.6911","0.0017","90","","99.005","0.001","90","","3923.6","0.4","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cl6 O9 -","- C36 H42 Cl6 O9 -","- C144 H168 Cl24 O36 -","4","1","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.0927","0.0826","","","0.2495","0.2585","","","","","","1.07","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211982","10.0663","0.0011","19.591","0.002","19.371","0.002","90","","98.623","0.001","90","","3777","0.7","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 N3 O15 -","- C40 H43 N3 O15 -","- C160 H172 N12 O60 -","4","1","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.0733","0.0403","","","0.0874","0.101","","","","","","1.008","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211983","31.279","0.003","10.6127","0.001","22.276","0.004","90","","132.356","0.001","90","","5464.4","1.2","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H52 Cl12 O12 -","- C46 H52 Cl12 O12 -","- C184 H208 Cl48 O48 -","4","0.5","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.0607","0.0543","","","0.137","0.1421","","","","","","1.041","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211984","13.052","0.014","14.34","0.015","16.268","0.017","102.717","0.015","91.783","0.013","107.3","0.013","2820","5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H55 Cl3 N6 O24 -","- C55 H55 Cl3 N6 O24 -","- C110 H110 Cl6 N12 O48 -","2","1","","Tominaga, Masahide; Katagiri, Kosuke; Azumaya, Isao","Hydrogen-bonded networks formed from tri- and tetra-substituted adamantanes bearing dimethoxyphenol moieties and their 1,3,5-trinitrobenzene complexes via charge-transfer interactions","CrystEngComm","2010","12","4","1164","","10.1039/b917654c","","","0.71073","MoKα","","0.1627","0.0785","","","0.2009","0.25","","","","","","1.006","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211985","17.0025","0.0014","36.907","0.003","11.2149","0.001","90","","94.907","0.002","90","","7011.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H60 N8 Ni3 O21 -","- C70 H52 N8 Ni3 O21 -","- C280 H208 N32 Ni12 O84 -","4","0.5","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.0663","0.0464","","","0.1252","0.1356","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211986","11.336","0.003","19.518","0.006","27.059","0.008","90","","98.092","0.005","90","","5927","3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C60 H50 N6 Ni3 O20 -","- C60 H48 N6 Ni3 O20 -","- C240 H192 N24 Ni12 O80 -","4","1","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.0904","0.0768","","","0.1986","0.2094","","","","","","1.008","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211987","9.99","0.003","22.497","0.007","14.764","0.005","90","","100.521","0.005","90","","3262.4","1.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H58 N8 Ni3 O20 -","- C70 H58 N8 Ni3 O20 -","- C140 H116 N16 Ni6 O40 -","2","0.5","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.0919","0.0621","","","0.1234","0.1414","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211988","25.342","0.016","8.645","0.005","14.204","0.011","90","","120.412","0.019","90","","2684","3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 O7 -","- C15 H10 O7 -","- C120 H80 O56 -","8","1","","Wang, Hailong; Zhang, Daopeng; Sun, Daofeng; Chen, Yuting; Wang, Kang; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang","Diverse Ni(ii) MOFs constructed from asymmetric semi-rigid V-shaped multicarboxylate ligands: structures and magnetic properties","CrystEngComm","2010","12","4","1096","","10.1039/b917659d","","","0.71073","MoKα","","0.1347","0.0987","","","0.2792","0.3021","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211989","34.511","0.007","15.736","0.002","24.91","0.005","90","","129.759","0.012","90","","10399","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H103 Cd3 Mo12 N15 O72 P8 -","- C20 H77 Cd3 Mo12 N15 O72 P8 -","- C80 H308 Cd12 Mo48 N60 O288 P32 -","4","0.5","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.111","0.0679","","","0.1728","0.1904","","","","","","0.944","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211990","13.2845","0.0007","22.1336","0.0011","16.6627","0.0006","90","","127.371","0.003","90","","3893.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H90 Cd Mo12 N12 O70 P8 -","- C16 H68 Cd Mo12 N12 O70 P8 -","- C32 H136 Cd2 Mo24 N24 O140 P16 -","2","0.5","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.0247","0.0218","","","0.0545","0.0556","","","","","","1.099","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211991","12.428","0.003","12.595","0.003","13.069","0.003","85.49","0.03","73.43","0.03","82.21","0.03","1940.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H45 Mo6 N6 Na O35 P4 -","- C8 H34 Mo6 N6 Na O35 P4 -","- C16 H68 Mo12 N12 Na2 O70 P8 -","2","1","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.0379","0.0299","","","0.0789","0.0903","","","","","","1.108","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211992","11.908","0.002","13.465","0.003","14.403","0.003","71.82","0.03","89.23","0.03","69.29","0.03","2040.1","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H90 Cd3 Mo12 N12 O72 P8 -","- C16 H34 Cd3 Mo12 N12 O72 P8 -","- C16 H34 Cd3 Mo12 N12 O72 P8 -","1","0.5","","Zhang, Xiao; Yi, Zhihui; Zhao, Liyan; Chen, Qian; Wang, Xiaolin; Xu, Jiqing; Xia, Wujiong; Yang, Chao","pH-dependent assembly of a series of inorganic‒organic hybrid molybdenum(v) phosphate","CrystEngComm","2010","12","2","595","","10.1039/b917754j","","","0.71073","MoKα","","0.0354","0.0331","","","0.084","0.0858","","","","","","1.069","","","","has coordinates,has disorder","180450","2020-10-21","18:00:00",""
"7211993","8.941","0.0005","8.941","0.0004","10.026","0.0004","90","0.001","90","0.001","120","0.005","694.11","0.07","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 La N3 O7 -","- C4 H2 La N3 O7 -","- C12 H6 La3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0269","0.0264","","","0.0802","0.0806","","","","","","1.055","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211994","8.888","0.005","8.888","0.008","9.973","0.006","90","0.005","90","0.005","120","0.005","682.3","0.8","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Ce N3 O7 -","- C4 H2 Ce N3 O7 -","- C12 H6 Ce3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0226","0.0224","","","0.0657","0.0658","","","","","","1.071","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211995","8.841","0.004","8.841","0.004","9.922","0.005","90","0.005","90","0.005","120","0.005","671.6","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 O7 Pr -","- C4 H2 N3 O7 Pr -","- C12 H6 N9 O21 Pr3 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0258","0.0255","","","0.0775","0.0776","","","","","","1.041","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211996","8.805","0.0009","8.805","0.0009","9.883","0.001","90","0.0012","90","0.001","120","0.01","663.56","0.13","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 Nd O7 -","- C4 H6 N3 Nd O7 -","- C12 H18 N9 Nd3 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0224","0.022","","","0.0596","0.0598","","","","","","1.049","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211997","8.712","0.004","8.712","0.004","9.818","0.005","90","0.005","90","0.005","120","0.005","645.3","0.5","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 N3 O7 Sm -","- C4 H2 N3 O7 Sm -","- C12 H6 N9 O21 Sm3 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0229","0.0224","","","0.0607","0.0609","","","","","","1.011","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211998","8.674","0.005","8.674","0.005","9.796","0.006","90","0.007","90","0.007","120","0.006","638.3","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Eu N3 O7 -","- C4 H6 Eu N3 O7 -","- C12 H18 Eu3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0269","0.0264","","","0.0717","0.0719","","","","","","1.052","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7211999","8.639","0.007","8.639","0.005","9.772","0.006","90","0.005","90","0.005","120","0.005","631.6","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C4 H6 Gd N3 O7 -","- C4 H6 Gd N3 O7 -","- C12 H18 Gd3 N9 O21 -","3","0.5","","Yuan, Gang; Shao, Kui-Zhan; Wang, Xin-Long; Lan, Ya-Qian; Du, Dong-Ying; Su, Zhong-Min","A series of novel chiral lanthanide coordination polymers with channels constructed from 16Ln-based cage-like building units","CrystEngComm","2010","12","4","1147","","10.1039/b917779e","","","0.71069","MoKα","","0.0289","0.0284","","","0.0852","0.0856","","","","","","1.061","","","","has coordinates","180450","2020-10-21","18:00:00",""
"7212000","6.998","0.004","7.923","0.005","8.61","0.005","87.064","0.008","70.43","0.008","70.354","0.007","422.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 N4 O3 Pb -","- C6 H6 N4 O3 Pb -","- C12 H12 N8 O6 Pb2 -","2","1","","Sadeghzadeh, Homa; Morsali, Ali","Hedge balls nano-structure of a mixed-ligand lead(II) coordination polymer; thermal, structural and X-ray powder diffraction studies","CrystEngComm","2010","12","2","370","","10.1039/b917819h","","","0.71073","MoKα","","0.0939","0.0808","","","0.2037","0.2133","","","","","","1.072","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212001","10.167","0.003","9.038","0.003","8.93","0.003","90","","100.572","0.005","90","","806.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(2-ethanolammonium)tetraiodoplumbate(ii)","bis(2-ethanolammonium)tetraiodoplumbate(II)","","- C4 H16 I4 N2 O2 Pb -","- C4 H16 I4 N2 O2 Pb -","- C8 H32 I8 N4 O4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.025","0.0234","","","0.0577","0.0583","","","","","","1.151","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212002","10.631","0.003","9.199","0.003","9.207","0.003","90","","93.057","0.006","90","","899.1","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(3-propanolammonium)tetraiodoplumbate(ii)","bis(3-propanolammonium)tetraiodoplumbate(II)","","- C6 H20 I4 N2 O2 Pb -","- C6 H20 I4 N2 O2 Pb -","- C12 H40 I8 N4 O4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0311","0.0296","","","0.0798","0.0807","","","","","","1.108","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212003","12.552","0.0009","8.7614","0.0006","8.6441","0.0006","90","","97.994","0.002","90","","941.38","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(2-iodoethylammonium)tetraiodoplumbate(ii)","bis(2-iodoethylammonium)tetraiodoplumbate(II)","","- C4 H14 I6 N2 Pb -","- C4 H14 I6 N2 Pb -","- C8 H28 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.034","0.0319","","","0.0782","0.0791","","","","","","1.158","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212004","14.0739","0.0015","9.0379","0.001","8.4723","0.001","90","","99.246","0.005","90","","1063.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(3-iodopropylammonium)tetraiodoplumbate(ii)","bis(3-iodopropylammonium)tetraiodoplumbate(II)","","- C6 H18 I6 N2 Pb -","- C6 H18 I6 N2 Pb -","- C12 H36 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.028","0.0251","","","0.0574","0.0582","","","","","","1.122","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212005","15.3677","0.0008","8.2431","0.0004","9.0441","0.0004","90","","91.905","0.001","90","","1145.05","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(4-iodobutylammonium)tetraiodoplumbate(ii)","bis(4-iodobutylammonium)tetraiodoplumbate(II)","","- C8 H22 I6 N2 Pb -","- C8 H22 I6 N2 Pb -","- C16 H44 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0247","0.0213","","","0.0553","0.0731","","","","","","1.215","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212006","16.2583","0.0011","8.9028","0.0005","8.6261","0.0006","90","","90.071","0.004","90","","1248.58","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(5-iodopentylammonium)tetraiodoplumbate(ii)","bis(5-iodopentylammonium)tetraiodoplumbate(II)","","- C10 H26 I6 N2 Pb -","- C10 H26 I6 N2 Pb -","- C20 H52 I12 N4 Pb2 -","2","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0413","0.0359","","","0.087","0.1002","","","","","","1.035","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212007","9.2206","0.0004","8.8513","0.0004","31.9795","0.0015","90","","90","","90","","2610","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","bis(6-iodohexylammonium)tetraiodoplumbste(ii)","bis(6-iodohexylammonium)tetraiodoplumbste(II)","","- C12 H30 I6 N2 Pb -","- C12 H30 I6 N2 Pb -","- C48 H120 I24 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0425","0.0334","","","0.089","0.1032","","","","","","1.175","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212008","12.8543","0.0007","20.7714","0.0013","6.4866","0.0004","90","","90","","90","","1731.93","0.18","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","bis(2-bromoethylammonium)tetraiodoplumbate(ii)","bis(2-bromoethylammonium)tetraiodoplumbate(II)","","- C4 H14 Br2 I4 N2 Pb -","- C4 H14 Br2 I4 N2 Pb -","- C16 H56 Br8 I16 N8 Pb4 -","4","0.5","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0637","0.0538","","","0.143","0.1485","","","","","","1.139","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212009","17.795","0.001","8.5195","0.0007","23.1666","0.0015","90","","98.719","0.005","90","","3471.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2,2'-dithiodiethanammonium)tetraiodoplumbate(ii)","(2,2'-dithiodiethanammonium)tetraiodoplumbate(II)","","- C8 H28 I8 N4 Pb2 S4 -","- C8 H28 I8 N4 Pb2 S4 -","- C32 H112 I32 N16 Pb8 S16 -","4","1","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0561","0.0354","","","0.0663","0.0705","","","","","","1.02","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212010","11.3748","0.0002","8.729","0.0001","29.2867","0.0004","90","","95.004","0.001","90","","2896.81","0.07","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","bis(2,2'-dithiodiethanammonium)pentaiodoplumbate(ii) iodide","bis(2,2'-dithiodiethanammonium)pentaiodoplumbate(II) iodide","","- C8 H28 I6 N4 Pb S4 -","- C8 H28 I6 N4 Pb S4 -","- C32 H112 I24 N16 Pb4 S16 -","4","1","","Lemmerer, Andreas; Billing, David G.","Effect of heteroatoms in the inorganic‒organic layered perovskite-type hybrids [(ZCnH2nNH3)2PbI4], n = 2, 3, 4, 5, 6; Z = OH, Br and I; and [(H3NC2H4S2C2H4NH3)PbI4]","CrystEngComm","2010","12","4","1290","","10.1039/b917824d","","","0.71073","MoKα","","0.0446","0.0381","","","0.0892","0.0921","","","","","","1.046","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212011","15.93","0.002","15.93","0.002","15.941","0.004","90","","90","","90","","4045.3","1.2","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C34 H48 F6 N4 O2 S4 Si Zn -","- C30 H36 F6 N4 S4 Si Zn -","- C120 H144 F24 N16 S16 Si4 Zn4 -","4","0.25","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: chaining cages into a 1-D coordination network","CrystEngComm","2010","12","1","67","","10.1039/b917864c","","","0.71073","MoKα","","0.1147","0.0491","","","0.1194","0.1495","","","","","","1.002","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212012","31.7084","0.0016","5.6724","0.0002","22.6344","0.0011","90","","134.288","0.005","90","","2914.2","0.3","120","2","120","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C48 H64 N8 -","- C48 H64 N8 -","- C96 H128 N16 -","2","0.5","","Dawson, Conor; Horton, Peter N.; Hursthouse, Michael B.; James, Stuart L.","Channelled crystals formed by tubular stacking of a 4 + 4 phenylene-piperazine macrocycle","CrystEngComm","2010","12","4","1048","","10.1039/b917953d","","","0.71073","MoKα","","0.0934","0.0726","","","0.1895","0.1998","","","","","","1.063","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212013","8.306","0.0006","10.5205","0.0009","12.4149","0.001","103.619","0.005","90.201","0.005","94.123","0.005","1051.39","0.15","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C20 H48 Cl6 N6 O28 S2 -","- C20 H48 Cl6 N6 O28 S2 -","- C20 H48 Cl6 N6 O28 S2 -","1","0.5","","Saeed, Musabbir A.; Thompson, Jameskia J.; Fronczek, Frank R.; Hossain, Md Alamgir","Ditopic binding of perchlorate anion to hexaazamacrocyclic hosts.","CrystEngComm / RSC","2010","12","3","674","676","10.1039/b918152k","","","1.54178","CuKα","","0.033","0.032","","","0.086","0.087","","","","","","1.051","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212014","36.577","0.007","36.577","0.007","36.577","0.007","90","","90","","90","","48936","16","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Cl4 Cu31 N96 O32 S32 -","- C48 H72 Cl4 Cu31 N96 O32 S32 -","- C384 H576 Cl32 Cu248 N768 O256 S256 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0561","0.0501","","","0.1007","0.1035","","","","","","1.106","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212015","36.3997","0.0005","36.3997","0.0005","36.3997","0.0005","90","","90","","90","","48227.4","1.1","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Br4 Cu31 N96 O32 S32 -","- C48 H72 Br4 Cu31 N96 O32 S32 -","- C384 H576 Br32 Cu248 N768 O256 S256 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0363","0.0333","","","0.0839","0.0854","","","","","","1.066","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212016","36.6289","0.0011","36.6289","0.0011","36.6289","0.0011","90","","90","","90","","49144","3","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Cu31 I4 N96 O32 S32 -","- C48 H72 Cu31 I4 N96 O31.996 S31.996 -","- C384 H576 Cu248 I32 N768 O255.968 S255.968 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0327","0.0316","","","0.084","0.0847","","","","","","1.065","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212017","19.711","0.004","18.928","0.004","23.826","0.005","90","","116.74","0.03","90","","7939","4","130","1","130","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Ce2 N6 O24 S3 -","- C60 H60 Ce2 N6 O24 S3 -","- C240 H240 Ce8 N24 O96 S12 -","4","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.71073","MoKα","","0.0693","0.042","","","0.0915","0.0969","","","","","","0.852","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212018","25.0566","0.0012","25.0566","0.0012","29.944","0.003","90","","90","","120","","16281","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H12 Ce O12 S2 -","- C28 H12 Ce O12 S2 -","- C252 H108 Ce9 O108 S18 -","9","0.5","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.41382","","","0.0924","0.079","","","0.2104","0.2168","","","","","","1.339","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212019","12.4996","0.0012","17.7008","0.0016","22.3869","0.0018","79.657","0.007","80.452","0.007","81.326","0.008","4767.6","0.8","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H59 Dy2 N6 O25 S3 -","- C60 H59 Dy2 N6 O25 S3 -","- C120 H118 Dy4 N12 O50 S6 -","2","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.71073","MoKα","","0.1711","0.0714","","","0.1719","0.2047","","","","","","0.866","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212020","19.5011","0.0013","16.7853","0.0012","24.295","0.0017","90","","112.891","0.002","90","","7326.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H67 La2 N7 O25 S3 -","- C63 H67 La2 N7 O25 S3 -","- C252 H268 La8 N28 O100 S12 -","4","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.40759","","","0.1485","0.0717","","","0.1693","0.2192","","","","","","1.388","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212021","35.0141","0.0019","14.9351","0.0008","30.3411","0.0017","90","","97.422","0.001","90","","15733.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 N6 O24 Pr2 S3 -","- C60 H60 N6 O24 Pr2 S3 -","- C480 H480 N48 O192 Pr16 S24 -","8","1","","Neofotistou, Eleftheria; Malliakas, Christos D.; Trikalitis, Pantelis N.","Remarkable structural diversity and single-crystal-to-single-crystal transformations in sulfone functionalized lanthanide MOFs","CrystEngComm","2010","12","4","1034","","10.1039/b918269c","","","0.41328","","","0.0768","0.0591","","","0.1516","0.1601","","","","","","1.069","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212022","22.276","0.0008","5.59764","0.00017","10.3599","0.0004","90","","109.912","0.004","90","","1214.58","0.08","195","0.1","195","0.1","","","100","","","","","3","C 1 2/c 1","-C 2yc","15","1,1,1,2-tetrachloroethane","1,1,1,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C16 H16 Cl32 -","8","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0441","0.0383","","","0.0898","0.094","","","","","","1.104","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212023","22.1891","0.0015","5.4975","0.0002","10.2493","0.0006","90","","110.055","0.007","90","","1174.45","0.12","100","0.1","100","0.1","","","100","","","","","3","C 1 2/c 1","-C 2yc","15","1,1,1,2-tetrachloroethane","1,1,1,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C16 H16 Cl32 -","8","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0294","0.0261","","","0.0523","0.0543","","","","","","1.084","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212024","5.7549","0.0014","11.979","0.007","8.734","0.005","90","","110.32","0.04","90","","564.6","0.5","295","2","295","2","","","1050000","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetrachloroethane","1,1,2,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C8 H8 Cl16 -","4","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.1269","0.0861","","","0.1978","0.2024","","","","","","1.155","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212025","5.6957","0.0014","11.85","0.007","8.61","0.005","90","","110.35","0.04","90","","544.9","0.5","295","2","295","2","","","1650000","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetrachloroethane","1,1,2,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C8 H8 Cl16 -","4","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0713","0.0691","","","0.1707","0.1729","","","","","","1.18","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212026","5.5937","0.0014","11.586","0.006","8.336","0.005","90","","110.6","0.04","90","","505.7","0.4","295","2","295","2","","","2550000","","","","","3","P 1 21/c 1","-P 2ybc","14","1,1,2,2-tetrachloroethane","1,1,2,2-tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C8 H8 Cl16 -","4","1","","Bujak, Maciej; Katrusiak, Andrzej","Molecular association in low-temperature and high-pressure polymorphs of 1,1,1,2-tetrachloroethane","CrystEngComm","2010","12","4","1263","","10.1039/b918360d","","","0.71073","MoKα","","0.0973","0.0901","","","0.2272","0.2365","","","","","","1.154","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212027","9.2189","0.0016","9.4608","0.0017","19.696","0.003","88.101","0.003","76.706","0.004","76.982","0.003","1628.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H74 I4 N12 O9 Zn2 -","- C48 H64 I4 N12 O9 Zn2 -","- C48 H64 I4 N12 O9 Zn2 -","1","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0906","0.0542","","","0.1255","0.1447","","","","","","1.074","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212028","15.3104","0.0012","17.8384","0.0013","14.6419","0.0012","90","","90","","90","","3998.9","0.5","297","2","297","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Cl2 N4 O3 Zn -","- C16 H20 Cl2 N4 O3 Zn -","- C128 H160 Cl16 N32 O24 Zn8 -","8","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0353","0.0274","","","0.0814","0.0859","","","","","","1.21","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212029","15.3196","0.0016","18.1947","0.0013","14.8493","0.0013","90","","90","","90","","4139","0.6","295","2","295","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Br2 N4 O3 Zn -","- C16 H20 Br2 N4 O3 Zn -","- C128 H160 Br16 N32 O24 Zn8 -","8","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0722","0.0414","","","0.0881","0.101","","","","","","1.018","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212030","9.327","0.0011","9.9752","0.0012","22.896","0.003","90","","91.813","0.011","90","","2129.1","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 I2 N4 O3 Zn -","- C16 H19 I2 N4 O3 Zn -","- C64 H76 I8 N16 O12 Zn4 -","4","1","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.114","0.0631","","","0.13","0.1514","","","","","","1.034","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212031","7.9172","0.0005","23.3476","0.0015","12.7571","0.0008","90","","100.82","0.001","90","","2316.2","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cl4 N10 O6 Zn2 -","- C38 H50 Cl4 N10 O6 Zn2 -","- C76 H100 Cl8 N20 O12 Zn4 -","2","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.05","0.0362","","","0.1014","0.1082","","","","","","1.057","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212032","7.9082","0.0006","23.8744","0.0016","12.8431","0.0009","90","","99.321","0.001","90","","2392.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Br4 N10 O6 Zn2 -","- C38 H50 Br4 N10 O6 Zn2 -","- C76 H100 Br8 N20 O12 Zn4 -","2","0.5","","Hsu, Yi-Fen; Hsu, Wayne; Wu, Chia-Jun; Cheng, Pei-Chi; Yeh, Chun-Wei; Chang, Wen-Jung; Chen, Jhy-Der; Wang, Ju-Chun","Roles of halide anions in the structural diversity of Zn(ii) complexes containing the flexible N,N′-di(4-pyridyl)adipoamide ligand","CrystEngComm","2010","12","3","702","","10.1039/b918484h","","","0.71073","MoKα","","0.0432","0.0314","","","0.0846","0.0881","","","","","","1.06","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212033","14.8259","0.0005","7.8389","0.0002","16.1032","0.0005","90","","108.651","0.0016","90","","1773.21","0.09","273.1","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H54 F N O5 -","- C39 H54 F N O5 -","- C78 H108 F2 N2 O10 -","2","1","","Nakano, Kazunori; Akita, Shigendo; Murai, Taketoshi; Liu, Wen-Tzu; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Selective guest retention in thermal guest-release process in sandwich-type inclusion crystal of cholic acid","CrystEngComm","2010","12","5","1461","","10.1039/b918639e","","","1.54187","CuKα","","","0.0623","","","","0.1922","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212034","10.695","0.001","19.671","0.002","11.881","0.001","90","","98.661","0.001","90","","2471","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cd N2 O9 -","- C26 H22 Cd N2 O9 -","- C104 H88 Cd4 N8 O36 -","4","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0305","0.0258","","","0.0611","0.0638","","","","","","1.049","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212035","8.195","0.001","12.631","0.001","14.299","0.001","98.722","0.001","97.515","0.001","93.299","0.001","1445.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H51 Cd3 N6 O18.5 -","- C62 H50 Cd3 N6 O18.5 -","- C62 H50 Cd3 N6 O18.5 -","1","0.5","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0262","0.0223","","","0.0499","0.052","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212036","11.41","0.002","16.341","0.003","13.791","0.003","90","","98.474","0.004","90","","2543.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co N2 O8 -","- C26 H20 Co N2 O8 -","- C104 H80 Co4 N8 O32 -","4","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0913","0.0523","","","0.1223","0.1414","","","","","","1.016","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212037","8.2632","0.0008","11.0605","0.0011","12.7617","0.0012","80.7092","0.0012","81.0167","0.0013","69.1695","0.0011","1069.64","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Co2 N O10.25 -","- C21 H14 Co2 N O10.25 -","- C42 H28 Co4 N2 O20.5 -","2","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71073","MoKα","","0.0622","0.0439","","","0.1059","0.1169","","","","","","1.035","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212038","10.001","0.002","20.682","0.003","13.341","0.002","90","","90.525","0.006","90","","2759.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 N8 O17 Zn2 -","- C56 H40 N8 O17 Zn2 -","- C112 H80 N16 O34 Zn4 -","2","0.5","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0653","0.0439","","","0.1223","0.1383","","","","","","1.061","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212039","13.345","0.004","16.436","0.002","25.792","0.005","90","","90.127","0.003","90","","5657","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 N8 O17 Zn3 -","- C56 H44 N8 O17 Zn3 -","- C224 H176 N32 O68 Zn12 -","4","1","","Chen, Lei; Xu, Guang-Juan; Shao, Kui-Zhan; Zhao, Ya-Hui; Yang, Guang-Sheng; Lan, Ya-Qian; Wang, Xin-Long; Xu, Hong-Bin; Su, Zhong-Min","pH-dependent self-assembly of divalent metals with a new ligand containing polycarboxylate: syntheses, crystal structures, luminescent and magnetic properties","CrystEngComm","2010","12","7","2157","","10.1039/b918647f","","","0.71069","MoKα","","0.0707","0.037","","","0.078","0.0897","","","","","","1.01","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212041","7.2438","0.0005","18.4781","0.0012","19.8909","0.0013","90","","90","","90","","2662.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 La N8 O14 -","- C20 H21 La N8 O14 -","- C80 H84 La4 N32 O56 -","4","1","","Khanjani, Somaye; Morsali, Ali; Retailleau, Pascal","Reversible crystal to crystal transformation of a hydrogen-bonded polymer to another in a solid-gas reaction along with morphology change: nano-particles to nano-rods conversion","CrystEngComm","2010","12","7","2173","","10.1039/b918746d","","","0.71073","MoKα","","0.0231","0.0215","","","0.0452","0.0464","","","","","","1.035","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212042","11.245","0.002","18.322","0.003","13.475","0.002","90","","103.161","0.005","90","","2703.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 La N9 O15 -","- C20 H18 La N9 O15 -","- C80 H72 La4 N36 O60 -","4","1","","Khanjani, Somaye; Morsali, Ali; Retailleau, Pascal","Reversible crystal to crystal transformation of a hydrogen-bonded polymer to another in a solid-gas reaction along with morphology change: nano-particles to nano-rods conversion","CrystEngComm","2010","12","7","2173","","10.1039/b918746d","","","0.71069","MoKα","","0.0609","0.0328","","","0.0617","0.07","","","","","","1.039","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212043","7.3777","0.0016","10.187","0.002","12.57","0.003","86.803","0.004","81.176","0.004","74.745","0.004","900.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N7 O2 P -","- C16 H20 N7 O2 P -","- C32 H40 N14 O4 P2 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas","Trapping two different CdCl2 1D-layered structures by a cyclocarbophosphazene-based ligand","CrystEngComm","2010","12","3","682","","10.1039/b918776f","","","0.71073","MoKα","","0.0864","0.0598","","","0.1499","0.2082","","","","","","1.135","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212044","14.196","0.005","15.367","0.005","16.615","0.005","76.167","0.005","87.919","0.005","64.595","0.005","3170","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H40 Cd3 Cl6 N14 O5 P2 -","- C32 H40 Cd3 Cl6 N14 O5 P2 -","- C64 H80 Cd6 Cl12 N28 O10 P4 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas","Trapping two different CdCl2 1D-layered structures by a cyclocarbophosphazene-based ligand","CrystEngComm","2010","12","3","682","","10.1039/b918776f","","","0.71069","MoKα","","0.081","0.0647","","","0.1853","0.2121","","","","","","1.093","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212045","13.957","","25.704","","15.827","","90","","93.362","","90","","5668.18","","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H49 Cd2 Cl7 N14 O8 P2 -","- C33 H41 Cd2 Cl7 N14 O8 P2 -","- C132 H164 Cd8 Cl28 N56 O32 P8 -","4","1","","Chandrasekhar, Vadapalli; Senapati, Tapas","Trapping two different CdCl2 1D-layered structures by a cyclocarbophosphazene-based ligand","CrystEngComm","2010","12","3","682","","10.1039/b918776f","","","0.71069","MoKα","","0.1538","0.0829","","","0.249","0.3149","","","","","","1.033","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212046","9.632","0.002","9.769","0.002","10.179","0.003","83.769","0.004","71.882","0.004","83.372","0.004","901.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 Ag4 Br4 N8 -","- C26 H40 Ag4 Br4 N8 -","- C26 H40 Ag4 Br4 N8 -","1","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0779","0.064","","","0.1543","0.1636","","","","","","1.092","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212047","11.245","0.002","10.293","0.002","20.831","0.004","90","","92.69","0.03","90","","2408.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Ag F6 N4 P -","- C23 H24 Ag F6 N4 P -","- C92 H96 Ag4 F24 N16 P4 -","4","1","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0325","0.028","","","0.0653","0.0678","","","","","","1.052","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212048","10.1278","0.0012","10.3697","0.0012","11.5198","0.0013","87.968","0.002","64.179","0.002","67.365","0.002","992.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Ag2 F12 N8 P2 -","- C28 H44 Ag2 F12 N8 P2 -","- C28 H44 Ag2 F12 N8 P2 -","1","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0367","0.0321","","","0.085","0.0891","","","","","","1.056","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212049","8.531","0.003","12.021","0.003","14.501","0.006","110.703","0.007","92.506","0.007","108.34","0.005","1300.1","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 Ag2 F12 N8 P2 -","- C48 H52 Ag2 F12 N8 P2 -","- C48 H52 Ag2 F12 N8 P2 -","1","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0577","0.0475","","","0.1308","0.1411","","","","","","1.038","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212050","20.2803","0.001","21.4577","0.0011","11.6771","0.0006","90","","123.745","0.001","90","","4225.4","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H48 Ag2 F12 N8 P2 -","- C30 H48 Ag2 F12 N8 P2 -","- C120 H192 Ag8 F48 N32 P8 -","4","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0499","0.0436","","","0.1146","0.1204","","","","","","1.032","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212051","24.699","0.005","18.113","0.004","12.594","0.003","90","","90","","90","","5634","2","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C100 H112 Ag4 F24 N16 O P4 -","- C100 H112 Ag4 F24 N16 O P4 -","- C200 H224 Ag8 F48 N32 O2 P8 -","2","0.25","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.1129","0.0911","","","0.1992","0.2122","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212052","11.8837","0.001","16.5498","0.0015","17.1589","0.0014","90","","97.671","0.002","90","","3344.5","0.5","296","2","296","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C102 H134 Ag4 F24 N16 O P4 S -","- C102 H134 Ag4 F24 N16 O P4 S -","- C102 H134 Ag4 F24 N16 O P4 S -","1","0.25","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.0915","0.0548","","","0.1685","0.1883","","","","","","0.958","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212053","16.2792","0.0017","26.712","0.003","17.4205","0.0019","90","","90","","90","","7575.3","1.4","296","2","296","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C31.5 H30 Ag F6 N4 O0.5 P -","- C31.5 H28 Ag F6 N4 O0.5 P -","- C252 H224 Ag8 F48 N32 O4 P8 -","8","0.5","","Liu, Qing-Xiang; Yang, Xiao-Qiong; Zhao, Xiao-Jun; Ge, Shu-Sheng; Liu, Shu-Wen; Zang, Yan; Song, Hai-bin; Guo, Jian-Hua; Wang, Xiu-Guang","Macrocyclic dinuclear silver(i) complexes based on bis(N-heterocyclic carbene) ligands: synthesis and structural studies","CrystEngComm","2010","12","7","2245","","10.1039/b919007d","","","0.71073","MoKα","","0.1288","0.0939","","","0.2807","0.3366","","","","","","1.269","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212054","12.584","0.002","16.704","0.003","17.665","0.003","90.089","0.003","105.29","0.003","106.881","0.003","3415.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H72 Co4 N8 O16 -","- C80 H72 Co4 N8 O16 -","- C160 H144 Co8 N16 O32 -","2","1","","Zheng, Yan-Zhen; Speldrich, Manfred; Kögerler, Paul; Chen, Xiao-Ming","The role of π‒π stacking in stabilizing a,a-trans-cyclohexane-1,4-dicarboxylate in a 2D Co(ii) network","CrystEngComm","2010","12","4","1057","","10.1039/b919029e","","","0.71073","MoKα","","0.0741","0.0531","","","0.1394","0.1535","","","","","","1.086","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212055","7.641","0.002","13.15","0.004","18.236","0.005","77.837","0.014","80.45","0.014","80.031","0.015","1748.1","0.9","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H38 Nd2 O34 -","- C21 H28 Nd2 O34 -","- C42 H56 Nd4 O68 -","2","1","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0691","0.0459","","","0.1073","0.1274","","","","","","1.083","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212056","9.4966","0.0019","9.602","0.0019","10.144","0.002","69.48","0.03","68.52","0.03","83.79","0.03","805.9","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Eu2 O30 -","- C21 H22 Eu2 O30 -","- C21 H22 Eu2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0694","0.0653","","","0.1668","0.1707","","","","","","1.112","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212057","9.507","0.002","9.649","0.002","10.1681","0.0018","69.731","0.011","68.642","0.009","84.062","0.012","814.6","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Gd2 O30 -","- C21 H22 Gd2 O30 -","- C21 H22 Gd2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.7107","MoKα","","0.0265","0.0231","","","0.0553","0.0564","","","","","","1.029","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212058","9.508","0.004","9.648","0.004","10.153","0.003","69.65","0.011","68.52","0.012","83.93","0.013","812.3","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 O30 Tb2 -","- C21 H22 O30.5 Tb2 -","- C21 H22 O30.5 Tb2 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0452","0.0403","","","0.0925","0.0948","","","","","","1.035","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212059","9.4832","0.0019","9.626","0.0019","10.142","0.002","69.53","0.03","68.52","0.03","83.76","0.03","806.9","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Dy2 O30 -","- C21 H22 Dy2 O30 -","- C21 H22 Dy2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0454","0.0405","","","0.0965","0.0991","","","","","","1.016","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212060","9.4966","0.0019","9.602","0.0019","10.144","0.002","69.48","0.03","68.52","0.03","83.79","0.03","805.9","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 Ho2 O30 -","- C21 H22 Ho2 O30 -","- C21 H22 Ho2 O30 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0704","0.0642","","","0.1588","0.1611","","","","","","1.046","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212061","6.1814","0.0004","10.0963","0.0007","10.8666","0.0007","97.249","0.006","95.999","0.005","103.84","0.006","646.81","0.08","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 Ho2 O26 -","- C16 H24 Ho2 O26 -","- C16 H24 Ho2 O26 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0205","0.0197","","","0.0492","0.0496","","","","","","1.072","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212062","6.3385","0.0013","10.34","0.002","13.7","0.003","108.6","0.03","94.42","0.03","106.38","0.03","802.6","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 Er2 O30 -","- C16 H24 Er2 O30.44 -","- C16 H24 Er2 O30.44 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0272","0.0255","","","0.0653","0.0665","","","","","","1.048","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212063","6.2356","0.0012","10.183","0.002","13.466","0.003","108.55","0.03","94.37","0.03","106.45","0.03","764.3","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 O30 Tm2 -","- C16 H8 O30 Tm2 -","- C16 H8 O30 Tm2 -","1","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0215","0.0203","","","0.0551","0.0556","","","","","","1.073","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212064","7.4895","0.0015","11.093","0.002","16.875","0.003","86.68","0.03","80.69","0.03","77.65","0.03","1351.1","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H26 O27 Yb2 -","- C16 H22 O27 Yb2 -","- C32 H44 O54 Yb4 -","2","1","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0414","0.036","","","0.1005","0.1027","","","","","","1.065","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212065","19.441","0.002","10.0363","0.0012","4.319","0.0005","90","","90","","90","","842.7","0.16","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H4 Ba O7 -","- C7 H4 Ba O7 -","- C28 H16 Ba4 O28 -","4","0.5","","Zhang, Zhen-Jie; Zhang, Shi-Yuan; Li, Yi; Niu, Zheng; Shi, Wei; Cheng, Peng","Systematic investigation of the lanthanide coordination polymers with γ-pyrone-2,6-dicarboxylic acid","CrystEngComm","2010","12","6","1809","","10.1039/b919056b","","","0.71073","MoKα","","0.0206","0.0184","","","0.0406","0.0412","","","","","","1.179","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212066","14.744","0.0003","13.7417","0.0003","16.812","0.0004","90","","90","","90","","3406.24","0.13","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H18 Cl2 N4 O8 -","- C11 H18 Cl2 N4 O8 -","- C88 H144 Cl16 N32 O64 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0697","0.0488","","","0.1342","0.1478","","","","","","1.047","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212067","7.2653","0.0002","8.4142","0.0002","9.8774","0.0002","99.363","0.001","101.806","0.001","106.777","0.001","549.82","0.02","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H16 N4 -","- C11 H16 N4 -","- C22 H32 N8 -","2","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.075","0.0577","","","0.1535","0.1629","","","","","","1.052","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212068","8.2313","0.0003","16.1062","0.0007","17.0904","0.0007","90","","90","","90","","2265.76","0.16","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H16 N4 -","- C11 H16 N4 -","- C88 H128 N32 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0571","0.0457","","","0.1264","0.1337","","","","","","1.117","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212069","15.3698","0.0009","13.6543","0.0008","18.7565","0.0012","90","","90","","90","","3936.3","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H18 F6 N4 O4 -","- C15 H18 F6 N4 O4 -","- C120 H144 F48 N32 O32 -","8","1","","Basu, Tannistha; Mondal, Raju","Construction of first anion-assisted helix inside a helix network","CrystEngComm","2010","12","2","366","","10.1039/b919235m","","","0.71073","MoKα","","0.0796","0.0586","","","0.1563","0.1714","","","","","","1.041","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212070","8.884","0.0007","13.093","0.0006","13.1346","0.0004","90","","90","","90","","1527.79","0.15","293","2","293","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C7 H11 La N10 O6 -","- C7 H11 La N10 O6 -","- C28 H44 La4 N40 O24 -","4","0.5","","Rodríguez-Diéguez, A.; Salinas-Castillo, A.; Sironi, A.; Seco, J. M.; Colacio, E.","A chiral diamondoid 3D lanthanum metal‒organic framework displaying blue-greenish long lifetime photoluminescence emission","CrystEngComm","2010","12","6","1876","","10.1039/b919243c","","","0.71073","MoKα","","0.0128","0.0125","","","0.0297","0.0298","","","","","","1.061","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212071","19.183","0.004","10.025","0.002","6.6486","0.0015","90","","105.274","0.004","90","","1233.4","0.5","273","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cu O2 -","- C6 H6 Cu O2 -","- C48 H48 Cu8 O16 -","8","1","","Hu, Tuoping; He, Haiyan; Dai, Fangna; Zhao, Xiaoliang; Sun, Daofeng","A new Cu(i) coordination polymer with the CdSO4 structure type prepared via biphasic solvothermal reaction","CrystEngComm","2010","12","7","2018","","10.1039/b919342c","","","0.71073","MoKα","","0.036","0.0277","","","0.0696","0.0759","","","","","","1.03","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212072","7.6983","0.0008","12.266","0.002","15.0185","0.0017","90","","101.447","0.009","90","","1389.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-ethyl-3-methylimidazolium hexachloridophosphate","1-ethyl-3-methylimidazolium hexachloridophosphate","","- C6 H11 Cl6 N2 P -","- C6 H11 Cl6 N2 P -","- C24 H44 Cl24 N8 P4 -","4","1","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0384","0.0322","","","0.0723","0.075","","","","","","1.102","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212073","20.1861","0.0014","7.0842","0.0006","20.5488","0.0013","90","","98.455","0.005","90","","2906.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-ethyl-3-methylimidazolium hexachloridoniobate","1-ethyl-3-methylimidazolium hexachloridoniobate","","- C6 H11 Cl6 N2 Nb -","- C6 H11 Cl6 N2 Nb -","- C48 H88 Cl48 N16 Nb8 -","8","2","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0387","0.0316","","","0.0728","0.0766","","","","","","1.092","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212074","14.6807","0.0016","7.2421","0.0007","16.1568","0.0017","90","","101.548","0.009","90","","1683","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-butyl-4-methylpyridinium hexachloridophosphate","1-butyl-4-methylpyridinium hexachloridophosphate","","- C10 H16 Cl6 N P -","- C10 H16 Cl6 N P -","- C40 H64 Cl24 N4 P4 -","4","1","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0593","0.0475","","","0.0992","0.106","","","","","","1.119","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212075","15.1731","0.0019","7.3248","0.0007","16.193","0.0018","90","","101.85","0.009","90","","1761.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-butyl-4-methylpyridinium hexachloridoniobate","1-butyl-4-methylpyridinium hexachloridoniobate","","- C10 H16 Cl6 N Nb -","- C10 H16 Cl6 N Nb -","- C40 H64 Cl24 N4 Nb4 -","4","1","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0464","0.035","","","0.0763","0.0809","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212076","10.3957","0.0011","23.05","0.002","14.9737","0.0016","90","","102.278","0.008","90","","3505.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-butyl-3-methylpyridinium hexachloridoniobate","1-butyl-3-methylpyridinium hexachloridoniobate","","- C10 H16 Cl6 N Nb -","- C10 H16 Cl6 N Nb -","- C80 H128 Cl48 N8 Nb8 -","8","2","","Gjikaj, Mimoza; Leye, Johann-Christian; Xie, Tao; Brockner, Wolfgang","Structural and spectroscopic elucidation of imidazolium and pyridinium based hexachloridophosphates and niobates","CrystEngComm","2010","12","5","1474","","10.1039/b919368e","","","0.71073","MoKα","","0.0626","0.0423","","","0.0878","0.0953","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212077","31.634","0.009","9.214","0.003","8.328","0.002","90","","103.602","0.005","90","","2359.3","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H13.84 Cu2 N4 O10.92 S -","- C16 H13.84 Cu2 N4 O10.92 S -","- C64 H55.36 Cu8 N16 O43.68 S4 -","4","0.5","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0761","0.0517","","","0.1705","0.1812","","","","","","1.051","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212078","8.9863","0.0017","10.0916","0.0018","11.218","0.002","90.343","0.003","108.875","0.003","109.516","0.003","899.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cu N4 O7 S -","- C15 H16 Cu N4 O7 S -","- C30 H32 Cu2 N8 O14 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0498","0.0376","","","0.0998","0.112","","","","","","0.999","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212079","15.18","0.008","12.571","0.007","8.951","0.005","90","","95.759","0.012","90","","1699.5","1.6","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cu N4 O4 S -","- C17 H14 Cu N4 O4 S -","- C68 H56 Cu4 N16 O16 S4 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.1627","0.0739","","","0.1789","0.2333","","","","","","1.055","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212080","9.124","0.002","9.649","0.002","11.613","0.003","91.85","0.004","104.821","0.004","112.236","0.004","905.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cu N4 O4 S -","- C18 H16 Cu N4 O4 S -","- C36 H32 Cu2 N8 O8 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0887","0.048","","","0.115","0.1385","","","","","","0.841","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212081","15.945","0.004","14.811","0.004","15.159","0.004","90","","90","","90","","3580","1.6","296","2","296","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C32 H26 Cu2 N8 O11 S2 -","- C32 H26 Cu2 N8 O11 S2 -","- C128 H104 Cu8 N32 O44 S8 -","4","0.5","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.1043","0.0446","","","0.0926","0.1005","","","","","","1.055","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212082","29.719","0.005","7.4493","0.0013","7.5474","0.0013","90","","90","","90","","1670.9","0.5","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H12 Cd N4 O5 S -","- C15 H12 Cd N4 O5 S -","- C60 H48 Cd4 N16 O20 S4 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0531","0.0431","","","0.1179","0.126","","","","","","1.07","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212083","10.5795","0.0007","11.5813","0.0008","13.6314","0.0009","90","","105.936","0.001","90","","1605.99","0.19","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cd N4 O4 S -","- C16 H12 Cd N4 O4 S -","- C64 H48 Cd4 N16 O16 S4 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0226","0.0207","","","0.0597","0.0608","","","","","","1.01","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212084","8.8599","0.0019","9.647","0.002","11.62","0.003","87.575","0.004","80.901","0.004","70.326","0.003","923.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cd N4 O5 S -","- C17 H14 Cd N4 O5 S -","- C34 H28 Cd2 N8 O10 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0737","0.0494","","","0.1274","0.1721","","","","","","1.058","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212085","31.025","0.005","7.5923","0.0013","15.377","0.003","90","","90","","90","","3622.1","1.1","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H24 Cd2 N8 O10 S2 -","- C32 H24 Cd2 N8 O10 S2 -","- C128 H96 Cd8 N32 O40 S8 -","4","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0714","0.0459","","","0.1166","0.1265","","","","","","0.994","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212086","7.1079","0.0015","7.6454","0.0015","16.848","0.003","79.895","0.003","85.666","0.004","85.1","0.004","896.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cd N4 O6 S -","- C16 H14 Cd N4 O6 S -","- C32 H28 Cd2 N8 O12 S2 -","2","1","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Wei-Hong; Ren, Chen; Liu, Rui-Ting; Shi, Qi-Zhen","Self-assembled coordination polymers of V-shaped bis(pyridyl)thiadiazole dependent upon the spacer length and flexibility of aliphatic dicarboxylate ligands","CrystEngComm","2010","12","4","1238","","10.1039/b919381m","","","0.71073","MoKα","","0.0712","0.0472","","","0.1147","0.1587","","","","","","1.045","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212087","4.6363","0.0003","10.3293","0.0009","19.5855","0.0016","90","","93.632","0.005","90","","936.06","0.13","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-acetyloxy-4-methylbenzoic acid","2-acetyloxy-4-methylbenzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.1242","0.066","","","0.1464","0.1709","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212088","10.3912","0.0004","4.7265","0.0001","19.5116","0.0009","90","","96.383","0.002","90","","952.35","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-bromobenzoic acid","2-acetyloxy-5-bromobenzoic acid","","- C9 H7 Br O4 -","- C9 H7 Br O4 -","- C36 H28 Br4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0567","0.0347","","","0.0676","0.0757","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212089","10.1217","0.0004","4.7359","0.0001","19.4447","0.0007","90","","96.219","0.002","90","","926.6","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-chlorobenzoic acid","2-acetyloxy-5-chlorobenzoic acid","","- C9 H7 Cl O4 -","- C9 H7 Cl O4 -","- C36 H28 Cl4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0567","0.0387","","","0.0889","0.0973","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212090","9.7655","0.0005","4.8919","0.0002","18.3338","0.001","90","","104.739","0.003","90","","847.02","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-fluorobenzoic acid","2-acetyloxy-5-fluorobenzoic acid","","- C9 H7 F O4 -","- C9 H7 F O4 -","- C36 H28 F4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0726","0.0445","","","0.1056","0.1226","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212091","10.7838","0.0005","4.7168","0.0002","19.5502","0.0008","90","","96.63","0.002","90","","987.77","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-iodobenzoic acid","2-acetyloxy-5-iodobenzoic acid","","- C9 H7 I O4 -","- C9 H7 I O4 -","- C36 H28 I4 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0457","0.0368","","","0.0752","0.0806","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212092","10.1301","0.0003","4.8831","0.0001","18.9682","0.0007","90","","100.696","0.002","90","","921.98","0.05","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-methylbenzoic acid","2-acetyloxy-5-methylbenzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0671","0.0463","","","0.107","0.1193","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212093","9.9166","0.0003","5.0444","0.0001","18.6808","0.0005","90","","99.686","0.001","90","","921.15","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-acetyloxy-5-nitrobenzoic acid","2-acetyloxy-5-nitrobenzoic acid","","- C9 H7 N O6 -","- C9 H7 N O6 -","- C36 H28 N4 O24 -","4","1","","Hursthouse, Michael B.; Montis, Riccardo; Tizzard, Graham J.","Intriguing relationships and associations in the crystal structures of a family of substituted aspirin molecules","CrystEngComm","2010","12","3","953","","10.1039/b919538f","","","0.71073","MoKα","","0.0436","0.036","","","0.0936","0.0999","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212096","18.239","0.002","7.3435","0.0008","25.197","0.003","90","","101.957","0.003","90","","3301.6","0.6","292","2","292","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","4-(4-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester","4-(4-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C120 H144 N16 O24 S8 -","8","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0525","0.0468","","","0.1376","0.1418","","","","","","1.066","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212097","7.347","0.002","9.542","0.003","11.327","0.004","71.093","0.005","88.642","0.005","69.792","0.005","701.5","0.4","292","2","292","2","","","","","","","see text","6","P -1","-P 1","2","4-(4-Fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic","4-(4-Fluoro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C14 H15 F N2 O2 S -","- C14 H15 F N2 O2 S -","- C28 H30 F2 N4 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0465","0.0413","","","0.1121","0.1156","","","","","","1.036","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212098","7.355","0.0009","9.4652","0.0012","12.2073","0.0016","74.218","0.002","88.672","0.002","69.844","0.002","765.37","0.17","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","6-Methyl-2-thioxo-4-p-tolyl-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethy","6-Methyl-2-thioxo-4-p-tolyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C30 H36 N4 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0497","0.0418","","","0.1113","0.1158","","","","","","1.068","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212099","7.294","0.003","10.43","0.004","10.634","0.004","107.6","0.006","90.61","0.006","107.82","0.006","729.4","0.5","292","2","292","2","","","","","","","see text","6","P -1","-P 1","2","4-(3-Chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic","4-(3-Chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","","- C14 H15 Cl N2 O2 S -","- C14 H15 Cl N2 O2 S -","- C28 H30 Cl2 N4 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0747","0.0653","","","0.1745","0.1844","","","","","","1.091","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212100","8.0235","0.0003","10.6374","0.0005","11.8171","0.0004","84.489","0.003","74.115","0.003","69.045","0.004","905.9","0.07","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","4-(2,3,4-trimethoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4- tetrahydro-pyrimidine-5-carboxylic acid ethyl ester","4-(2,3,4-trimethoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C17 H22 N2 O5 S -","- C17 H22 N2 O5 S -","- C34 H44 N4 O10 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0457","0.0372","","","0.1053","0.1084","","","","","","1.115","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212101","11.534","0.005","12.54","0.005","12.618","0.005","81.012","0.005","64.177","0.005","64.737","0.005","1484.7","1.1","292","2","292","2","","","","","","","see text","6","P -1","-P 1","2","4-(2-chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester","4-(2-chloro-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C14 H15 Cl N2 O2 S -","- C14 H15 Cl N2 O2 S -","- C56 H60 Cl4 N8 O8 S4 -","4","2","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","","0.7107","MoKα","","0.1149","0.0462","","","0.0834","0.0944","","","","","","0.864","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212102","12.286","0.002","8.2534","0.001","15.956","0.003","90","","106.98","0.02","90","","1547.4","0.5","292","2","292","2","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","4-(3-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro- pyrimidine-5-carboxylic acid ethyl ester","4-(3-Methoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5- carboxylic acid ethyl ester","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C60 H72 N8 O12 S4 -","4","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","","0.7107","MoKα","","0.0886","0.0494","","","0.1189","0.1297","","","","","","0.975","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212103","7.369","0.003","9.442","0.0019","13.086","0.003","102.79","0.03","90.557","0.019","110.68","0.02","826.8","0.5","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 N3 O2 S -","- C16 H21 N3 O2 S -","- C32 H42 N6 O4 S2 -","2","1","","Nayak, Susanta K.; Venugopala, K. N.; Chopra, Deepak; Vasu,; Row, T. N. Guru","Effect of substitution on molecular conformation and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylates","CrystEngComm","2010","12","4","1205","","10.1039/b919648j","","x-ray","0.71073","MoKα","","0.0543","0.0423","","","0.1031","0.113","","","","","","1.055","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212104","6.5621","0.0009","6.5621","0.0009","11.954","0.002","90","","90","","90","","514.75","0.13","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- Lu2 O7 Si2 -","- Lu2 O7 Si2 -","- Lu8 O28 Si8 -","4","0.5","","Wang, Chao; Liu, Xiaoyang; Fleet, M. E.; Li, Jixue; Feng, Shouhua; Xu, Ruren; Jin, Zhenmin","Helical chain observed under transmission electron microscope: Synthesis and structure refinement of lutetium disilicate Lu2Si2O7","CrystEngComm","2010","12","5","1617","","10.1039/b919658g","","","0.71073","MoKα","","0.0517","0.0379","","","0.075","0.0815","","","","","","1.064","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212105","10.6979","0.0008","10.8874","0.0008","14.7652","0.0016","91.651","0.001","93.543","0.001","118.564","0.001","1504.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 Co Cu N4 O8 -","- C30 H20 Co Cu N4 O8 -","- C60 H40 Co2 Cu2 N8 O16 -","2","1","","Chen, Pang-kuan; Qi, Yan; Che, Yun-xia; Zheng, Ji-min","Network topology and property studies for two binodal self-penetrated coordination polymers","CrystEngComm","2010","12","3","720","","10.1039/b919676p","","","0.71073","MoKα","","0.0449","0.0366","","","0.1055","0.1111","","","","","","1.044","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212106","20.584","0.004","11.949","0.002","15.098","0.003","90","","90","","90","","3713.5","1.2","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C72 H68 Co4 N16 O16 -","- C72 H68 Co4 N16 O16 -","- C144 H136 Co8 N32 O32 -","2","0.25","","Chen, Pang-kuan; Qi, Yan; Che, Yun-xia; Zheng, Ji-min","Network topology and property studies for two binodal self-penetrated coordination polymers","CrystEngComm","2010","12","3","720","","10.1039/b919676p","","x-ray","0.71073","MoKα","","0.0633","0.0492","","","0.1318","0.1411","","","","","","1.058","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212107","20.565","0.0018","35.458","0.003","10.1333","0.0009","90","","114.978","0.001","90","","6698","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H76 Eu5 N9 O50 S12 -","- C18 H72 Eu5 N9 O50 S12 -","- C72 H288 Eu20 N36 O200 S48 -","4","0.5","","Zheng, Lei; Xu, Yan; Zhang, Xiaoliang; Zhang, Zhibin; Zhu, Dunru; Chen, Su; Elangovan, S. P.","(C2H8N)9[Eu5(SO4)12]·2H2O: the first europium sulfate open-framework containing two kinds of intersecting extra-large 20-membered ring channels","CrystEngComm","2010","12","3","694","","10.1039/b919703f","","","0.71073","MoKα","","0.0588","0.0489","","","0.1481","0.1536","","","","","","1.153","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7212108","20.905","0.002","25.404","0.002","18.869","0.002","90","","90.788","0.003","90","","10019.8","1.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H114 N12 Na2 Ni5 O28 -","- C100 H114 N12 Na2 Ni5 O28 -","- C400 H456 N48 Na8 Ni20 O112 -","4","0.5","","Nayak, Malabika; Jana, Arpita; Fleck, Michel; Hazra, Susanta; Mohanta, Sasankasekhar","A unique example of a three component cocrystal of metal complexes","CrystEngComm","2010","12","5","1416","","10.1039/b919803b","","","0.71073","MoKα","","0.089","0.0498","","","0.0961","0.1159","","","","","","1.021","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212109","16.7617","0.0002","16.457","0.0002","19.1902","0.0002","90","","90","","90","","5293.56","0.11","210","2","210","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H20 Ag Cl N6 O4 -","- C26 H20 Ag Cl N6 O4 -","- C208 H160 Ag8 Cl8 N48 O32 -","8","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0443","0.0314","","","0.0805","0.0876","","","","","","1.014","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212110","10.5733","0.0004","11.1066","0.0004","21.3032","0.0008","98.176","0.002","93.162","0.002","97.274","0.002","2449.52","0.16","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Ag B F4 N12 -","- C52 H40 Ag B F4 N12 -","- C104 H80 Ag2 B2 F8 N24 -","2","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0656","0.0453","","","0.1113","0.1237","","","","","","1.025","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212111","12.162","0.009","13.554","0.009","17.423","0.013","90","","96.672","0.019","90","","2853","4","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H26 Ag N7 O4 -","- C28 H26 Ag N7 O4 -","- C112 H104 Ag4 N28 O16 -","4","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0688","0.0416","","","0.1065","0.1182","","","","","","0.978","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212112","25.062","0.007","9.816","0.003","23.111","0.007","90","","106.78","0.006","90","","5443","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H43 N15 S2 Zn -","- C56 H43 N15 S2 Zn -","- C224 H172 N60 S8 Zn4 -","4","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.263","0.0564","","","0.0913","0.138","","","","","","1.045","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212113","10.38","0.006","11.008","0.007","11.174","0.007","105.477","0.01","91.417","0.011","103.155","0.01","1193.2","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Ag N7 O3 -","- C26 H20 Ag N7 O3 -","- C52 H40 Ag2 N14 O6 -","2","1","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.043","0.0334","","","0.0839","0.088","","","","","","1.1","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212114","8.5305","0.0008","10.6074","0.001","14.4874","0.0013","92.912","0.002","92.474","0.002","104.149","0.002","1267.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H43 Cl2 Fe N13 -","- C54 H43 Cl2 Fe N13 -","- C54 H43 Cl2 Fe N13 -","1","0.5","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.1641","0.0698","","","0.1108","0.1267","","","","","","1.02","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212115","9.4934","0.0014","10.3652","0.0017","14.878","0.002","85.775","0.003","84.341","0.003","79.168","0.003","1428.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 Mn N14 O S2 -","- C56 H46 Mn N14 O S2 -","- C56 H46 Mn N14 O S2 -","1","0.5","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.1251","0.0704","","","0.164","0.1842","","","","","","1.041","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212116","19.9086","0.0016","14.5963","0.0012","17.3028","0.0015","90","","91.45","0.002","90","","5026.4","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 N14 S2 Zn -","- C54 H40 N14 S2 Zn -","- C216 H160 N56 S8 Zn4 -","4","0.5","","Bai, Yan; Gao, Hui; Dang, Dong-Bin; Guo, Xiang-Yang; An, Bing; Shang, Wei-Li","A series of metal‒organic frameworks based on polydentate Schiff-base ligands derived from benzil dihydrazone: synthesis, crystal structures and luminescent properties","CrystEngComm","2010","12","5","1422","","10.1039/b919813j","","","0.71073","MoKα","","0.0747","0.042","","","0.088","0.0963","","","","","","1.021","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212117","11.9176","0.0009","12.9766","0.001","18.0229","0.0013","92.708","0.001","98.424","0.001","106.955","0.001","2625.4","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H37 Li0 N4 O44 P Sn W11 -","- C14 H37 N4 O44 P Sn W11 -","- C28 H74 N8 O88 P2 Sn2 W22 -","2","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Hardcastle, Kenneth I.; Hill, Craig L.","Mono-substituted Keggin, Wells-Dawson and {P2W21}-type polyoxometalates without positional disorder","CrystEngComm","2010","12","5","1518","","10.1039/b919934a","","","0.71073","MoKα","","0.0454","0.037","","","0.0915","0.0954","","","","","","1.048","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212118","13.828","0.001","20.9602","0.0015","24.262","0.0018","90","","93.688","0.001","90","","7017.5","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 K7 O75 P2 Sn W17 -","- C7 H5 K7 O75 P2 Sn W17 -","- C28 H20 K28 O300 P8 Sn4 W68 -","4","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Hardcastle, Kenneth I.; Hill, Craig L.","Mono-substituted Keggin, Wells-Dawson and {P2W21}-type polyoxometalates without positional disorder","CrystEngComm","2010","12","5","1518","","10.1039/b919934a","","","0.71073","MoKα","","0.0467","0.0359","","","0.0876","0.0931","","","","","","1.057","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212119","13.0559","0.0017","40.252","0.005","17.858","0.003","90","","108.789","0.002","90","","8885","2","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C16 H45 K N5 O78 P2 Rb0 Sn W20 -","- C16 H45 K N5 O78 P2 Sn W20 -","- C64 H180 K4 N20 O312 P8 Sn4 W80 -","4","1","","Cao, Rui; O'Halloran, Kevin P.; Hillesheim, Daniel A.; Hardcastle, Kenneth I.; Hill, Craig L.","Mono-substituted Keggin, Wells-Dawson and {P2W21}-type polyoxometalates without positional disorder","CrystEngComm","2010","12","5","1518","","10.1039/b919934a","","","0.71073","MoKα","","0.0765","0.0557","","","0.1221","0.1303","","","","","","1.12","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212120","10.636","0.0018","18.174","0.003","12.645","0.002","90","","104.343","0.002","90","","2368.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N7 O9 -","- C22 H21 N7 O9 -","- C88 H84 N28 O36 -","4","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0566","0.0403","","","0.0925","0.1012","","","","","","1.027","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212121","11.363","0.005","12.402","0.005","13.447","0.009","111.29","0.014","106.24","0.014","101.63","0.01","1594.9","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H39 N9 O9 -","- C27 H39 N9 O9 -","- C54 H78 N18 O18 -","2","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0853","0.0542","","","0.1409","0.1625","","","","","","1.033","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212122","10.5136","0.0008","10.8271","0.0008","11.7809","0.0008","91.09","0.002","93.523","0.002","106.484","0.001","1282.56","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N9 O10 -","- C21 H27 N9 O10 -","- C42 H54 N18 O20 -","2","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0533","0.0468","","","0.127","0.1338","","","","","","1.002","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212123","26.309","0.004","9.8633","0.0014","25.97","0.003","90","","112.137","0.002","90","","6242.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H44 Cl3 N6 O2.5 -","- C27 H43 Cl3 N6 O2.5 -","- C216 H344 Cl24 N48 O20 -","8","1","","Arunachalam, M.; Ghosh, Pradyut","Nitrate directed organized assemblies of protonated arene based tripodal receptors","CrystEngComm","2010","12","5","1621","","10.1039/b919950k","","","0.71073","MoKα","","0.0493","0.0362","","","0.0875","0.0939","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212125","6.8805","0.0006","11.6254","0.001","11.9614","0.0011","90","","96.229","0.002","90","","951.13","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(1,2,3-triMeIM)(MeCO3)","","","- C8 H14 N2 O3 -","- C8 H14 N2 O3 -","- C32 H56 N8 O12 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Rogers, Robin D.","New hydrogen carbonate precursors for efficient and byproduct-free syntheses of ionic liquids based on 1,2,3-trimethylimidazolium and N,N-dimethylpyrrolidinium cores","Green Chemistry","2010","12","3","491","","10.1039/b920003g","","","0.71073","MoKα","","0.051","0.0428","","","0.1044","0.1087","","","","","","1.164","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212126","7.479","0.002","13.289","0.004","9.636","0.003","90","","95.011","0.005","90","","954","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(1,2,3-triMeIM)(HCO3)H2O","","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C28 H56 N8 O16 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Rogers, Robin D.","New hydrogen carbonate precursors for efficient and byproduct-free syntheses of ionic liquids based on 1,2,3-trimethylimidazolium and N,N-dimethylpyrrolidinium cores","Green Chemistry","2010","12","3","491","","10.1039/b920003g","","","0.71073","MoKα","","0.1822","0.0719","","","0.1097","0.1407","","","","","","1.003","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212127","6.6199","0.0006","13.9451","0.0012","9.2587","0.0008","90","","101.76","0.002","90","","836.78","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(N,N-diMePyr)(HCO3)","","","- C7 H15 N O3 -","- C7 H15 N O3 -","- C28 H60 N4 O12 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Rogers, Robin D.","New hydrogen carbonate precursors for efficient and byproduct-free syntheses of ionic liquids based on 1,2,3-trimethylimidazolium and N,N-dimethylpyrrolidinium cores","Green Chemistry","2010","12","3","491","","10.1039/b920003g","","","0.71073","MoKα","","0.0445","0.0356","","","0.089","0.0937","","","","","","1.029","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212128","13.0165","0.0005","9.4458","0.0005","18.5173","0.0007","90","","90","","90","","2276.73","0.17","140","2","140","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H17 I N2 -","- C9 H17 I N2 -","- C72 H136 I8 N16 -","8","1","","Cui, Yugang; Biondi, Ilaria; Chaubey, Manish; Yang, Xue; Fei, Zhaofu; Scopelliti, Rosario; Hartinger, Christian G.; Li, Yongdan; Chiappe, Cinzia; Dyson, Paul J.","Nitrile-functionalized pyrrolidinium ionic liquids as solvents for cross-coupling reactions involving in situ generated nanoparticle catalyst reservoirs.","Physical chemistry chemical physics : PCCP","2010","12","8","1834","1841","10.1039/b920025h","","","0.71073","MoKα","","0.0409","0.0302","","","0.0641","0.0719","","","","","","1.135","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212129","22.8333","0.0006","25.7253","0.0006","6.42264","0.00016","90","","105.895","0.003","90","","3628.37","0.17","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H40 Cu3 F24 N8 O14 -","- C60 H28 Cu3 F24 N8 O8 -","- C120 H56 Cu6 F48 N16 O16 -","2","0.25","","Seidel, Rüdiger W.; Oppel, Iris M.","Assembly of a rhomboidally distorted (4,4)-net based polymeric sheet structure bearing copper(ii) 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2010","12","4","1051","","10.1039/b920109b","","","1.54178","CuKα","","0.0567","0.0416","","","0.0986","0.1023","","","","","","0.902","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212133","16.293","0.003","15.589","0.003","16.355","0.003","90","","93.92","0.03","90","","4144.3","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 N8 O12 Zn3 -","- C46 H32 N8 O12 Zn3 -","- C184 H128 N32 O48 Zn12 -","4","1","","Luo, Feng; Luo, Ming-biao; Liu, Yun-hai","Temperature-controlled structure diversity observed in the Zn(ii)-oxalate-4,4′-bipyridine three-member system","CrystEngComm","2010","12","6","1750","","10.1039/b920320f","","","0.71073","MoKα","","0.1341","0.1072","","","0.287","0.2994","","","","","","1.092","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212134","13.3491","0.0004","9.3741","0.0003","13.6106","0.0004","90","","96.141","0.002","90","","1693.4","0.09","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","SP52","","","- C14 H12 Cd2 N2 O11 -","- C14 H12 Cd2 N2 O11 -","- C56 H48 Cd8 N8 O44 -","4","1","","Liu, Yen-Hsiang; Fang, Hsiao-Ping; Jhang, Pei-Ci; Peng, Chia-Chien; Chien, Po-Hsiu; Yang, Hsiao-Ching; Huang, Yun-Chieh; Lo, Yu-Lin","A new Cd4-2,4-pyridinedicarboxylate layered coordination polymer consisting of intralayer cavities and reversible network self-adaptation upon dehydration/moisture-absorption","CrystEngComm","2010","12","6","1779","","10.1039/b920419a","","x-ray","0.71073","MoKα","","0.0551","0.0415","","","0.1007","0.1314","","","","","","1.163","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212135","5.8827","0.0012","17.349","0.003","18.563","0.005","90","","103.9","0.03","90","","1839","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-(N,N-diethylanilin-4-yl)-4,6-bis(pyrazol-1-yl)-1,3,5- triazine","","","- C19 H20 N8 -","- C19 H20 N8 -","- C76 H80 N32 -","4","1","","Xue, Fumin; Ma, Yan; Fu, Limin; Hao, Rui; Shao, Guangsheng; Tang, Minxian; Zhang, Jianping; Wang, Yuan","A europium complex with enhanced long-wavelength sensitized luminescent properties.","Physical chemistry chemical physics : PCCP","2010","12","13","3195","3202","10.1039/b920448b","","","0.71073","MoKα","","0.1024","0.0891","","","0.1823","0.1885","","","","","","1.33","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212136","16.807","0.003","16.647","0.003","7.6875","0.0015","90","","90","","90","","2150.9","0.7","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H28 N8 -","- C23 H28 N8 -","- C92 H112 N32 -","4","0.5","","Xue, Fumin; Ma, Yan; Fu, Limin; Hao, Rui; Shao, Guangsheng; Tang, Minxian; Zhang, Jianping; Wang, Yuan","A europium complex with enhanced long-wavelength sensitized luminescent properties.","Physical chemistry chemical physics : PCCP","2010","12","13","3195","3202","10.1039/b920448b","","","0.71073","MoKα","","0.0961","0.0568","","","0.1517","0.1644","","","","","","0.875","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212137","16.834","0.003","12.107","0.002","17.066","0.003","90","","114.63","0.03","90","","3161.8","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(tmen)(acac)][B(Ph)4]","Nickel(II)tetramethylethylenediaminacetylacetonate tetraphenyloborate","","- C35 H43 B N2 Ni O2 -","- C35 H43 B N2 Ni O2 -","- C140 H172 B4 N8 Ni4 O8 -","4","1","","Bartosik, Joanna; Mudring, Anja-Verena","[Ni(tmen)(acac)][B(Ph)4] a probe for the anion basicity of ionic liquids.","Physical chemistry chemical physics : PCCP","2010","12","16","4005","4011","10.1039/b920530f","","","0.71073","MoKα","","0.168","0.0498","","","0.075","0.0958","","","","","","0.752","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212138","15.4573","0.0008","20.2952","0.001","35.997","0.0017","101.17","0.003","102.112","0.002","98.015","0.002","10639.4","0.9","100","1","100","1","","","","","","","","3","P 1","P 1","1","","","","- C318.5 H634.5 O281.2 -","- C318.5 H634.438 O281.16 -","- C318.5 H634.438 O281.16 -","1","1","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.1347","0.0759","","","0.1922","0.2323","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212139","19.156","0.004","24.075","0.005","32.596","0.007","90","","90","","90","","15033","5","173","2","173","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C109.15 H140 O90.18 -","- C109.155 H140 O90.185 -","- C436.62 H560 O360.74 -","4","0.5","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.1023","0.0512","","","0.111","0.1269","","","","","","0.879","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212140","29.4201","0.0001","29.8907","0.0002","30.6856","0.0003","90","","90","","90","","26984.5","0.3","173","2","173","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C208 H403.4 O171.7 -","- C208 H406.6 O171.3 -","- C832 H1626.4 O685.2 -","4","1","","Enright, Gary D.; Udachin, Konstantin A.; Ripmeester, John A.","Complex packing motifs templated by a pseudo-spherical guest: the structure of β-cyclodextrin‒adamantane inclusion compounds","CrystEngComm","2010","12","5","1450","","10.1039/b920581k","","","0.71073","MoKα","","0.113","0.0777","","","0.1654","0.1859","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212141","13.594","0.0014","10.711","0.0007","11.95","0.0011","90","","93.87","0.05","90","","1736","0.3","298","2","298","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 Na2 Ni O12 -","- C14 H14 N2 Na2 Ni O12 -","- C56 H56 N8 Na8 Ni4 O48 -","4","1","","Calderon-Casado, Ainhoa; Barandika, Gotzone; Bazan, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Unprecedented coordination modes for PDC (pyridine-2,5-dicarboxylate) in polymorphic 3D heterobimetallic compounds α- and β-[MNa2(PDC)2(H2O)4], with M = Ni, Co","CrystEngComm","2010","12","6","1784","","10.1039/b920624h","","","0.71073","MoKα","","0.0927","0.0358","","","0.0428","0.0502","","","","","","0.665","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212142","9.9953","0.0007","10.6963","0.0007","13.3207","0.0007","90.574","0.005","101.757","0.005","113.449","0.006","1272.53","0.16","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C42 H42 N6 Na6 Ni3 O36 -","- C42 H42 N6 Na6 Ni3 O36 -","- C42 H42 N6 Na6 Ni3 O36 -","1","0.5","","Calderon-Casado, Ainhoa; Barandika, Gotzone; Bazan, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Unprecedented coordination modes for PDC (pyridine-2,5-dicarboxylate) in polymorphic 3D heterobimetallic compounds α- and β-[MNa2(PDC)2(H2O)4], with M = Ni, Co","CrystEngComm","2010","12","6","1784","","10.1039/b920624h","","","0.71073","MoKα","","0.07","0.0368","","","0.066","0.0691","","","","","","0.833","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212143","8.2948","0.0007","9.4737","0.001","9.7296","0.0008","102.028","0.006","100.085","0.006","106.708","0.006","693.31","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cr2 K4 O24 -","- C12 H10 Cr2 K4 O24 -","- C12 H10 Cr2 K4 O24 -","1","0.5","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","Mokα","","0.0568","0.0379","","","0.0907","0.0964","","","","","","1.04","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212144","16.7161","0.0004","11.3208","0.001","20.1947","0.0014","90","","102.637","0.005","90","","3729.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H98 Cl4 Cr2 Cu4 N16 O42 -","- C36 H82 Cl4 Cr2 Cu4 N16 O42 -","- C72 H164 Cl8 Cr4 Cu8 N32 O84 -","2","0.5","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","Mokα","","0.1193","0.0629","","","0.1682","0.1997","","","","","","1.045","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212145","9.1804","0.0005","9.6532","0.0005","13.0261","0.0006","106.313","0.004","103.821","0.004","95.435","0.005","1059.48","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H64 Cr2 N8 Ni O26 -","- C24 H48 Cr2 N8 Ni O26 -","- C24 H48 Cr2 N8 Ni O26 -","1","0.5","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","Mokα","","0.1165","0.0542","","","0.116","0.1368","","","","","","1.027","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212146","8.6708","0.0017","8.6708","0.0029","11.4236","0.001","90","","90","","120","","743.8","0.3","293","2","293","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C7 H21 Gd O13 -","- C7 H7 Gd O13 -","- C14 H14 Gd2 O26 -","2","0.333333","","Delgado, Fernando S.; Sanchiz, Joaquín; López, Trinidad; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Building-block process for the synthesis of new chromium(iii) malonate complexes","CrystEngComm","2010","12","10","2711","","10.1039/b920650g","","x-ray","0.71073","MoKα","","0.0291","0.0203","","","0.0413","0.044","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212147","8.223","0.0011","8.223","0.0011","13.03","0.0018","90","","90","","120","","763.02","0.18","100","2","100","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H20 Cl4 Fe N -","- C8.96 H20.22 Cl4 Fe N -","- C17.92 H40.44 Cl8 Fe2 N2 -","2","0.166667","","Krieger, Brenna M.; Lee, Heather Y.; Emge, Thomas J.; Wishart, James F.; Castner, Jr, Edward W","Ionic liquids and solids with paramagnetic anions.","Physical chemistry chemical physics : PCCP","2010","12","31","8919","8925","10.1039/b920652n","","","0.71073","MoKα","","0.1059","0.1026","","","0.2718","0.2759","","","","","","1.096","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212148","15.366","0.002","14.861","0.002","17.361","0.003","90","","90","","90","","3964.5","1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H30 Cl4 Fe N -","- C13 H30 Cl4 Fe N -","- C104 H240 Cl32 Fe8 N8 -","8","2","","Krieger, Brenna M.; Lee, Heather Y.; Emge, Thomas J.; Wishart, James F.; Castner, Jr, Edward W","Ionic liquids and solids with paramagnetic anions.","Physical chemistry chemical physics : PCCP","2010","12","31","8919","8925","10.1039/b920652n","","","0.71073","MoKα","","0.0488","0.0393","","","0.0854","0.0896","","","","","","1.002","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212149","11.3213","0.0008","11.3297","0.0008","21.2344","0.0014","102.188","0.001","93.507","0.001","99.41","0.001","2613.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H87 N10 O23.5 Zn5 -","- C120 H84 N10 O23.432 Zn5 -","- C120 H84 N10 O23.432 Zn5 -","1","0.5","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.067","0.0544","","","0.1444","0.154","","","","","","1.057","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212150","11.623","0.003","19.684","0.005","10.774","0.002","90","","93.452","0.004","90","","2460.5","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N2 O5.5 Zn -","- C24 H18 N2 O5.5 Zn -","- C96 H72 N8 O22 Zn4 -","4","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0922","0.0669","","","0.2173","0.2455","","","","","","1.001","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212151","10.998","0.008","13.227","0.01","14.682","0.011","90","","93.401","0.013","90","","2132","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C96 H64 N8 O16 Zn4 -","4","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0435","0.0357","","","0.1104","0.1154","","","","","","1.077","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212152","16.482","0.002","8.7429","0.0011","20.933","0.003","90","","112.531","0.002","90","","2786.2","0.6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H26 N2 O8 Zn2 -","- C31 H26 N2 O8.223 Zn2 -","- C124 H104 N8 O32.892 Zn8 -","4","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0331","0.0277","","","0.0693","0.0731","","","","","","1.02","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212153","21.1155","0.0016","10.8732","0.0008","12.6378","0.001","90","","95.168","0.001","90","","2889.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 N O4 Zn -","- C16 H10 N O4 Zn -","- C128 H80 N8 O32 Zn8 -","8","1","","Niu, Cao-Yuan; Zheng, Xian-Fu; He, Yong; Feng, Zhi-Qiang; Kou, Chun-Hong","Tuning of unusual secondary ligands to construct fluorescent zinc coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D chain to interdigital or porous 2D layers and interpenetrated 3D frameworks","CrystEngComm","2010","12","10","2847","","10.1039/b920737f","","","0.71073","MoKα","","0.0288","0.024","","","0.0646","0.067","","","","","","1.055","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212154","12.61","0.003","23.552","0.006","14.121","0.004","90","","90","","90","","4193.8","1.9","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H52 N12 O12 S Zn -","- C34 H52 N12 O12 S Zn -","- C136 H208 N48 O48 S4 Zn4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0679","0.0395","","","0.0998","0.1127","","","","","","1.028","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212155","12.7357","0.0012","23.931","0.002","14.2117","0.0013","90","","90","","90","","4331.4","0.7","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H52 Cd N12 O12 S -","- C34 H52 Cd N12 O12 S -","- C136 H208 Cd4 N48 O48 S4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0657","0.0344","","","0.0777","0.0915","","","","","","1.016","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212156","13.1181","0.0014","23.502","0.002","14.1772","0.0015","90","","90","","90","","4370.9","0.8","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H56 N12 O12 S Zn -","- C36 H32 N12 O12 S Zn -","- C144 H128 N48 O48 S4 Zn4 -","4","0.5","","Wu, Biao; Liang, Jianjun; Zhao, Yuxin; Li, Minrui; Li, Shaoguang; Liu, Yanyan; Zhang, Yongping; Yang, Xiao-Juan","Sulfate encapsulation in three-fold interpenetrated metal‒organic frameworks with bis(pyridylurea) ligands","CrystEngComm","2010","12","7","2129","","10.1039/b920777e","","","0.71073","MoKα","","0.0803","0.0559","","","0.1672","0.186","","","","","","1.079","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212157","11.746","0.0008","7.1253","0.0005","12.3756","0.0009","90","","96.584","0.001","90","","1028.93","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H23 N O2 S2 -","- C23 H23 N O2 S2 -","- C46 H46 N2 O4 S4 -","2","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0512","0.0429","","","0.0953","0.0991","","","","","","1.046","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212158","16.974","0.0018","9.2667","0.001","22.0941","0.0017","90","","126.589","0.005","90","","2790.4","0.5","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Ag Cl2 F6 N O2 P S2 -","- C24 H25 Ag Cl2 F6 N O2 P S2 -","- C96 H100 Ag4 Cl8 F24 N4 O8 P4 S8 -","4","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.118","0.0887","","","0.1865","0.1993","","","","","","1.14","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212159","9.6205","0.0006","19.9138","0.0012","12.7424","0.0008","90","","105.035","0.001","90","","2357.6","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Ag Cl N O6 S2 -","- C23 H23 Ag Cl N O6 S2 -","- C92 H92 Ag4 Cl4 N4 O24 S8 -","4","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0397","0.0329","","","0.0767","0.0824","","","","","","1.058","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212160","13.511","0.0012","13.8785","0.0012","13.9628","0.0012","69.59","0.002","66.22","0.001","77.622","0.002","2237.2","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H46 Ag F6 N2 O4 P S4 -","- C46 H46 Ag F6 N2 O4 P S4 -","- C92 H92 Ag2 F12 N4 O8 P2 S8 -","2","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0538","0.0468","","","0.1036","0.1072","","","","","","1.154","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212161","30.1951","0.0015","12.3606","0.0006","13.921","0.0007","90","","90","","90","","5195.7","0.4","173","2","173","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C23 H23 Cl2 Hg N O10 S2 -","- C23 H23 Cl2 Hg N O10 S2 -","- C184 H184 Cl16 Hg8 N8 O80 S16 -","8","0.5","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0278","0.024","","","0.0585","0.0602","","","","","","1.111","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212162","10.2253","0.0007","8.3445","0.0006","29.2722","0.0018","90","","101.355","0.003","90","","2448.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 Hg N O3 S2 -","- C23 H25 Cl2 Hg N O3 S2 -","- C92 H100 Cl8 Hg4 N4 O12 S8 -","4","1","","Kim, Hyun Jee; Sultana, Kaniz Fatima; Lee, Jai Young; Lee, Shim Sung","Endo- and/or exocyclic silver(i) and mercury(ii) complexes of an NO2S2-macrocycle: effect of ligand ratio and anion","CrystEngComm","2010","12","5","1494","","10.1039/b921033d","","","0.71073","MoKα","","0.0924","0.0545","","","0.1296","0.1544","","","","","","1.059","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212165","10.807","0.0011","15.6746","0.0016","13.6445","0.0014","90","","90.318","0.002","90","","2311.3","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 F6 N3 O4 S2 -","- C20 H17 F6 N3 O4 S2 -","- C80 H68 F24 N12 O16 S8 -","4","1","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Youngs, Tristan G. A.; Bowron, Daniel T.; Teat, Simon J.","Solid and liquid charge-transfer complex formation between 1-methylnaphthalene and 1-alkyl-cyanopyridinium bis{(trifluoromethyl)sulfonyl}imide ionic liquids.","Physical chemistry chemical physics : PCCP","2010","12","8","1842","1853","10.1039/b921160h","","","0.7749","synchrotron","","0.0906","0.0725","","","0.2165","0.2368","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7212166","10.8851","0.0013","15.9998","0.0019","13.8814","0.0017","90","","91.766","0.003","90","","2416.4","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F6 N3 O4 S2 -","- C21 H19 F6 N3 O4 S2 -","- C84 H76 F24 N12 O16 S8 -","4","1","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Youngs, Tristan G. A.; Bowron, Daniel T.; Teat, Simon J.","Solid and liquid charge-transfer complex formation between 1-methylnaphthalene and 1-alkyl-cyanopyridinium bis{(trifluoromethyl)sulfonyl}imide ionic liquids.","Physical chemistry chemical physics : PCCP","2010","12","8","1842","1853","10.1039/b921160h","","","0.7749","synchrotron","","0.0847","0.0734","","","0.2094","0.2217","","","","","","1.051","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7212167","18.395","0.003","5.3096","0.0009","11.993","0.002","90","","109.004","0.003","90","","1107.5","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Zhan, Shun-Ze; Peng, Rong; Lin, Shi-Hong; Ng, Seik Weng; Li, Dan","An unprecedented 2-D CuSCN coordination network containing both regular and irregular [Cu3(SCN)3] rings supported by a tridentate N-donor ligand","CrystEngComm","2010","12","5","1385","","10.1039/b921264g","","","0.71073","MoKα","","0.052","0.0458","","","0.1076","0.111","","","","","","1.077","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212168","5.7798","0.0006","8.7059","0.0009","10.3704","0.0011","83.7","0.002","84.555","0.002","76.231","0.002","502.49","0.09","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H10 Cu3 N7 S3 -","- C16 H10 Cu3 N7 S3 -","- C16 H10 Cu3 N7 S3 -","1","1","","Zhan, Shun-Ze; Peng, Rong; Lin, Shi-Hong; Ng, Seik Weng; Li, Dan","An unprecedented 2-D CuSCN coordination network containing both regular and irregular [Cu3(SCN)3] rings supported by a tridentate N-donor ligand","CrystEngComm","2010","12","5","1385","","10.1039/b921264g","","","0.71073","MoKα","","0.0348","0.0341","","","0.0873","0.0879","","","","","","1.036","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212169","12.8887","0.0008","4.97","0.0003","20.9607","0.0019","90","","91.546","0.004","90","","1342.19","0.17","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.71073","MoKα","","0.0947","0.0751","","0.1382","0.1313","0.1382","","","","","","1.0989","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212170","12.7925","0.0011","4.9356","0.0005","20.415","0.005","90","","92.266","0.014","90","","1288","0.4","293","","293","","","","300000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.1055","0.0541","","0.1282","0.1065","0.1282","","","","","","0.9885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212171","12.5438","0.0006","4.8464","0.0003","19.203","0.003","90","","93.648","0.007","90","","1165","0.2","293","","293","","","","2000000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0675","0.0465","","0.1099","0.1023","0.1099","","","","","","0.9987","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212172","12.3706","0.0007","4.7918","0.0003","18.398","0.003","90","","94.078","0.008","90","","1087.8","0.2","293","","293","","","","4000000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0722","0.0503","","0.1193","0.1116","0.1193","","","","","","0.9982","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212173","12.2791","0.0007","4.7643","0.0003","17.9649","0.0017","90","","93.96","0.004","90","","1048.46","0.13","293","","293","","","","5100000","","","","","4","I 1 2/a 1","-I 2ya","15","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0657","0.0477","","0.1239","0.1161","0.1239","","","","","","1.0462","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212174","3.8938","0.0004","5.5612","0.0006","28.566","0.008","90","","90","","90","","618.6","0.2","293","","293","","","","200000","","","","","4","P 21 21 21","P 2ac 2ab","19","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0932","0.0493","","0.1261","0.1062","0.1261","","","","","","1.0518","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212175","4.9073","0.0004","24.24","0.002","9.3569","0.0008","90","","93.236","0.008","90","","1111.26","0.16","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9-benzyl-6-chloropurine","","","- C12 H9 Cl N4 -","- C12 H9 Cl N4 -","- C48 H36 Cl4 N16 -","4","1","","Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal","Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects.","Physical chemistry chemical physics : PCCP","2010","12","19","5126","5139","10.1039/b921383j","","","0.71069","MoKα","","0.0693","0.0665","","","0.1562","0.1574","","","","","","1.071","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212176","14.719","0.0014","4.9706","0.0004","15.8872","0.0015","90","","111.317","0.011","90","","1082.82","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-benzyl-6-chloropurine","","","- C12 H9 Cl N4 -","- C12 H9 Cl N4 -","- C48 H36 Cl4 N16 -","4","1","","Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal","Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects.","Physical chemistry chemical physics : PCCP","2010","12","19","5126","5139","10.1039/b921383j","","","0.71073","MoKα","","0.0572","0.0522","","","0.1432","0.1509","","","","","","1.039","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212177","15.2864","0.0012","4.9202","0.0003","16.7267","0.0014","90","","114.466","0.01","90","","1145.09","0.17","100","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-benzyl-6-iodopurine","","","- C12 H9 I N4 -","- C12 H9 I N4 -","- C48 H36 I4 N16 -","4","1","","Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal","Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects.","Physical chemistry chemical physics : PCCP","2010","12","19","5126","5139","10.1039/b921383j","","","0.71069","MoKα","","0.0245","0.0213","","","0.0532","0.0547","","","","","","1.06","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212178","14.688","0.003","12.574","0.003","12.574","0.003","90","","90","","90","","2322.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1‒(2‒hydroxyphenyl)ethan‒1‒one thiosemicarbazone methanol slovate","1‒(2‒hydroxyphenyl)ethan‒1‒one thiosemicarbazone methanol slovate","","- C10 H15 N3 O2 S -","- C10 H15 N3 O2 S -","- C80 H120 N24 O16 S8 -","8","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.1393","0.0527","","","0.0878","0.1133","","","","","","0.954","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212179","8.914","0.005","13.613","0.005","18.028","0.006","90","","90","","90","","2187.6","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1-(2-hydroxyphenyl)ethan-1-one N-methylthiosemicarbazone","1-(2-hydroxyphenyl)ethan-1-one N-methylthiosemicarbazone","","- C10 H13 N3 O S -","- C10 H13 N3 O S -","- C80 H104 N24 O8 S8 -","8","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0432","0.0306","","","0.0746","0.0803","","","","","","1.045","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212180","12.863","0.002","7.992","0.003","22.218","0.003","90","","118.65","0.02","90","","2004.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl) ethan-1-one thiosemicarbazone di dimethylaminium cation sulfate","1-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl) ethan-1-one thiosemicarbazone di dimethylaminium cation sulfate","","- C13 H27 N5 O7 S2 -","- C13 H27 N5 O7 S2 -","- C52 H108 N20 O28 S8 -","4","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0836","0.0423","","","0.0908","0.1094","","","","","","1.029","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212181","9.827","0.0001","7.2917","0.0001","16.3656","0.0003","90","","91.729","0.001","90","","1172.15","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-(2-hydroxyphenyl)ethan-1-one N,N-dimethylthiosemicarbazone","1-(2-hydroxyphenyl)ethan-1-one N,N-dimethylthiosemicarbazone","","- C11 H15 N3 O S -","- C11 H15 N3 O S -","- C44 H60 N12 O4 S4 -","4","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0339","0.0299","","","0.082","0.0852","","","","","","1.051","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212182","5.5243","0.0002","10.5902","0.0004","12.2174","0.0005","73.835","0.003","86.048","0.003","87.208","0.003","684.54","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1-(2-hydroxyphenyl)ethan-1-one N-phenylthiosemicarbazone","1-(2-hydroxyphenyl)ethan-1-one N-phenylthiosemicarbazone","","- C15 H15 N3 O S -","- C15 H15 N3 O S -","- C30 H30 N6 O2 S2 -","2","1","","Krasowska, M.; Kochel, A.; Filarowski, A.","The conformational analysis of 2-hydroxyaryl Schiff thiosemicarbazones","CrystEngComm","2010","12","6","1955","","10.1039/b921402j","","","0.71073","MoKα","","0.0453","0.032","","","0.0812","0.0854","","","","","","1.046","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212183","10.5932","0.0008","11.4042","0.0008","11.6692","0.0009","90","","90","","90","","1409.72","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O S -","- C17 H16 O S -","- C68 H64 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0636","0.0561","","","0.1417","0.148","","","","","","1.053","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212184","9.7552","0.0006","11.0921","0.0007","12.3352","0.0008","90","","90","","90","","1334.74","0.15","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O S -","- C17 H16 O S -","- C68 H64 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0342","0.0325","","","0.0835","0.0842","","","","","","1.044","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212185","7.7637","0.0006","8.5895","0.0006","12.785","0.0009","105.386","0.001","98.584","0.001","105.804","0.001","768.08","0.1","115","2","115","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 N O2 S -","- C20 H13 N O2 S -","- C40 H26 N2 O4 S2 -","2","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0452","0.0406","","","0.1033","0.1067","","","","","","1.035","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212186","7.6159","0.0005","10.3651","0.0007","17.2948","0.0012","90","","90","","90","","1365.24","0.16","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0323","0.0303","","","0.0754","0.0762","","","","","","1","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212187","6.8238","0.0008","6.9867","0.0008","8.9138","0.0009","82.198","0.007","81.8","0.007","81.286","0.008","412.93","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H9 N O6 P2 Pb -","- C3 H9 N O6 P2 Pb -","- C6 H18 N2 O12 P4 Pb2 -","2","1","","Du, Zi-Yi; Sun, Yu-Hui; Zhang, Xiu-Zhi; Luo, Shu-Fen; Xie, Yong-Rong; Wan, Dong-Bei","Novel double-chained or double-layered metal diphosphonates: synergic coordination effect of two closely linked phosphonate moieties promoted by large metal ionic radius","CrystEngComm","2010","12","6","1774","","10.1039/b921440b","","","0.71073","MoKα","","0.0281","0.0251","","","0.0562","0.0578","","","","","","1.084","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212188","8.9531","0.0003","9.17","0.0003","10.6859","0.0003","102.694","0.001","91.852","0.001","90.551","0.001","855.3","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 Ba2 N2 O12 P4 -","- C6 H18 Ba2 N2 O12 P4 -","- C12 H36 Ba4 N4 O24 P8 -","2","1","","Du, Zi-Yi; Sun, Yu-Hui; Zhang, Xiu-Zhi; Luo, Shu-Fen; Xie, Yong-Rong; Wan, Dong-Bei","Novel double-chained or double-layered metal diphosphonates: synergic coordination effect of two closely linked phosphonate moieties promoted by large metal ionic radius","CrystEngComm","2010","12","6","1774","","10.1039/b921440b","","","0.71073","MoKα","","0.0266","0.0248","","","0.0683","0.0694","","","","","","1.067","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212189","9.782","0.002","13.609","0.003","17.742","0.003","68.476","0.006","82.789","0.007","71.747","0.005","2086.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H32 Mn3 N4 O14 -","- C44 H32 Mn3 N4 O14 -","- C88 H64 Mn6 N8 O28 -","2","1","","Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Hui; Wang, Mei; Zhang, Chun-Xia; Chen, Chang-Neng; Liu, Qiu-Tian","A trimanganese cluster-based 2D layer framework with facile single-crystal-to-single-crystal transformation to afford a 1D chain structure","CrystEngComm","2010","12","5","1467","","10.1039/b921483f","","","0.71073","MoKα","","","0.0534","","","0.1475","0.1635","","","","","","1.006","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212190","12.596","0.005","9.623","0.003","15.059","0.005","90","","95.715","0.007","90","","1816.2","1.1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Mn N2 O7 -","- C18 H18 Mn N2 O7 -","- C72 H72 Mn4 N8 O28 -","4","1","","Ma, Cheng-Bing; Hu, Ming-Qiang; Chen, Hui; Wang, Mei; Zhang, Chun-Xia; Chen, Chang-Neng; Liu, Qiu-Tian","A trimanganese cluster-based 2D layer framework with facile single-crystal-to-single-crystal transformation to afford a 1D chain structure","CrystEngComm","2010","12","5","1467","","10.1039/b921483f","","","0.71073","MoKα","","","0.0316","","","0.086","0.0911","","","","","","1","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212194","18.733","0.002","10.2319","0.0014","20.283","0.003","90","","90","","90","","3887.7","0.9","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Mn(M4)(dmf)]-1/2(DMF)","","- C18.5 H18.5 Mn N3.5 O6.5 -","- C18.5 H18.5 Mn N3.5 O6.5 -","- C148 H148 Mn8 N28 O52 -","8","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71075","MoKα","","0.0731","0.0463","","","0.0987","0.1091","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212195","7.5082","0.0008","10.0409","0.001","13.2633","0.0013","71.085","0.002","77.809","0.001","73.521","0.002","899.19","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Mn N2 O11 -","- C14 H20 Mn N2 O11 -","- C28 H40 Mn2 N4 O22 -","2","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0409","0.0384","","","0.1022","0.1045","","","","","","1.069","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212196","8.0877","0.0011","9.9836","0.0014","10.5561","0.0014","64.586","0.002","84.224","0.001","82.821","0.002","762.78","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Co N2 O8 -","- C14 H14 Co N2 O8 -","- C28 H28 Co2 N4 O16 -","2","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0477","0.0418","","","0.1036","0.1075","","","","","","1.048","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212197","7.6371","0.001","9.699","0.0012","11.8615","0.0014","104.913","0.002","104.438","0.001","92.998","0.002","815.81","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H12 Co N3 O5 -","- C19 H12 Co N3 O5 -","- C38 H24 Co2 N6 O10 -","2","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0406","0.0361","","","0.0926","0.095","","","","","","1.036","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212198","7.698","0.005","17.961","0.012","12.777","0.009","90","","102.005","0.009","90","","1728","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Co N4 O7 -","- C17 H16 Co N4 O7 -","- C68 H64 Co4 N16 O28 -","4","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71073","MoKα","","0.0563","0.0471","","","0.1317","0.1362","","","","","","1.045","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212199","7.435","0.003","18.746","0.005","12.541","0.005","90","","101.762","0.014","90","","1711.2","1.1","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cu(M4)(Im)(H2O)]-H2O","","- C17 H16 Cu N4 O7 -","- C17 H16 Cu N4 O7 -","- C68 H64 Cu4 N16 O28 -","4","1","","Chen, Man-Sheng; Bai, Zheng-Shuai; Okamura, Taka-aki; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin; Ueyama, Norikazu","Metal‒organic frameworks with pyridyl- and carboxylate-containing ligands: syntheses, structures and properties","CrystEngComm","2010","12","6","1935","","10.1039/b921850e","","","0.71075","MoKα","","0.0371","0.032","","","0.0739","0.0765","","","","","","1.04","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212200","11.872","0.002","14.84","0.003","20.235","0.004","88.91","0.03","89.18","0.03","69.63","0.03","3341.4","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H57 As6 Cu2.5 N10 O45 V15 -","- C15 H50 As6 Cu2.5 N10 O45 V15 -","- C30 H100 As12 Cu5 N20 O90 V30 -","2","1","","Shi, Shu-Yun; Chen, Yan; Xu, Jia-Ning; Zou, Yong-Cun; Cui, Xiao-Bing; Wang, Yan; Wang, Tie-Gang; Xu, Ji-Qing; Gao, Zhong-Min","Zero- and two-dimensional structures based on AsIII‒VIV polyoxometalates","CrystEngComm","2010","12","6","1949","","10.1039/b921928e","","","0.71073","MoKα","","0.0954","0.0637","","","0.1728","0.197","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212201","36.286","0.0017","36.286","0.0017","21.425","0.003","90","","90","","120","","24430","4","273","2","273","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C6 H32 As8 N4 O46 V14 -","- C6 H24 As8 N4 O46 V14 -","- C108 H432 As144 N72 O828 V252 -","18","1","","Shi, Shu-Yun; Chen, Yan; Xu, Jia-Ning; Zou, Yong-Cun; Cui, Xiao-Bing; Wang, Yan; Wang, Tie-Gang; Xu, Ji-Qing; Gao, Zhong-Min","Zero- and two-dimensional structures based on AsIII‒VIV polyoxometalates","CrystEngComm","2010","12","6","1949","","10.1039/b921928e","","","0.71073","MoKα","","0.082","0.0546","","","0.1341","0.1482","","","","","","1.015","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212202","15.1593","0.0003","8.54934","0.00014","12.6684","0.0003","90","","103.13","0.002","90","","1598.93","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H23 Cl N2 O Si2 -","- C10 H23 Cl N2 O Si2 -","- C40 H92 Cl4 N8 O4 Si8 -","4","1","","Niedermeyer, Heiko; Ab Rani, Mohd Azri; Lickiss, Paul D.; Hallett, Jason P.; Welton, Tom; White, Andrew J. P.; Hunt, Patricia A.","Understanding siloxane functionalised ionic liquids.","Physical chemistry chemical physics : PCCP","2010","12","8","2018","2029","10.1039/b922011a","","","0.71073","MoKα","","0.0414","0.0317","","","0.0893","0.0914","","","","","","1.033","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212203","9.3776","0.0011","9.5002","0.001","9.7109","0.0012","70.32","0.011","66.525","0.012","89.942","0.009","738.25","0.18","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 F N2 -","- C18 H17 F N2 -","- C36 H34 F2 N4 -","2","1","","Dyakonenko, Viktoriya V.; Maleev, Andrey V.; Zbruyev, Alexander I.; Chebanov, Valentin A.; Desenko, Sergey M.; Shishkin, Oleg V.","Layered crystal structure of bicyclic aziridines as revealed by analysis of intermolecular interactions energy","CrystEngComm","2010","12","6","1816","","10.1039/b922131j","","","0.71069","MoKα","","0.052","0.0431","","","0.11","0.1175","","","","","","1.108","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212204","9.407","0.0011","10.3158","0.0011","10.7475","0.0012","116.008","0.011","97.704","0.009","104.225","0.01","872.9","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Cl I N2 -","- C18 H16 Cl I N2 -","- C36 H32 Cl2 I2 N4 -","2","1","","Dyakonenko, Viktoriya V.; Maleev, Andrey V.; Zbruyev, Alexander I.; Chebanov, Valentin A.; Desenko, Sergey M.; Shishkin, Oleg V.","Layered crystal structure of bicyclic aziridines as revealed by analysis of intermolecular interactions energy","CrystEngComm","2010","12","6","1816","","10.1039/b922131j","","","0.71073","MoKα","","0.0488","0.0376","","","0.1055","0.1147","","","","","","1.072","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212205","10.199","0.002","16.027","0.002","10.752","0.003","90","","117.549","0.002","90","","1558.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br N2 -","- C18 H17 Br N2 -","- C72 H68 Br4 N8 -","4","1","","Dyakonenko, Viktoriya V.; Maleev, Andrey V.; Zbruyev, Alexander I.; Chebanov, Valentin A.; Desenko, Sergey M.; Shishkin, Oleg V.","Layered crystal structure of bicyclic aziridines as revealed by analysis of intermolecular interactions energy","CrystEngComm","2010","12","6","1816","","10.1039/b922131j","","","0.71069","MoKα","","0.0652","0.0594","","","0.1567","0.1695","","","","","","1.108","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212206","20.1966","0.0006","20.1966","0.0006","25.1389","0.0015","90","","90","","120","","8880.4","0.6","293","2","163.15","","","","","","","","","5","R -3 :H","-R 3","148","(Ag2Pra2biim)5.33H2O","","","- C12 H22.67 Ag2 N4 O9.33 -","- C12 H22.67 Ag2 N4 O9.33333 -","- C216 H408.06 Ag36 N72 O168 -","18","1","","Sang, Rui-Li; Xu, Li","Reversible formation of regular pentagonal dodecahedral (H2O)20 in a 2D metal‒organic framework","CrystEngComm","2010","12","5","1377","","10.1039/b922161a","","","0.71073","MoKα","","0.0288","0.0229","","","0.0509","0.0536","","","","","","1.03","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212207","20.222","0.003","20.222","0.003","25.168","0.005","90","","90","","120","","8913","3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","(Ag2Pra2biim)5.33H2O","","","- C12 H22.67 Ag2 N4 O9.33 -","- C12 H22.67 Ag2 N4 O9.33333 -","- C216 H408.06 Ag36 N72 O168 -","18","1","","Sang, Rui-Li; Xu, Li","Reversible formation of regular pentagonal dodecahedral (H2O)20 in a 2D metal‒organic framework","CrystEngComm","2010","12","5","1377","","10.1039/b922161a","","","0.71073","MoKα","","0.042","0.031","","","0.0678","0.0745","","","","","","1.056","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212208","10.861","0.002","17.249","0.002","18.531","0.002","90","","96.916","0.004","90","","3446.4","0.8","108.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H23 Cl2 O -","- C19 H20 Cl2 O -","- C152 H160 Cl16 O8 -","8","2","","Takahashi, Hiroki; Ito, Yoshikatsu","Low-temperature-induced reversible single-crystal-to-single-crystal phase transition of 3,4-dichloro-2′,4′,6′-triethylbenzophenone","CrystEngComm","2010","12","5","1628","","10.1039/b922167k","","","0.71075","MoKα","","","0.1868","","","","0.5145","","","","","","1.262","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212209","10.3663","0.0003","15.8579","0.0004","10.7014","0.0003","90","","110.985","0.0009","90","","1642.5","0.08","133.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl O -","- C19 H21 Cl O -","- C76 H84 Cl4 O4 -","4","1","","Takahashi, Hiroki; Ito, Yoshikatsu","Low-temperature-induced reversible single-crystal-to-single-crystal phase transition of 3,4-dichloro-2′,4′,6′-triethylbenzophenone","CrystEngComm","2010","12","5","1628","","10.1039/b922167k","","","0.71075","MoKα","","","0.0708","","","","0.2626","","","","","","1.231","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212210","16.994","0.002","16.994","0.002","6.2966","0.0007","90","","90","","120","","1574.8","0.3","173","2","173","2","","","","","","","","4","P 64","P 64","172","","","","- C21.33 H29.33 N4 O2.33 -","- C20 H26 N4 O2 -","- C60 H78 N12 O6 -","3","0.5","","Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.","A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels","CrystEngComm","2010","12","6","1722","","10.1039/b922172g","","","0.71073","MoKα","","0.0379","0.0348","","","0.0853","0.0869","","","","","","1.111","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212211","8.327","0.002","12.216","0.003","9.643","0.003","90","","98.648","0.006","90","","969.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","0.5","","Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.","A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels","CrystEngComm","2010","12","6","1722","","10.1039/b922172g","","","0.71073","MoKα","","0.0824","0.0541","","","0.1389","0.1569","","","","","","1.038","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212212","16.939","0.001","16.939","0.001","6.2865","0.0005","90","","90","","120","","1562.12","0.18","173","2","173","2","","","","","","","","5","P 64","P 64","172","","","","- C20.5 H27 Cl N4 O2 -","- C20.5 H27 Cl N4 O2 -","- C61.5 H81 Cl3 N12 O6 -","3","0.5","","Becerril, Jorge; Bolte, Michael; Burguete, M. Isabel; Escorihuela, Jorge; Galindo, Francisco; Luis, Santiago V.","A simple peptidomimetic that self-associates on the solid state to form a nanoporous architecture containing chiral π-channels","CrystEngComm","2010","12","6","1722","","10.1039/b922172g","","","0.71073","MoKα","","0.0843","0.0519","","","0.1183","0.1338","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212213","7.26","0.003","12.744","0.006","16.409","0.008","75.833","0.007","88.378","0.007","87.605","0.007","1470.5","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H42 N4 O14 -","- C24 H42 N4 O14 -","- C48 H84 N8 O28 -","2","1","","Xiao, Weiming; Chen, Chao; Deng, Shengjun; Mao, Xuejin; Sun, Bin; Zhang, Ning","Supramolecular assembly of [H(4−n)BPTC]n− with pipzH22+: 1D negatively charged rectangular tubes and a 2D neutral fes 4·82 network","CrystEngComm","2010","12","7","2011","","10.1039/b922188c","","","0.71073","MoKα","","0.1637","0.0804","","","0.2197","0.265","","","","","","1.002","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212214","6.2017","0.0009","8.3441","0.0013","9.6508","0.0014","91.155","0.002","93.378","0.002","94.221","0.002","497.04","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","1","0.5","","Xiao, Weiming; Chen, Chao; Deng, Shengjun; Mao, Xuejin; Sun, Bin; Zhang, Ning","Supramolecular assembly of [H(4−n)BPTC]n− with pipzH22+: 1D negatively charged rectangular tubes and a 2D neutral fes 4·82 network","CrystEngComm","2010","12","7","2011","","10.1039/b922188c","","","0.71073","MoKα","","0.1187","0.0764","","","0.1883","0.2184","","","","","","1.074","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212215","14.1957","0.001","15.7796","0.0011","18.5297","0.0012","90","","90","","90","","4150.7","0.5","173","2","173","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H52 Cd Cl2 N12 O12 -","- C30 H52 Cd Cl2 N12 O12 -","- C120 H208 Cd4 Cl8 N48 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0458","0.0432","","","0.1213","0.1241","","","","","","1.061","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212216","14.2829","0.0014","15.3547","0.0015","18.6193","0.0018","90","","90","","90","","4083.4","0.7","173","2","173","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C30 H40 Cd N14 O12 -","- C30 H40 Cd N14 O12 -","- C120 H160 Cd4 N56 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0574","0.0481","","","0.1039","0.1073","","","","","","1.072","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212217","14.128","0.008","16.005","0.01","18.14","0.011","90","","90","","90","","4102","4","173","2","173","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H52 Cl2 Co N12 O12 -","- C30 H52 Cl2 Co N12 O12 -","- C120 H208 Cl8 Co4 N48 O48 -","4","0.25","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.0925","0.0699","","","0.1779","0.1941","","","","","","1.086","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212218","21.53","0.04","18.26","0.04","21.45","0.04","90","","96.11","0.03","90","","8385","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H52 Co N12 O16 S -","- C30 H40 Co N12 O16 S -","- C240 H320 Co8 N96 O128 S8 -","8","1","","Li, Shaoguang; Wu, Biao; Hao, Yongjing; Liu, Yanyan; Yang, Xiao-Juan","1D →1D Two-fold parallel interpenetrated coordination polymers with a bis(pyridylurea) ligand","CrystEngComm","2010","12","7","2001","","10.1039/b922566h","","","0.71073","MoKα","","0.199","0.1029","","","0.2693","0.3458","","","","","","0.991","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212219","15.9264","0.0005","18.2649","0.0006","19.6173","0.0006","90","","106.103","0.001","90","","5482.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H49 Cu5 N8 O18 -","- C58 H49 Cu5 N8 O18 -","- C232 H196 Cu20 N32 O72 -","4","1","","Nadeem, Muhammad Arif; Bhadbhade, Mohan; Bircher, Roland; Stride, John Arron","Three isolated structural motifs in one crystal: penetration of two 1D chains through large cavities within 2D polymeric sheets","CrystEngComm","2010","12","5","1391","","10.1039/b922698m","","","0.71073","MoKα","","0.0375","0.0304","","","0.0985","0.1073","","","","","","0.851","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212220","21.5673","0.0011","10.1496","0.0005","16.1354","0.0005","90","","94.849","0.003","90","","3519.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H12 N4 O4 Pb -","- C21 H12 N4 O4 Pb -","- C168 H96 N32 O32 Pb8 -","8","1","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Hou, Qin; Yu, Jie-Hui; Xu, Ji-Qing","4-Carboxylphthalhydrazidate-bridged layered Pb(ii) coordination polymers","CrystEngComm","2010","12","6","1850","","10.1039/b922767a","","","0.71073","MoKα","","0.0559","0.0404","","","0.0972","0.1031","","","","","","1.007","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212221","10.594","0.002","10.716","0.002","14.99","0.003","85.91","0.03","80.52","0.03","89.68","0.03","1674.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 N6 O19 Pb4 -","- C27 H12 N6 O19 Pb4 -","- C54 H24 N12 O38 Pb8 -","2","1","","Jin, Juan; Jia, Ming-Jun; Peng, Yu; Hou, Qin; Yu, Jie-Hui; Xu, Ji-Qing","4-Carboxylphthalhydrazidate-bridged layered Pb(ii) coordination polymers","CrystEngComm","2010","12","6","1850","","10.1039/b922767a","","","0.71073","MoKα","","0.0457","0.0384","","","0.106","0.1105","","","","","","1.113","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212222","11.0178","0.0005","7.5596","0.0004","10.9232","0.0005","90","","106.591","0.001","90","","871.92","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O2 -","- C8 H6 N4 O2 -","- C32 H24 N16 O8 -","4","1","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.07","0.0477","","","0.1235","0.1381","","","","","","1.03","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212223","7.393","0.001","7.6748","0.0011","12.1165","0.0017","75.374","0.002","83.368","0.002","79.04","0.002","651.43","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C32 H20 N8 O4 -","2","1","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0399","0.0361","","","0.0966","0.1002","","","","","","1.078","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212224","10.0116","0.0004","9.8622","0.0004","19.4872","0.0008","90","","104.437","0.001","90","","1863.34","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 N4 O2 -","- C9 H8 N4 O2 -","- C72 H64 N32 O16 -","8","2","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0714","0.0436","","","0.1016","0.1114","","","","","","1.021","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212225","7.6935","0.0004","14.8559","0.0008","12.8855","0.0007","90","","105.972","0.002","90","","1415.88","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N4 O2 -","- C17 H12 N4 O2 -","- C68 H48 N16 O8 -","4","1","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0763","0.0448","","","0.1126","0.1265","","","","","","1.01","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212226","10.3247","0.0004","15.4035","0.0007","8.3413","0.0004","90","","98.056","0.001","90","","1313.48","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cu N8 O8 -","- C20 H26 Cu N8 O8 -","- C40 H52 Cu2 N16 O16 -","2","0.5","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0787","0.0534","","","0.1567","0.1711","","","","","","1.06","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212227","15.6709","0.0013","10.8951","0.0009","11.3147","0.001","90","","90","","90","","1931.8","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C15 H26 Cu N4 O5 -","- C15 H23.128 Cu N4 O5.128 -","- C60 H92.512 Cu4 N16 O20.512 -","4","0.5","","Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso","Crystal structure, supramolecular assembly and preliminary reactivity behaviour of new heteropolytopic ligands based on oxalate/malonate skeleton and azolate moieties","CrystEngComm","2010","12","4","1217","","10.1039/b922874h","","","0.71073","MoKα","","0.0558","0.0315","","","0.0849","0.1001","","","","","","1.025","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212228","17.216","0.003","6.674","0.001","23.473","0.005","90","","90","","90","","2697","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","Isophthalic acid DABCO","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","1","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.1838","0.0575","","","0.1145","0.1513","","","","","","0.865","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212229","21.223","0.002","6.675","0.001","10.304","0.001","90","","116.45","0.01","90","","1306.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Dinicotinic acid DABCO","","","- C26 H34 N6 O8 -","- C26 H34 N6 O8 -","- C52 H68 N12 O16 -","2","0.25","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.0905","0.0428","","","0.103","0.1136","","","","","","0.918","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212230","10.275","0.001","7.122","0.001","17.45","0.001","90","","90","","90","","1277","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Dipicolinic acid DABCO","","","- C13 H17 N3 O4 -","- C13 H17 N3 O4 -","- C52 H68 N12 O16 -","4","0.5","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.0541","0.04","","","0.1158","0.1219","","","","","","1.063","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212231","9.3743","0.0007","10.3573","0.0006","12.2042","0.0007","84.468","0.005","83.268","0.005","67.587","0.007","1086.15","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H33 N5 O6 -","- C19 H33 N5 O6 -","- C38 H66 N10 O12 -","2","1","","Marivel, Samipillai; Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.","Mechanochemical preparation of adducts (co-crystals and molecular salts) of 1,4-diazabicyclo-[2.2.2]-octane with aromatic polycarboxylic acids","CrystEngComm","2010","12","7","2107","","10.1039/b922915a","","","0.71073","MoKα","","0.1207","0.0677","","","0.1786","0.1984","","","","","","1.039","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212232","10.9881","0.0019","4.3351","0.0007","20.561","0.004","90","","98.561","0.003","90","","968.5","0.3","180","2","180","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","","Petitjean, Anne; Xing, Liyan; Wang, Ruiyao","Functional formamidines: pyridine substituents make an exception in the usual doubly hydrogen-bonded formamidine dimer","CrystEngComm","2010","12","5","1397","","10.1039/b922918c","","","0.71073","MoKα","","0.0436","0.0331","","","0.0843","0.0893","","","","","","0.973","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212233","11.7861","0.0005","7.229","0.0003","23.2069","0.0009","90","","90","","90","","1977.27","0.14","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C88 H80 N32 -","8","1","","Petitjean, Anne; Xing, Liyan; Wang, Ruiyao","Functional formamidines: pyridine substituents make an exception in the usual doubly hydrogen-bonded formamidine dimer","CrystEngComm","2010","12","5","1397","","10.1039/b922918c","","","0.71073","MoKα","","0.0357","0.0322","","","0.0855","0.0893","","","","","","1.059","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212234","10.035","0.002","21.349","0.004","11.489","0.002","90","","105.67","0.03","90","","2369.9","0.8","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H60 Br Cu2 K N4 O9 -","- C49 H60 Br Cu2 K N4 O9 -","- C98 H120 Br2 Cu4 K2 N8 O18 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0482","0.0475","","","0.1195","0.1204","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212235","9.83","0.002","11.531","0.002","12.209","0.002","105.53","0.03","103.18","0.03","105.74","0.03","1214.1","0.6","173","","173","","","","","","","","","7","P 1","P 1","1","","","","- C49.8 H59.2 Cu2 K N5 O8.8 S -","- C49.8 H59.2 Cu2 K N5 O8.8 S -","- C49.8 H59.2 Cu2 K N5 O8.8 S -","1","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0466","0.042","","0.0543","0.0474","0.0469","","","","","","1.0761","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212236","11.2594","0.0004","26.5238","0.0009","16.2911","0.0006","90","","103.393","0.002","90","","4732.9","0.3","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H56 Cl2 Cs Cu3 N4 O8 -","- C48 H56 Cl2 Cs Cu3 N4 O8 -","- C192 H224 Cl8 Cs4 Cu12 N16 O32 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.025","0.0205","","0.0298","0.0226","0.0223","","","","","","1.0968","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212237","13.795","0.003","13.814","0.003","15.431","0.003","90","","104.92","0.03","90","","2841.5","1.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H32 Ca Cu N4 O11 -","- C25 H32 Ca Cu N4 O11 -","- C100 H128 Ca4 Cu4 N16 O44 -","4","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0275","0.0268","","","0.0717","0.0722","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212238","8.2295","0.0016","12.197","0.002","14.914","0.003","95.73","0.03","103.29","0.03","91.14","0.03","1448.2","0.5","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C26 H36 Cl Cu N2 Na O10 -","- C26 H36 Cl Cu N2 Na O10 -","- C52 H72 Cl2 Cu2 N4 Na2 O20 -","2","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0305","0.0294","","","0.0792","0.0801","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212239","18.444","0.004","14.311","0.003","21.715","0.004","90","","95.94","0.03","90","","5701","2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C99 H125 Ba2 Cu4 I8 N8 O19.5 -","- C99 H124 Ba2 Cu4 I8 N8 O19.5 -","- C198 H248 Ba4 Cu8 I16 N16 O39 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0522","0.0511","","","0.1408","0.1422","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212240","14.248","0.003","17.705","0.004","9.7119","0.0019","90","","108.86","0.03","90","","2318.4","0.9","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H60 Cu2 F6 N5 O8 P -","- C48 H60 Cu2 F6 N5 O8 P -","- C96 H120 Cu4 F12 N10 O16 P2 -","2","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0253","0.0245","","","0.0661","0.0668","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212241","15.3209","0.0004","20.8764","0.0004","6.7682","0.0002","90","","90","","90","","2164.78","0.09","123","","123","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C24 H28 Cu N2 O4 -","- C24 H28 Cu N2 O4 -","- C96 H112 Cu4 N8 O16 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Host‒guest chemistry of a chiral Schiff base copper(ii) complex: can chiral information be transferred to the guest cation?","CrystEngComm","2010","12","6","1764","","10.1039/b922929a","","","0.71073","MoKα","","0.0248","0.0229","","0.0311","0.024","0.0231","","","","","","0.9826","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212242","4.6837","0.0005","3.4226","0.0005","5.1288","0.0006","90","","99.54","0.01","90","","81.08","0.018","","","","","","","","","","","Tenorite - synthetic from Na2 C O3 flux at 1173 K for 20 h, slowly cooled","2","C 1 2/c 1","-C 2yc","15","","Copper Oxide","Tenorite","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Volanti, Diogo P.; Orlandi, Marcelo O.; Andrés, Juan; Longo, Elson","Efficient microwave-assisted hydrothermal synthesis of CuO sea urchin-like architectures via a mesoscale self-assembly","CrystEngComm","2010","12","6","1696","","10.1039/b922978g","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212243","15.6671","0.0002","15.6671","0.0002","12.6333","0.0002","90","","90","","90","","3100.94","0.07","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H12 Co N8 O3 -","- C12 H12 Co N8 O3 -","- C96 H96 Co8 N64 O24 -","8","0.5","","Lin, Qi-Pu; Zhang, Jian; Cao, Xin-Yi; Yao, Yuan-Gen; Li, Zhao-Ji; Zhang, Lei; Zhou, Zhang-Feng","Canted antiferromagnetic behaviours in isostructural Co(ii) and Ni(ii) frameworks with helical lvt topology","CrystEngComm","2010","12","10","2938","","10.1039/b923235d","","","0.71073","MoKα","","0.0459","0.0416","","","0.0899","0.0921","","","","","","1.003","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212244","15.547","0.001","15.547","0.001","12.4988","0.0013","90","","90","","90","","3021.1","0.4","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H12 N8 Ni O3 -","- C12 H12 N8 Ni O3 -","- C96 H96 N64 Ni8 O24 -","8","0.5","","Lin, Qi-Pu; Zhang, Jian; Cao, Xin-Yi; Yao, Yuan-Gen; Li, Zhao-Ji; Zhang, Lei; Zhou, Zhang-Feng","Canted antiferromagnetic behaviours in isostructural Co(ii) and Ni(ii) frameworks with helical lvt topology","CrystEngComm","2010","12","10","2938","","10.1039/b923235d","","","0.71073","MoKα","","0.0416","0.0392","","","0.0979","0.1","","","","","","1.007","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212245","3.905","","3.905","","3.905","","90","","90","","90","","59.547","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Strontium Titanate","Tausonite","- O3 Sr Ti -","- O3 Sr Ti -","- O3 Sr Ti -","1","0.0208333","","Longo, Valéria Moraes; das Graça Sampaio Costa, Maria; Zirpole Simões, Alexandre; Rosa, Ieda Lúcia Viana; Santos, Carlos Oliveira Paiva; Andrés, Juan; Longo, Elson; Varela, José Arana","On the photoluminescence behavior of samarium-doped strontium titanate nanostructures under UV light. A structural and electronic understanding.","Physical chemistry chemical physics : PCCP","2010","12","27","7566","7579","10.1039/b923281h","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212246","11.9278","0.0007","9.3661","0.0007","11.4995","0.0008","90","","119.034","0.005","90","","1123.24","0.14","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","1","","Ye, Heng-Yun; Ge, Jia-Zhen; Chen, Fang; Xiong, Ren-Gen","Reversible phase transition of the 1 : 1 co-crystal of 1,4-diazabicyclo-[2.2.2]octane (DABCO) and hydroquinone,","CrystEngComm","2010","12","6","1705","","10.1039/b923314h","","","0.71075","MoKα","","0.046","0.0381","","","0.1082","0.1134","","","","","","1.084","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212247","11.951","0.002","9.507","0.0019","11.672","0.002","90","","118.95","0.03","90","","1160.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","0.5","","Ye, Heng-Yun; Ge, Jia-Zhen; Chen, Fang; Xiong, Ren-Gen","Reversible phase transition of the 1 : 1 co-crystal of 1,4-diazabicyclo-[2.2.2]octane (DABCO) and hydroquinone,","CrystEngComm","2010","12","6","1705","","10.1039/b923314h","","","0.71075","MoKα","","0.07","0.0522","","","0.1252","0.1356","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212248","11.9322","0.001","9.4337","0.0009","11.5728","0.0011","90","","119.001","0.007","90","","1139.3","0.2","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","0.5","","Ye, Heng-Yun; Ge, Jia-Zhen; Chen, Fang; Xiong, Ren-Gen","Reversible phase transition of the 1 : 1 co-crystal of 1,4-diazabicyclo-[2.2.2]octane (DABCO) and hydroquinone,","CrystEngComm","2010","12","6","1705","","10.1039/b923314h","","","0.71075","MoKα","","0.0477","0.0455","","","0.121","0.1234","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212249","17.3784","0.0004","21.2929","0.0006","21.9656","0.0005","90","","90","","90","","8128.1","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H35.5 Cd2 N2 O12.75 -","- C43 H30.5 Cd2 N2 O12.75 -","- C344 H244 Cd16 N16 O102 -","8","1","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.71073","MoKα","","0.0768","0.0507","","","0.1287","0.1445","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212250","9.7828","0.0009","12.1306","0.0012","17.092","0.002","105.588","0.002","99.624","0.002","100.178","0.002","1873","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H58 Cd2 N8 O12 -","- C96 H58 Cd2 N8 O12 -","- C96 H58 Cd2 N8 O12 -","1","0.5","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.71073","MoKα","","0.088","0.0419","","","0.084","0.0955","","","","","","0.947","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212251","20.542","0.005","28.488","0.007","20.519","0.005","90","","99.776","0.005","90","","11833","5","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H44 Cd2 N12 O8 -","- C64 H44 Cd2 N12 O8 -","- C512 H352 Cd16 N96 O64 -","8","1","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.7107","MoKα","","0.1116","0.0857","","","0.2326","0.2555","","","","","","1.094","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212252","18.56","0.002","20.499","0.002","20.761","0.003","90","","90","","90","","7898.8","1.6","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C42 H46 Cd N2 O11 -","- C42 H46 Cd N2 O11 -","- C336 H368 Cd8 N16 O88 -","8","1","","Liu, Chun-Sen; Wang, Jun-Jie; Chang, Ze; Yan, Li-Fen; Bu, Xian-He","Cadmium(ii) coordination polymers based on a bulky anthracene-based dicarboxylate ligand: crystal structures and luminescent properties","CrystEngComm","2010","12","6","1833","","10.1039/b923516g","","","0.7107","MoKα","","0.081","0.0647","","","0.1482","0.1599","","","","","","1.078","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212253","28.256","0.006","14.188","0.003","23.568","0.005","90","","100.214","0.002","90","","9299","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H32.5 Mn3.5 N6.5 O25.5 -","- C42.5 H32.5 Mn3.5 N6.5 O25.5 -","- C340 H260 Mn28 N52 O204 -","8","1","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0663","0.0487","","","0.1276","0.145","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212254","13.287","0.002","11.6791","0.0018","16.141","0.003","90","","90.408","0.002","90","","2504.7","0.7","294","2","294","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48 H36 Mn3 N8 O20 -","- C48 H36 Mn3 N8 O20 -","- C96 H72 Mn6 N16 O40 -","2","0.5","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0415","0.0347","","","0.0987","0.1042","","","","","","1.04","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212255","8.132","0.005","8.361","0.005","17.745","0.011","80.079","0.006","80.508","0.006","82.299","0.006","1165.3","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Mn3 N6 O24 -","- C42 H40 Mn3 N6 O24 -","- C42 H40 Mn3 N6 O24 -","1","0.5","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0328","0.028","","","0.0726","0.0762","","","","","","1.015","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212256","11.1537","0.0011","11.1636","0.0011","18.4683","0.0018","83.616","0.001","74.846","0.001","67.302","0.001","2047.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Mn3 N5 O22 -","- C36 H34 Mn3 N5 O22 -","- C72 H68 Mn6 N10 O44 -","2","1","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0552","0.0422","","","0.1059","0.1159","","","","","","1.048","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212257","7.3062","0.0007","10.7744","0.0011","15.5261","0.0015","79.757","0.001","77.641","0.001","81.743","0.001","1167.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Mn3 N6 O20 -","- C44 H40 Mn3 N6 O20 -","- C44 H40 Mn3 N6 O20 -","1","0.5","","Ma, Lu-Fang; Liu, Bin; Wang, Li-Ya; Hu, Jiang-Liang; Du, Miao","Hydrothermal preparation, crystal structures and properties of novel Mn(ii) metal‒organic frameworks with 5-nitro-1,2,3-benzenetricarboxylate and various dipyridyl ligands","CrystEngComm","2010","12","5","1439","","10.1039/b923522c","","","0.71073","MoKα","","0.0341","0.0302","","","0.075","0.0781","","","","","","1.04","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212258","11.242","0.0014","14.367","0.0019","16.751","0.002","90","","109.518","0.002","90","","2550","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N4 O12 P4 Zn3 -","- C12 H22 N4 O12 P4 Zn3 -","- C48 H88 N16 O48 P16 Zn12 -","4","1","","Feng, Jing-Dong; Shao, Kui-Zhan; Tang, Shu-Wei; Wang, Rong-Shun; Su, Zhong-Min","Ionothermal synthesis of a new open-framework zinc phosphite NIS-3 with low framework density","CrystEngComm","2010","12","5","1401","","10.1039/b923583c","","","0.71069","MoKα","","0.135","0.1023","","","0.3799","0.4019","","","","","","1.067","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212259","11.224","0.0015","14.354","0.0019","16.709","0.002","90","","109.33","0.002","90","","2540.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N4 O12 P4 Zn3 -","- C12 H26 N4 O12 P4 Zn3 -","- C48 H104 N16 O48 P16 Zn12 -","4","1","","Feng, Jing-Dong; Shao, Kui-Zhan; Tang, Shu-Wei; Wang, Rong-Shun; Su, Zhong-Min","Ionothermal synthesis of a new open-framework zinc phosphite NIS-3 with low framework density","CrystEngComm","2010","12","5","1401","","10.1039/b923583c","","","0.71069","MoKα","","0.1113","0.0629","","","0.1753","0.1968","","","","","","1.082","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212260","19.1839","0.0008","9.7221","0.0004","22.3927","0.001","90","","99.843","0.01","90","","4114.9","0.3","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C184 H224 N16 O24 -","8","1","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","0.7749","synchrotron","","0.0471","0.0407","","","0.1055","0.1092","","","","","","1.078","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212261","9.2383","0.0005","9.3034","0.0005","14.4329","0.0008","75.858","0.003","80.777","0.003","74.672","0.003","1154","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23.5 H32 N2 O5.5 -","- C23.5 H32 N2 O5.5 -","- C47 H64 N4 O11 -","2","1","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","1.54178","CuKα","","0.053","0.0444","","","0.1259","0.1338","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212262","9.3005","0.0004","9.7222","0.0005","14.423","0.0007","78.622","0.004","75.813","0.003","74.623","0.003","1206.84","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H38 N2 O5 -","- C24 H30 N2 O3 -","- C48 H60 N4 O6 -","2","1","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","1.54178","CuKα","","0.0639","0.0497","","","0.1284","0.1356","","","","","","1.056","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212263","9.3807","0.0004","14.829","0.0007","17.4244","0.0009","85.655","0.004","78.993","0.004","76.609","0.003","2313.31","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H34 N2 O4.5 -","- C24.5 H34 N2 O4.5 -","- C98 H136 N8 O18 -","4","2","","Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J.","Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids","CrystEngComm","2010","12","11","3651","","10.1039/b923698h","","","1.54178","CuKα","","0.0696","0.052","","","0.1372","0.1482","","","","","","1.048","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212264","9.991","0.002","22.751","0.005","7.1579","0.0016","90","","90","","90","","1627","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 H14 N4 O5 -","- C18 H14 N4 O5 -","- C72 H56 N16 O20 -","4","0.5","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0577","0.0427","","","0.1078","0.1168","","","","","","1.031","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212265","30.724","0.015","7.369","0.004","20.92","0.01","90","","131.282","0.006","90","","3559","3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H14 N4 O6 -","- C19 H14 N4 O6 -","- C152 H112 N32 O48 -","8","2","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0873","0.0606","","","0.1063","0.1171","","","","","","1.088","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212266","10.686","0.002","7.0251","0.0016","23.755","0.006","90","","99.459","0.004","90","","1759","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N4 O7 -","- C19 H14 N4 O7 -","- C76 H56 N16 O28 -","4","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.1106","0.0764","","","0.2141","0.239","","","","","","1.043","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212267","11.037","0.003","7.1184","0.0019","11.835","0.003","90","","108.271","0.004","90","","882.9","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N5 O5 -","- C19 H15 N5 O5 -","- C38 H30 N10 O10 -","2","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0706","0.0436","","","0.0705","0.0763","","","","","","1.001","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212268","11.449","0.005","7.804","0.003","38.548","0.015","90","","97.216","0.006","90","","3417","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N4 O6.5 -","- C18 H15 N4 O6.5 -","- C144 H120 N32 O52 -","8","2","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0821","0.0482","","","0.1145","0.1317","","","","","","1.025","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212269","9.4118","0.0018","7.0994","0.0014","26.666","0.005","90","","95.805","0.003","90","","1772.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N4 O6 -","- C18 H16 N4 O6 -","- C72 H64 N16 O24 -","4","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.062","0.045","","","0.1034","0.111","","","","","","1.056","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212270","12.002","0.004","7.804","0.003","35.338","0.011","90","","92.773","0.006","90","","3306","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H58 N16 O21 -","- C72 H58 N16 O21 -","- C144 H116 N32 O42 -","2","0.25","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.1401","0.0641","","","0.1333","0.1649","","","","","","1.009","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212271","10.351","0.003","6.9394","0.0018","13.099","0.003","90","","108.018","0.004","90","","894.8","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H14 N4 O7 -","- C19 H14 N4 O7 -","- C38 H28 N8 O14 -","2","1","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.0497","0.0415","","","0.0857","0.0902","","","","","","1.037","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212272","5.542","0.0017","12.465","0.004","16.069","0.005","90","","90","","90","","1110.1","0.6","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 N4 O3 -","- C12 H8 N4 O3 -","- C48 H32 N16 O12 -","4","0.5","","Hou, Gui-Ge; Ma, Jian-Ping; Wang, Le; Wang, Ping; Dong, Yu-Bin; Huang, Ru-Qi","Co-crystallization of oxadiazole-bridged pyridyl-N-oxide building modules with R-aromatics (R = ‒OH, ‒NH2 and ‒COOH)","CrystEngComm","2010","12","12","4287","","10.1039/b923810g","","","0.71073","MoKα","","0.1038","0.0547","","","0.1125","0.1261","","","","","","0.963","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212273","8.7594","0.0016","15.754","0.003","15.889","0.003","76.862","0.003","87.533","0.004","86.832","0.003","2130.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H57 N5 O2 -","- C45 H57 N5 O2 -","- C90 H114 N10 O4 -","2","1","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1948","0.0672","","","0.1518","0.2035","","","","","","0.918","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212274","9.2955","0.0018","13.604","0.003","18.883","0.004","80.997","0.003","88.164","0.003","81.838","0.003","2334.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H100 Cl4 Co N10 -","- C87 H100 Cl4 Co N10 -","- C87 H100 Cl4 Co N10 -","1","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1525","0.083","","","0.2374","0.2868","","","","","","1.005","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212275","9.3682","0.0018","13.489","0.003","19.188","0.004","98.737","0.003","91.191","0.004","97.732","0.004","2372.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H100 Cl2 Co N12 O6 -","- C87 H100 Cl2 Co N12 O6 -","- C87 H100 Cl2 Co N12 O6 -","1","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1192","0.0807","","","0.2086","0.2398","","","","","","0.994","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212276","23.382","0.003","22.002","0.003","21.936","0.003","90","","90","","90","","11285","3","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C43 H49 Cl5 Co2 N5 -","- C43 H49 Cl5 Co2 N5 -","- C344 H392 Cl40 Co16 N40 -","8","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1075","0.0677","","","0.1901","0.2101","","","","","","0.958","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212277","13.3784","0.0013","24.485","0.002","18.8723","0.0018","90","","100.633","0.002","90","","6075.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H104 Co4 N20 O24 -","- C90 H104 Co4 N20 O24 -","- C180 H208 Co8 N40 O48 -","2","0.5","","Wu, Biao; Yang, Jin; Liu, Yanyan; Zhuge, Fuyu; Tang, Ning; Yang, Xiao-Juan","Solvent-directed conformational variation of Co(ii)/(iii) complexes with a diiminopyridine ligand","CrystEngComm","2010","12","10","2755","","10.1039/b923820d","","","0.71073","MoKα","","0.1141","0.058","","","0.1389","0.1561","","","","","","0.901","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212280","9.051","0.001","9.834","0.003","12.765","0.004","74.69","0.02","89.45","0.02","76.56","0.02","1064.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H31 N O5 -","- C23 H31 N O5 -","- C46 H62 N2 O10 -","2","1","","Bica, Katharina; Rijksen, Christiaan; Nieuwenhuyzen, Mark; Rogers, Robin D.","In search of pure liquid salt forms of aspirin: ionic liquid approaches with acetylsalicylic acid and salicylic acid.","Physical chemistry chemical physics : PCCP","2010","12","8","2011","2017","10.1039/b923855g","","","0.71073","MoKα","","0.074","0.0504","","","0.1304","0.1647","","","","","","1.158","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212281","8.4078","0.0008","8.3744","0.0008","11.4399","0.001","90","","98.698","0.004","90","","796.22","0.13","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Jida, Mouhamad; Deprez-Poulain, Rebecca; Malaquin, Sandra; Roussel, Pascal; Agbossou-Niedercorn, Francine; Deprez, Benoit; Laconde, Guillaume","Solvent-free microwave-assisted Meyers’ lactamization","Green Chemistry","2010","12","6","961","","10.1039/b924111f","","","0.71073","MoKα","","0.0506","0.0392","","0.0746","0.0441","0.0431","","","","","","1.1559","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7212282","17.5352","0.0008","7.6758","0.0004","10.0025","0.0004","90","","113.78","0.003","90","","1232","0.1","293","","293","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C48 H68 N4 O16 -","4","1","","Jida, Mouhamad; Deprez-Poulain, Rebecca; Malaquin, Sandra; Roussel, Pascal; Agbossou-Niedercorn, Francine; Deprez, Benoit; Laconde, Guillaume","Solvent-free microwave-assisted Meyers’ lactamization","Green Chemistry","2010","12","6","961","","10.1039/b924111f","","","0.71073","MoKα","","0.1102","0.0448","","0.0747","0.0458","0.0431","","","","","","1.0751","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212283","3.9802","0.0008","13.615","0.003","17.671","0.004","90","","93.72","0.03","90","","955.6","0.4","298","0.2","298","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 K3 O12 -","- C18 H9 K3 O12 -","- C36 H18 K6 O24 -","2","0.5","","Kim, Min Kyung; Jo, Vinna; Lee, Dong Woo; Shim, Il-Wun; Ok, Kang Min","CAU-1 and CAU-2: New tubular alkali metal‒organic framework materials, A3[C6H3(CO2)(CO2H0.5)(CO2H)]2 (A = K or Rb)","CrystEngComm","2010","12","5","1481","","10.1039/b924218j","","","0.71073","MoKα","","0.1379","0.0685","","","0.1311","0.1953","","","","","","1.118","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212284","4.0727","0.0008","13.891","0.003","17.853","0.004","90","","93.81","0.03","90","","1007.8","0.4","298","0.2","298","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 O12 Rb3 -","- C18 H9 O12 Rb3.001 -","- C36 H18 O24 Rb6.002 -","2","0.5","","Kim, Min Kyung; Jo, Vinna; Lee, Dong Woo; Shim, Il-Wun; Ok, Kang Min","CAU-1 and CAU-2: New tubular alkali metal‒organic framework materials, A3[C6H3(CO2)(CO2H0.5)(CO2H)]2 (A = K or Rb)","CrystEngComm","2010","12","5","1481","","10.1039/b924218j","","","0.71073","MoKα","","0.16","0.1196","","","0.2811","0.3088","","","","","","1.065","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212285","9.3402","0.001","25.842","0.003","20.09","0.002","90","","101.431","0.001","90","","4752.9","0.9","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 N4 O14 Zn2 -","- C41 H36 N4 O14 Zn2 -","- C164 H144 N16 O56 Zn8 -","4","0.5","","Ren, Shi-Bin; Zhou, Le; Zhang, Jun; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","A 4-connected 3D porous coordination polymer with a binodal 6284 net built on tetrahedral quadridentate and bidentate linkers","CrystEngComm","2010","12","5","1635","","10.1039/b924237f","","","0.71073","MoKα","","0.0544","0.0458","","","0.1059","0.108","","","","","","1.136","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212286","10.613","","11.272","","12.144","","73.51","","87.29","","70.39","","1310.38","","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H49 Al Cu Mo6 N4 Na4 O51 -","- C12 H4 Al Cu Mo6 N4 Na4 O51 -","- C12 H4 Al Cu Mo6 N4 Na4 O51 -","1","0.5","","Li, Suzhi; Ma, Pengtao; Wang, Jingping; Guo, Yuanyuan; Niu, Haizhu; Zhao, Junwei; Niu, Jingyang","A 3D organic‒inorganic network constructed from an Anderson-type polyoxometalate anion, a copper complex and a tetrameric [Na4(H2O)14]4+ cluster,","CrystEngComm","2010","12","6","1718","","10.1039/b924394a","","","0.71073","MoKα","","0.0327","0.0297","","","0.0786","0.0806","","","","","","1.031","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212287","12.8141","0.0017","10.2601","0.0014","18.756","0.003","90","","102.832","0.002","90","","2404.3","0.6","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","","- C22 H17 Br2 Cl3 O8 -","- C22 H17 Br2 Cl3 O8 -","- C88 H68 Br8 Cl12 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0301","0.0268","","","0.0651","0.0664","","","","","","1.028","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212288","12.8133","0.0015","10.2045","0.0012","18.814","0.002","90","","103.599","0.002","90","","2391","0.5","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","","- C24 H22 Br2 O9 -","- C24 H22 Br2 O9 -","- C96 H88 Br8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0422","0.034","","","0.0836","0.0879","","","","","","1.037","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212289","12.8524","0.0011","10.2018","0.0008","18.525","0.0015","90","","102.87","0.001","90","","2367.9","0.3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","","- C22 H18 Br2 Cl2 O8 -","- C22 H18 Br2 Cl2 O8 -","- C88 H72 Br8 Cl8 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0385","0.034","","","0.0865","0.089","","","","","","1.05","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212290","12.1747","0.0015","10.1533","0.0012","19.261","0.002","90","","103.231","0.002","90","","2317.7","0.5","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","","- C22 H19 Br2 N O10 -","- C22 H19 Br2 N O10 -","- C88 H76 Br8 N4 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0372","0.0327","","","0.0812","0.0839","","","","","","1.021","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212291","13.181","0.004","10.046","0.003","18.813","0.005","90","","102.436","0.004","90","","2432.7","1.2","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","","- C25 H24 Br2 O9 -","- C25 H24 Br2 O9 -","- C100 H96 Br8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0751","0.069","","","0.1833","0.1914","","","","","","1.082","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212292","13.1856","0.0016","10.2483","0.0013","18.966","0.002","90","","104.704","0.002","90","","2478.9","0.5","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","","- C25 H24 Br2 O10 -","- C25 H24 Br2 O10 -","- C100 H96 Br8 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0482","0.0363","","","0.0855","0.0912","","","","","","1.023","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212293","13.0322","0.0015","10.2499","0.0011","18.415","0.002","90","","103.579","0.002","90","","2391.1","0.5","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","","- C23 H22 Br2 O9 S -","- C23 H22 Br2 O9 S -","- C92 H88 Br8 O36 S4 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0528","0.0457","","","0.0946","0.0976","","","","","","1.164","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212294","12.1687","0.0008","10.0099","0.0007","20.3518","0.0014","90","","92.677","0.001","90","","2476.3","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate 1,2- dichloroethane solvate","2,6-di-O-p-bromobenzoyl-myo-inositol 1,3,5-orthoformate 1,2-dichloroethane solvate","","- C23 H20 Br2 Cl2 O8 -","- C23 H20 Br2 Cl2 O8 -","- C92 H80 Br8 Cl8 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0476","0.0406","","","0.1063","0.1107","","","","","","1.065","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212295","12.9486","0.0009","10.2705","0.0007","18.0529","0.0012","90","","101.398","0.001","90","","2353.5","0.3","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate chloroform solvate","","- C22 H17 Cl5 O8 -","- C22 H17 Cl5 O8 -","- C88 H68 Cl20 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0413","0.0386","","","0.0884","0.0901","","","","","","1.087","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212296","12.751","0.002","10.221","0.0018","18.52","0.003","90","","103.209","0.003","90","","2349.8","0.7","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetone solvate","","- C24 H22 Cl2 O9 -","- C24 H22 Cl2 O9 -","- C96 H88 Cl8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.044","0.0402","","","0.0976","0.1003","","","","","","1.079","","","","has coordinates","180453","2020-10-21","18:00:00",""
"7212297","12.8921","0.0011","10.1356","0.0009","18.0788","0.0016","90","","101.584","0.001","90","","2314.2","0.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","","- C22 H18 Cl4 O8 -","- C22 H18 Cl4 O8 -","- C88 H72 Cl16 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.046","0.0433","","","0.1057","0.1076","","","","","","1.03","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212298","12.6835","0.0007","10.0712","0.0005","18.298","0.001","90","","103.1","0.001","90","","2276.5","0.2","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate nitromethane solvate","","- C22 H19 Cl2 N O10 -","- C22 H19 Cl2 N O10 -","- C88 H76 Cl8 N4 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0318","0.0303","","","0.0798","0.0811","","","","","","1.048","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212299","12.908","0.003","10.135","0.002","18.299","0.004","90","","101.682","0.004","90","","2344.3","0.9","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate tetrahydrofuran solvate","","- C25 H24 Cl2 O9 -","- C25 H24 Cl2 O9 -","- C100 H96 Cl8 O36 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.077","0.0605","","","0.124","0.1313","","","","","","1.103","","","","has coordinates,has disorder","180453","2020-10-21","18:00:00",""
"7212300","13.047","0.003","10.141","0.003","18.678","0.005","90","","103.518","0.004","90","","2402.8","1.1","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dioxane solvate","","- C25 H24 Cl2 O10 -","- C25 H24 Cl2 O10 -","- C100 H96 Cl8 O40 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0674","0.054","","","0.1203","0.1276","","","","","","1.055","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212301","12.9731","0.0013","10.2342","0.0011","18.0469","0.0019","90","","102.585","0.002","90","","2338.5","0.4","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dimethyl sulphoxide solvate","","- C23 H22 Cl2 O9 S -","- C23 H22 Cl2 O9 S -","- C92 H88 Cl8 O36 S4 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0565","0.0509","","","0.1139","0.1169","","","","","","1.148","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212302","12.093","0.002","9.9108","0.0017","20.26","0.003","90","","92.433","0.003","90","","2426","0.7","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate 1,2- dichloroethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate 1,2-dichloroethane solvate","","- C23 H20 Cl4 O8 -","- C23 H20 Cl4 O8 -","- C92 H80 Cl16 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.093","0.0716","","","0.1553","0.1685","","","","","","1.034","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212303","12.074","0.01","9.861","0.008","20.003","0.016","90","","94.894","0.013","90","","2373","3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetonitrile solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate acetonitrile solvate","","- C23 H19 Cl2 N O8 -","- C23 H19 Cl2 N O8 -","- C92 H76 Cl8 N4 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0575","0.0496","","","0.1236","0.1298","","","","","","1.067","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212304","11.6917","0.0018","9.6018","0.0015","21.103","0.003","90","","94.329","0.003","90","","2362.3","0.6","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate p- xylene solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate p-xylene solvate","","- C25 H21 Cl2 O8 -","- C25 H21 Cl2 O8 -","- C100 H84 Cl8 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0434","0.0357","","","0.0818","0.0862","","","","","","1.046","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212305","32.22","0.03","9.584","0.008","21.386","0.019","90","","129.72","0.03","90","","5080","8","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate benzene solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate benzene solvate","","- C27 H22 Cl2 O8 -","- C27 H22 Cl2 O8 -","- C216 H176 Cl16 O64 -","8","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.179","0.1154","","","0.2338","0.2626","","","","","","1.115","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212306","12.962","0.002","10.1406","0.0017","18.391","0.003","90","","102.627","0.003","90","","2358.9","0.7","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","2,6-di-O-p-chlorobenzoyl-myo-inositol 1,3,5-orthoformate dichloromethane solvate","","- C21.06 H16.12 Cl2.12 O8 -","- C21.06 H16.12 Cl2.12 O8 -","- C84.24 H64.48 Cl8.48 O32 -","4","1","","Krishnaswamy, Shobhana; Gonnade, Rajesh G.; Shashidhar, Mysore S.; Bhadbhade, Mohan M.","Helical self-assembly of molecules in pseudopolymorphs of racemic 2,6-di-O-(4-halobenzoyl)-myo-inositol 1,3,5-orthoformates: clues for the construction of molecular assemblies for intermolecular acyl transfer reaction","CrystEngComm","2010","12","12","4184","","10.1039/b924482d","","","0.71073","MoKα","","0.0789","0.0551","","","0.141","0.1586","","","","","","1.034","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212307","9.7496","0.001","10.3079","0.0005","11.9451","0.0006","114.92","0.002","110.933","0.004","91.374","0.003","995.02","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36 H43 Fe N12 O8 -","- C36 H43 Fe N12 O8 -","- C36 H43 Fe N12 O8 -","1","1","","Hazra, Arpan; Kanoo, Prakash; Mohapatra, Sudip; Mostafa, Golam; Maji, Tapas Kumar","A flexible supramolecular host with a crowned chair octameric water cluster and highly selective adsorption properties","CrystEngComm","2010","12","10","2775","","10.1039/b924511a","","","0.71073","MoKα","","0.0708","0.0493","","","0.0935","0.1028","","","","","","1.015","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212308","6.7906","0.0012","7.3159","0.0004","15.8428","0.0014","86.297","0.006","78.924","0.011","72.713","0.006","737.49","0.16","293","","293","","","","","","","","The compound was used as received from Sigma-Aldrich","4","P -1","-P 1","2","","","","- C9 H31 N O9 -","- C9 H31 N O9 -","- C18 H62 N2 O18 -","2","1","","Fabbiani, Francesca P. A.; Levendis, Demetrius C.; Buth, Gernot; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Searching for novel crystal forms by in situ high-pressure crystallisation: the example of gabapentin heptahydrate","CrystEngComm","2010","12","8","2354","","10.1039/b924573a","","","0.72","synchrotron","","0.0528","0.0451","","0.131","0.1268","0.131","","","","","","0.9522","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212309","20.007","0.003","20.007","0.003","28.168","0.006","90","","90","","90","","11275","3","223","2","223","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C130 H93 N9 O25 Zn6 -","- C130 H93 N9 O25 Zn6 -","- C520 H372 N36 O100 Zn24 -","4","0.5","","Liu, Dong; Ren, Zhi-Gang; Li, Hong-Xi; Chen, Yang; Wang, Jing; Zhang, Yong; Lang, Jian-Ping","pH-dependent solvothermal formation of two different 3D multiple interpenetrating nets from the same components of Zn(NO3)2, 1,3-benzenedicarboxylate and 1,4-bis[2-(4-pyridyl)ethenyl]benzene","CrystEngComm","2010","12","6","1912","","10.1039/b924647a","","","0.71073","MoKα","","0.1165","0.0987","","","0.2316","0.2428","","","","","","1.176","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212310","15.678","0.003","13.571","0.003","15.234","0.003","90","","109.27","0.03","90","","3059.7","1.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H100 N8 O34 Zn8 -","- C144 H100 N8 O34 Zn8 -","- C144 H100 N8 O34 Zn8 -","1","0.125","","Liu, Dong; Ren, Zhi-Gang; Li, Hong-Xi; Chen, Yang; Wang, Jing; Zhang, Yong; Lang, Jian-Ping","pH-dependent solvothermal formation of two different 3D multiple interpenetrating nets from the same components of Zn(NO3)2, 1,3-benzenedicarboxylate and 1,4-bis[2-(4-pyridyl)ethenyl]benzene","CrystEngComm","2010","12","6","1912","","10.1039/b924647a","","","0.71073","MoKα","","0.0417","0.034","","","0.0791","0.0836","","","","","","0.985","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212311","9.338","0.0013","6.393","0.0005","13.162","0.0018","90","","108.753","0.011","90","","744.03","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O S -","- C6 H8 N2 O S -","- C24 H32 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.0667","0.0383","","","0.0938","0.1024","","","","","","0.957","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212312","5.0267","0.0009","11.2601","0.0012","22.199","0.004","90","","94.545","0.014","90","","1252.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.1815","0.0491","","","0.1013","0.1398","","","","","","0.853","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212313","12.377","0.004","5.69","0.0012","12.515","0.004","90","","91.27","0.03","90","","881.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N2 O S -","- C9 H8 N2 O S -","- C36 H32 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.2063","0.1199","","","0.3058","0.4126","","","","","","1.176","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212314","28.38","0.006","5.0073","0.0006","20.811","0.004","90","","106.952","0.016","90","","2828.9","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C128 H112 N16 O8 S8 -","8","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.1901","0.1072","","","0.308","0.3591","","","","","","1.034","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212315","9.5863","0.0011","9.2632","0.0007","11.9253","0.0012","90","","95.96","0.009","90","","1053.24","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N2 O S -","- C9 H14 N2 O S -","- C36 H56 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.0675","0.0501","","","0.1373","0.1487","","","","","","1.129","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212316","21.947","0.0019","8.5282","0.0008","11.4242","0.0009","90","","115.115","0.006","90","","1936.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 O S -","- C10 H10 N2 O S -","- C80 H80 N16 O8 S8 -","8","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.0493","0.0411","","","0.1249","0.1298","","","","","","1.383","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212317","9.0344","0.0011","17.331","0.003","9.5981","0.0011","90","","101.028","0.01","90","","1475.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O S -","- C17 H16 N2 O S -","- C68 H64 N8 O4 S4 -","4","1","","Jha, Sushil; Silversides, Jon D.; Boyle, Ross W.; Archibald, Stephen J.","Hydrogen bonded dimers vs. one-dimensional chains in 2-thiooxoimidazolidin-4-one (thiohydantoin) drug derivatives","CrystEngComm","2010","12","6","1730","","10.1039/b924683e","","","0.71073","MoKα","","0.1185","0.0733","","","0.1926","0.2366","","","","","","1.043","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212318","20.575","0.002","5.5363","0.0005","18.7917","0.0019","90","","91.676","0.002","90","","2139.6","0.4","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Nakano, Yoko; Harada, Takunori; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio","Control of solid-state chiral optical properties of a chiral supramolecular organic fluorophore consisting of 1-pyrenesulfonic acid and chiral amine molecules","CrystEngComm","2010","12","6","1688","","10.1039/b924760m","","","0.71073","MoKα","","0.0596","0.049","","","0.1025","0.1078","","","","","","1.023","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212319","13.079","0.005","14.156","0.004","14.444","0.004","107.729","0.005","98.846","0.004","116.684","0.006","2139.2","1.2","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H68 Cl3 N5 O13 -","- C33 H48 Cl3 N5 O13 -","- C66 H96 Cl6 N10 O26 -","2","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1004","0.0747","","","0.1607","0.2286","","","","","","1.154","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212320","15.007","0.005","14.443","0.003","21.342","0.006","90","","95.48","0.005","90","","4605","2","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H57 Cl4 N5 O23 S0 -","- C33 H49 Cl4 N5 O23 -","- C132 H196 Cl16 N20 O92 -","4","2","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1006","0.0711","","","0.1806","0.2326","","","","","","1.088","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212321","13.327","0.005","12.267","0.003","28.121","0.006","90","","103.374","0.006","90","","4473","2","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H57 Cl4 N5 O23 -","- C33 H57 Cl4 N5 O23 -","- C132 H228 Cl16 N20 O92 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.0958","0.0607","","","0.1585","0.1972","","","","","","1.083","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212322","9.465","0.004","26.756","0.006","16.27","0.005","90","","93.333","0.006","90","","4113","2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H61 Cl2 N5 O13 S -","- C33 H61 Cl2 N5 O13 S -","- C132 H244 Cl8 N20 O52 S4 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.0945","0.0526","","","0.1522","0.2054","","","","","","1.115","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212323","9.389","0.002","24.772","0.004","16.532","0.003","90","","97.961","0.004","90","","3808","1.2","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 Cl N8 O13 -","- C33 H49 Cl N8 O13 -","- C132 H196 Cl4 N32 O52 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1006","0.0754","","","0.1757","0.2233","","","","","","1.112","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212324","9.733","0.002","24.969","0.004","16.288","0.003","90","","96.989","0.006","90","","3929","1.3","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 Br N8 O13 -","- C33 H49 Br N8 O13 -","- C132 H196 Br4 N32 O52 -","4","1","","Das, Madhab C.; Ghosh, Sujit K.; Sen, Susan; Bharadwaj, Parimal K.","Binding of various anions in laterally non-symmetric aza-oxa cryptands through H-bonds: characterization of water clusters of different nuclearity","CrystEngComm","2010","12","10","2967","","10.1039/b924869m","","","0.71069","MoKα","","0.1093","0.0714","","","0.1835","0.2329","","","","","","1.073","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212325","8.529","0.0009","8.6076","0.0005","10.7849","0.0011","72.602","0.006","75.267","0.005","79.158","0.006","725.29","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 N4 O18 U2 -","- C20 H34 N4 O18 U2 -","- C20 H34 N4 O18 U2 -","1","0.5","","Thuéry, Pierre","Uranyl‒organic assemblies with the macrocyclic ligand 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate (TETA)","CrystEngComm","2010","12","6","1905","","10.1039/b924966d","","","0.71073","MoKα","","0.0363","0.0294","","","0.0703","0.0725","","","","","","1.028","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212326","20.3512","0.0013","12.8168","0.0006","10.9421","0.0006","90","","103.303","0.004","90","","2777.5","0.3","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H34 Cl N5 O14 U -","- C18 H34 Cl N5 O14 U -","- C72 H136 Cl4 N20 O56 U4 -","4","0.5","","Thuéry, Pierre","Uranyl‒organic assemblies with the macrocyclic ligand 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate (TETA)","CrystEngComm","2010","12","6","1905","","10.1039/b924966d","","","0.71073","MoKα","","0.0412","0.0326","","","0.0717","0.0738","","","","","","1.048","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212327","21.3207","0.0011","16.657","0.0009","10.1919","0.0004","90","","97.853","0.003","90","","3585.6","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H44 N4 O17 U -","- C18 H32 N4 O17 U -","- C72 H128 N16 O68 U4 -","4","0.5","","Thuéry, Pierre","Uranyl‒organic assemblies with the macrocyclic ligand 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate (TETA)","CrystEngComm","2010","12","6","1905","","10.1039/b924966d","","","0.71073","MoKα","","0.0481","0.0391","","","0.1032","0.1062","","","","","","1.081","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212328","6.699","0.0003","6.842","0.0002","16.354","0.001","90","","96.514","0.003","90","","744.74","0.06","293","2","293","2","","","","","","","synthesized by the authors","5","C 1 c 1","C -2yc","9","guanylurea hydrogen phosphite","","","- C2 H9 N4 O4 P -","- C2 H9 N4 O4 P -","- C8 H36 N16 O16 P4 -","4","1","","Fridrichová, Michaela; Němec, Ivan; Císařová, Ivana; Němec, Petr","Guanylurea(1+) hydrogen phosphite: a novel promising phase-matchable material for second harmonic generation","CrystEngComm","2010","12","7","2054","","10.1039/b924973g","","","0.71073","MoKα","","0.0301","0.0276","","","0.066","0.0679","","","","","","1.091","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212329","8.9219","0.0002","10.0914","0.0002","13.6763","0.0003","90","","90","","90","","1231.34","0.05","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I O Re S3 -","- C6 H12 I O Re S3 -","- C24 H48 I4 O4 Re4 S12 -","4","1","","De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne","Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study.","Physical chemistry chemical physics : PCCP","2010","12","31","8792","8803","10.1039/b925050f","","","0.71073","MoKα","","0.0453","0.0339","","0.0528","0.0363","0.0342","","","","","","1.0952","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212330","8.1147","0.0003","10.5897","0.0004","16.4388","0.0005","90","","90","","90","","1412.62","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 O Re S4 -","- C8 H17 O Re S4 -","- C32 H68 O4 Re4 S16 -","4","1","","De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne","Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study.","Physical chemistry chemical physics : PCCP","2010","12","31","8792","8803","10.1039/b925050f","","","0.71073","MoKα","","0.0555","0.0325","","0.0469","0.029","0.029","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212331","8.1618","0.0005","16.1619","0.0006","10.9861","0.0006","90","","102.115","0.002","90","","1416.9","0.13","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H17 O Re S4 -","- C8 H17 O Re S4 -","- C32 H68 O4 Re4 S16 -","4","1","","De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne","Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study.","Physical chemistry chemical physics : PCCP","2010","12","31","8792","8803","10.1039/b925050f","","","0.71073","MoKα","","0.1061","0.0609","","0.1126","0.0694","0.0644","","","","","","1.0655","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212333","3.703","0.004","14.572","0.017","10.573","0.013","90","","96.34","0.019","90","","567","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1.2.3.5-Tetrafluorobenzene","1.2.3.5-Tetrafluorobenzene","","- C6 H2 F4 -","- C6 H2 F4 -","- C24 H8 F16 -","4","1","","Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","C‒H⋯F‒C hydrogen bonding in 1,2,3,5-tetrafluorobenzene and other fluoroaromatic compounds and the crystal structure of alloxan revisited","CrystEngComm","2010","12","7","2079","","10.1039/b925082d","","","0.71073","MoKα","","0.1133","0.0671","","","0.1502","0.1767","","","","","","0.976","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212334","15.057","0.004","9.896","0.002","16.909","0.004","90","","105.425","0.003","90","","2428.8","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Co N4 O4 -","- C26 H28 Co N4 O4 -","- C104 H112 Co4 N16 O16 -","4","1","","Blake, Karyn M.; Johnston, Lindsey L.; Nettleman, Joseph H.; Supkowski, Ronald M.; LaDuca, Robert L.","Cobalt phenylenediacetate coordination polymers containing long-spanning dipyridyl ligands: rectangular grid, primitive cubic, and 5-connected Archimedean layered net topologies","CrystEngComm","2010","12","6","1927","","10.1039/b925239h","","","0.71073","MoKα","","0.06","0.0391","","","0.0834","0.0914","","","","","","1.022","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212335","5.6877","0.001","10.5913","0.0018","12.901","0.002","87.32","0.003","79.649","0.003","81.61","0.003","756.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Co N4 O8 -","- C26 H28 Co N4 O8 -","- C26 H28 Co N4 O8 -","1","0.5","","Blake, Karyn M.; Johnston, Lindsey L.; Nettleman, Joseph H.; Supkowski, Ronald M.; LaDuca, Robert L.","Cobalt phenylenediacetate coordination polymers containing long-spanning dipyridyl ligands: rectangular grid, primitive cubic, and 5-connected Archimedean layered net topologies","CrystEngComm","2010","12","6","1927","","10.1039/b925239h","","","0.71073","MoKα","","0.0611","0.0563","","","0.1817","0.1863","","","","","","1.093","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212336","33.323","0.002","9.3186","0.0006","37.814","0.003","90","","106.85","0.001","90","","11238","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H75 Cl Co N8 O21 -","- C42 H49 Cl Co N8 O9.5 -","- C336 H392 Cl8 Co8 N64 O76 -","8","1","","Blake, Karyn M.; Johnston, Lindsey L.; Nettleman, Joseph H.; Supkowski, Ronald M.; LaDuca, Robert L.","Cobalt phenylenediacetate coordination polymers containing long-spanning dipyridyl ligands: rectangular grid, primitive cubic, and 5-connected Archimedean layered net topologies","CrystEngComm","2010","12","6","1927","","10.1039/b925239h","","","0.71073","MoKα","","0.1321","0.1038","","","0.2909","0.3048","","","","","","1.1","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212338","10.014","0.003","17.88","0.006","18.207","0.006","101.013","0.007","97.413","0.007","96.628","0.006","3140.2","1.8","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H54 Cl N4 O12 Rh -","- C57 H39 Cl N4 O12 Rh -","- C114 H78 Cl2 N8 O24 Rh2 -","2","1","","Yamazaki, Shin-ichi; Yamada, Yusuke; Takeda, Sahori; Goto, Midori; Ioroi, Tsutomu; Siroma, Zyun; Yasuda, Kazuaki","Effects of p-substituents on electrochemical CO oxidation by Rh porphyrin-based catalysts.","Physical chemistry chemical physics : PCCP","2010","12","31","8968","8976","10.1039/b925413g","","","0.71073","MoKα","","0.2377","0.094","","","0.2082","0.2563","","","","","","0.776","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212339","23.601","0.006","9.222","0.002","39.715","0.009","90","","91.825","0.005","90","","8640","3","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H42 Cl N4 O5 Rh -","- C50 H42 Cl N4 O5 Rh -","- C400 H336 Cl8 N32 O40 Rh8 -","8","1","","Yamazaki, Shin-ichi; Yamada, Yusuke; Takeda, Sahori; Goto, Midori; Ioroi, Tsutomu; Siroma, Zyun; Yasuda, Kazuaki","Effects of p-substituents on electrochemical CO oxidation by Rh porphyrin-based catalysts.","Physical chemistry chemical physics : PCCP","2010","12","31","8968","8976","10.1039/b925413g","","","0.71073","MoKα","","0.1347","0.0811","","","0.1687","0.187","","","","","","1.026","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212340","5.8478","0.0003","9.108","0.0005","11.0349","0.0006","91.713","0.003","93.054","0.003","97.672","0.003","581.24","0.05","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H16 I3 K Mn O15 -","- C12 H16 I3 K Mn O15 -","- C12 H16 I3 K Mn O15 -","1","1","","Lv, Yao-Kang; Zhan, Cai-Hong; Feng, Yun-Long","A chiral manganese‒potassium heterometallic MOF with an unusual (3,7)-connected network","CrystEngComm","2010","12","10","3052","","10.1039/b925546j","","","0.71073","MoKα","","0.151","0.0278","","","0.0419","0.0684","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212341","13.3581","0.0019","18.44","0.003","7.0797","0.001","90","","90.043","0.002","90","","1743.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cu N3 O8 S -","- C15 H17 Cu N3 O8 S -","- C60 H68 Cu4 N12 O32 S4 -","4","1","","Wang, Yu; Cui, Shuxin; Wang, Lei; Zhang, Xiaoying; Li, Bo; Zhang, Jingping","Encapsulated different forms of water molecules by Cu(ii) complexes with diverse structures","CrystEngComm","2010","12","10","2734","","10.1039/b925615f","","","0.71073","MoKα","","0.0476","0.0382","","","0.0964","0.1006","","","","","","1.04","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212342","15.369","0.005","10.394","0.005","14.085","0.005","90","0.005","111.914","0.005","90","0.005","2087.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cu N3 O6 -","- C23 H17 Cu N3 O6 -","- C92 H68 Cu4 N12 O24 -","4","1","","Wang, Yu; Cui, Shuxin; Wang, Lei; Zhang, Xiaoying; Li, Bo; Zhang, Jingping","Encapsulated different forms of water molecules by Cu(ii) complexes with diverse structures","CrystEngComm","2010","12","10","2734","","10.1039/b925615f","","","0.71069","MoKα","","0.0723","0.0433","","","0.095","0.1063","","","","","","0.989","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212343","10.62","0.005","13.189","0.005","16.688","0.005","71.418","0.005","78.686","0.005","83.537","0.005","2169.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu2 N6 O19 -","- C38 H50 Cu2 N6 O19 -","- C76 H100 Cu4 N12 O38 -","2","1","","Wang, Yu; Cui, Shuxin; Wang, Lei; Zhang, Xiaoying; Li, Bo; Zhang, Jingping","Encapsulated different forms of water molecules by Cu(ii) complexes with diverse structures","CrystEngComm","2010","12","10","2734","","10.1039/b925615f","","","0.71069","MoKα","","0.0643","0.0498","","","0.1232","0.1332","","","","","","1.015","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212344","5.905","0.002","7.947","0.004","16.797","0.009","90","","97.611","0.015","90","","781.3","0.6","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","3-Ethoxycarbonyl-2-phenyl-1,5-dihydro-4,1-benzothiazepine","3-Ethoxycarbonyl-2-phenyl-1,5-dihydro-4,1-benzothiazepine","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C36 H34 N2 O4 S2 -","2","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0622","0.0454","","","0.0818","0.0874","","","","","","1.076","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212345","8.5761","0.0011","9.754","0.0011","10.788","0.0014","65.345","0.003","73.471","0.003","72.509","0.003","768.95","0.17","140","2","140","2","","","","","","","","5","P -1","-P 1","2","(R*)-3-Ethoxycarbonyl-2-phenyl-3,5-dihydro-4,1-benzothiazepine","(R*)-3-Ethoxycarbonyl-2-phenyl-3,5-dihydro-4,1-benzothiazepine","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C36 H34 N2 O4 S2 -","2","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.56089","AgKα","","0.0307","0.0294","","","0.0742","0.0751","","","","","","1.094","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212346","7.7574","0.0001","11.3316","0.0002","17.9221","0.0003","90","","90","","90","","1575.42","0.04","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-Ethoxycarbonyl-2-(4-chlorophenyl)-1,5-dihydro-4,1- benzothiazepine","3-Ethoxycarbonyl-2-(4-chlorophenyl)-1,5-dihydro-4,1-benzothiazepine","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C76 H76 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","1.54187","CuKα","","0.0275","0.027","","","0.0697","0.0699","","","","","","1.063","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212347","12.955","0.0004","7.1696","0.0002","18.6157","0.0008","90","","109.082","0.002","90","","1634.06","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(R*)-3-Ethoxycarbonyl-2-(4-chlorophenyl)-3,5-dihydro-4,1- benzothiazepine","(R*)-3-Ethoxycarbonyl-2-(4-chlorophenyl)-3,5-dihydro-4,1-benzothiazepine","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C76 H76 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0634","0.0444","","","0.0848","0.0919","","","","","","1.045","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212348","8.005","0.004","10.923","0.003","18.797","0.007","90","","90","","90","","1643.6","1.1","99","2","99","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-Ethoxycarbonyl-2-(4-methylphenyl)-1,5-dihydro-4,1- benzothiazepine","3-Ethoxycarbonyl-2-(4-methylphenyl)-1,5-dihydro-4,1-benzothiazepine","","- C18 H16 Cl N O2 S -","- C18 H16 Cl N O2 S -","- C72 H64 Cl4 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0517","0.0496","","","0.1148","0.1162","","","","","","1.257","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212349","12.699","0.002","7.2028","0.0009","18.542","0.003","90","","108.578","0.006","90","","1607.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(R*)-3-Ethoxycarbonyl-2-(4-methylphenyl)-3,5-dihydro-4,1- benzothiazepine","(R*)-3-Ethoxycarbonyl-2-(4-methylphenyl)-3,5-dihydro-4,1-benzothiazepine","","- C18 H16 Cl N O2 S -","- C18 H16 Cl N O2 S -","- C72 H64 Cl4 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0352","0.0313","","","0.075","0.0769","","","","","","1.096","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212350","15.2508","0.0004","9.1719","0.0003","14.8923","0.0004","90","","115.92","0.002","90","","1873.57","0.1","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-Ethoxycarbonyl-3-(4-chlorophenyl)-4,5-dihydro-7,8-dimethoxy- 1,4-benzothiazepine","2-Ethoxycarbonyl-3-(4-chlorophenyl)- 4,5-dihydro-7,8-dimethoxy-1,4-benzothiazepine","","- C20 H20 Cl N O4 S -","- C20 H20 Cl N O4 S -","- C80 H80 Cl4 N4 O16 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","1.54187","CuKα","","0.1311","0.0729","","","0.169","0.2473","","","","","","1.193","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212351","11.741","0.0006","11.741","0.0006","13.3199","0.0013","90","","90","","120","","1590.16","0.19","294","2","294","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C2.5 H1.5 Mn0.75 N2 O2 -","- C2.5 H1.5 Mn0.75 N2 O2 -","- C30 H18 Mn9 N24 O24 -","12","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Yang, Ching-Chun; Wang, Chih-Chieh","Synthesis, structure and hydrogen adsorption of a novel porous metal‒organic framework, Mn9(btt)2(HCOO)12·0.7DMF·0.9H2O, where btt = 1,3,5-benzenetristetrazolate","CrystEngComm","2010","12","10","3033","","10.1039/b925769a","","","0.71073","MoKα","","0.0524","0.049","","","0.1004","0.1019","","","","","","1.201","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212352","27.353","0.004","17.844","0.003","10.6753","0.0017","90","","90","","90","","5210.5","1.4","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C41 H46 Cu2 N2 O16 -","- C41 H46 Cu2 N2 O16 -","- C164 H184 Cu8 N8 O64 -","4","0.5","","Liang, Li-Li; Zhang, Jun; Ren, Shi-Bin; Ge, Gen-Wu; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Rational synthesis of a microporous metal‒organic framework with PtS topology using a semi-rigid tetrahedral linker","CrystEngComm","2010","12","7","2008","","10.1039/b925903a","","","0.71073","MoKα","","0.0578","0.0463","","","0.1144","0.1185","","","","","","1.094","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212353","7.9185","0.0019","9.3721","0.0017","9.958","0.002","66.366","0.011","89.136","0.018","87.928","0.017","676.6","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 N8 Na2 Ni O6 -","- C20 H28 N8 Na2 Ni O6 -","- C20 H28 N8 Na2 Ni O6 -","1","0.5","","Chen, Xi; Qiao, Shan-Bao; Liu, Dong; Lang, Jian-Ping; Zhang, Yong; Xu, Cheng; Ma, Shu-Lin","Solvent effects on the assembly of Ni/Na coordination polymers from reactions of [Ni(acac)2(H2O)2] with sodium dicyanamide","CrystEngComm","2010","12","5","1610","","10.1039/b925912k","","","0.7107","MoKα","","0.0606","0.0464","","","0.1068","0.1181","","","","","","1.078","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7212354","22.33","0.004","10.9143","0.0015","17.122","0.003","90","","116.89","0.004","90","","3721.7","1.1","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N4 Na Ni O4 -","- C14 H17 N4 Na Ni O4 -","- C112 H136 N32 Na8 Ni8 O32 -","8","1","","Chen, Xi; Qiao, Shan-Bao; Liu, Dong; Lang, Jian-Ping; Zhang, Yong; Xu, Cheng; Ma, Shu-Lin","Solvent effects on the assembly of Ni/Na coordination polymers from reactions of [Ni(acac)2(H2O)2] with sodium dicyanamide","CrystEngComm","2010","12","5","1610","","10.1039/b925912k","","","0.7107","MoKα","","0.0582","0.0458","","","0.0926","0.0982","","","","","","1.112","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212357","9.0281","0.0004","9.0281","0.0004","24.638","0.0017","90","","90","","90","","2008.16","0.19","173","2","173","2","","","","","","","","6","I -4","I -4","82","","","","- C42 H54 N6 Ni O8 S -","- C42 H54 N6 Ni O8 S -","- C84 H108 N12 Ni2 O16 S2 -","2","0.25","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.0815","0.067","","","0.1566","0.1625","","","","","","1.039","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212358","8.9069","0.001","13.303","0.0015","14.6187","0.0017","81.002","0.002","88.549","0.002","80.563","0.002","1687.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Hg I4 N6 Ni -","- C30 H22 Hg I4 N6 Ni -","- C60 H44 Hg2 I8 N12 Ni2 -","2","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.032","0.0263","","","0.0563","0.058","","","","","","1.07","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212359","8.8394","0.0007","13.6356","0.001","13.7228","0.001","83.93","0.002","76.683","0.003","78.476","0.003","1574","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H33 N6 Ni O8.5 S -","- C33 H32 N6 Ni O8.5 S -","- C66 H64 N12 Ni2 O17 S2 -","2","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.0353","0.0337","","","0.1013","0.1028","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212360","10.5753","0.0008","22.7664","0.0017","16.4343","0.0012","90","","94.515","0.002","90","","3944.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 Co N6 O13 S -","- C36 H47 Co N6 O13 S -","- C144 H188 Co4 N24 O52 S4 -","4","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.1277","0.0522","","","0.0692","0.0772","","","","","","1.009","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212361","19.6431","0.0005","20.4335","0.0005","17.5714","0.0004","90","","96.217","0.003","90","","7011.3","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 B2 Co F8 N6 O6.5 -","- C30 H21 B2 Co F8 N6 O6.5 -","- C240 H168 B16 Co8 F64 N48 O52 -","8","1","","McMurtrie, John; Dance, Ian","Alternative metal grid structures formed by [M(terpy)2]2+ and [M(terpyOH)2]2+ complexes with small and large tetrahedral dianions, and by [Ru(terpy)2]0","CrystEngComm","2010","12","10","2700","","10.1039/b926074a","","","0.71073","MoKα","","0.1151","0.072","","","0.1901","0.2046","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212362","22.045","0.0003","9.268","0.0002","17.8038","0.0004","90","","124.751","0.001","90","","2988.74","0.11","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","1","","Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa","‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB)","Green Chemistry","2010","12","6","1090","","10.1039/b926085d","","","0.71073","MoKα","","0.0724","0.0411","","","0.1091","0.1357","","","","","","1.045","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212363","7.1337","0.0002","26.8903","0.0009","7.6505","0.0003","90","","90.614","0.001","90","","1467.49","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O6 -","- C15 H17 N O6 -","- C60 H68 N4 O24 -","4","1","","Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa","‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB)","Green Chemistry","2010","12","6","1090","","10.1039/b926085d","","","0.71073","MoKα","","0.0945","0.0561","","","0.1623","0.1833","","","","","","1.042","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212364","9.1168","0.0003","13.8294","0.0004","17.2443","0.0006","90","","90","","90","","2174.16","0.12","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C104 H104 N8 O16 -","8","1","","Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa","‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB)","Green Chemistry","2010","12","6","1090","","10.1039/b926085d","","","0.71073","MoKα","","0.1157","0.0557","","","0.1185","0.1488","","","","","","1.022","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212365","8.449","0.0008","11.2583","0.0012","12.0738","0.0012","90","","90","","90","","1148.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O5 -","- C11 H13 N O5 -","- C44 H52 N4 O20 -","4","1","","Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa","‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB)","Green Chemistry","2010","12","6","1090","","10.1039/b926085d","","","0.71073","MoKα","","0.05","0.0366","","","0.0819","0.0885","","","","","","1.044","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212366","7.174","0.002","12.459","0.003","35.802","0.004","90","","90","","90","","3200","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-(DL)-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H34 N4 O13 -","- C132 H136 N16 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0864","0.08","","","0.2101","0.2146","","","","","","1.092","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212367","12.559","0.002","7.069","0.002","35.388","0.004","90","","92.13","0.03","90","","3139.6","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-D-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H42 N4 O13 -","- C132 H168 N16 O52 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.055","0.0405","","","0.0803","0.0837","","","","","","1.003","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212368","17.561","0.004","12.479","0.003","23.694","0.004","90","","101.91","0.03","90","","5081","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(4-nitrobenzoyl)-L-serinate 1.66-hydrate methanol 1.66-solvate","brucinium N-(4-nitrobenzoyl)-L-serinate 1.66-hydrate methanol 1.66-solvate","","- C34.67 H46 N4 O13.33 -","- C34.6667 H46 N4 O13.3333 -","- C208 H276 N24 O80 -","6","3","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.079","0.0587","","","0.1267","0.1344","","","","","","1.061","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212369","7.745","0.002","12.322","0.002","35.716","0.004","90","","90","","90","","3408.5","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-(D!0.85$L!0.15$)-serinate methanol disolvate","brucinium N-(4-nitrobenzoyl)-(D~0.85~L~0.15~)-serinate methanol disolvate","","- C35 H44 N4 O12 -","- C35 H44 N4 O12 -","- C140 H176 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0515","0.0382","","","0.0868","0.0906","","","","","","0.984","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212370","7.706","0.002","12.31","0.003","35.644","0.005","90","","90","","90","","3381.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-D-serinate methanol disolvate","","- C35 H44 N4 O12 -","- C35 H44 N4 O12 -","- C140 H176 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1481","0.0713","","","0.1624","0.2392","","","","","","0.999","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212371","10.494","0.002","13.966","0.002","26.751","0.003","90","","90","","90","","3920.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate methanol tetrasolvate","","- C37 H52 N4 O14 -","- C37 H52 N4 O14 -","- C148 H208 N16 O56 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1372","0.0768","","","0.2104","0.2285","","","","","","1.007","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212372","7.85","0.002","12.477","0.002","33.105","0.004","90","","92.58","0.03","90","","3239.2","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-D-serinate 3.25-hydrate","","- C33 H42.5 N4 O13.25 -","- C33 H42.5 N4 O13.25 -","- C132 H170 N16 O53 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1103","0.0467","","","0.0828","0.0964","","","","","","0.895","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212373","7.371","0.003","12.151","0.004","19.098","0.005","90","","91.31","0.03","90","","1710.1","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H46 N4 O14.5 -","- C33 H40.832 N4 O14.5 -","- C66 H81.664 N8 O29 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1519","0.0904","","","0.2477","0.2762","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212374","7.996","0.003","33.138","0.005","12.679","0.003","90","","93.59","0.03","90","","3353","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(4-nitrobenzoyl)-L-serinate tetrahydrate","","- C33 H44 N4 O14 -","- C33 H41.9185 N4 O14.0415 -","- C132 H167.674 N16 O56.166 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0725","0.0587","","","0.1493","0.1566","","","","","","1.046","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212375","17.499","0.004","12.426","0.004","23.627","0.005","90","","102.14","0.03","90","","5023","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(4-nitrobenzoyl)-L-serinate 3.11-hydrate ethanol 0.22-solvate","brucinium N-(4-nitrobenzoyl)-L-serinate 3.11-hydrate ethanol 0.22-solvate","","- C33.44 H43.54 N4 O13.33 -","- C33.4453 H35 N4 O13.3333 -","- C200.672 H210 N24 O80 -","6","3","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.2349","0.1028","","","0.1803","0.2203","","","","","","1.004","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212376","9.332","0.002","12.953","0.003","26.793","0.005","90","","90","","90","","3238.7","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate ethanol solvate","","- C35 H42 N4 O11 -","- C35 H42 N4 O11 -","- C140 H168 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0476","0.0416","","","0.1014","0.1038","","","","","","1.063","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212377","9.641","0.002","10.308","0.002","33.653","0.004","90","","90","","90","","3344.4","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate ethanol solvate","","- C35 H42 N4 O11 -","- C35 H36 N4 O11 -","- C140 H144 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0561","0.0397","","","0.098","0.1095","","","","","","1.037","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212378","11.2635","0.0005","9.8212","0.0005","10.1458","0.0003","90","","102.981","0.002","90","","1093.66","0.08","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H17 F3 Ga N2 O3 P -","- C6 H17 F3 Ga N2 O3 P -","- C24 H68 F12 Ga4 N8 O12 P4 -","4","1","","Huang, Liangliang; Song, Tianyou; Zhang, Lirong; Chen, Yanli; Jiang, Jinhua; Xu, Jianing; Wang, Li","Synthesis, crystal structure and characterization of a new layered gallium phosphite Ga(HPO3)F3·(trans-C6N2H16) with left- and right-handed helical chains","CrystEngComm","2010","12","7","2198","","10.1039/b926096j","","","0.71073","MoKα","","0.0386","0.0289","","","0.0743","0.0788","","","","","","1.042","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212379","9.9151","0.0001","14.063","0.0002","14.5961","0.0002","73.414","0.001","81.794","0.001","82.517","0.001","1921.96","0.04","123","2","123","2","","","","","","","","3","P -1","-P 1","2","(B1),(B2):(B3),(B4)-Bis(ethylene)-(3'E,8E)-3'-(2-(B1)oxy-3- methoxybenzylidene)-8-(2-(B2)oxy-3-methoxybenzylidene)-3-(2-(B3)oxy-3- methoxyphenyl)-4-(2-(B4)oxy-3-methoxyphenyl)-3,4,5,6,7,8- hexahydrospiro(chromene-2,1'-cyclohexan)-2'-one","[B1],[B2]:[B3],[B4]-Bis(ethylene)-(3'E,8E)-3'-(2-[B1]oxy-3-methoxybenzylidene)- 8-(2-[B2]oxy-3-methoxybenzylidene)-3-(2-[B3]oxy-3-methoxyphenyl)-4-(2-[B4]oxy- 3-methoxyphenyl)-3,4,5,6,7,8-hexahydrospiro[chromene-2,1'-cyclohexan]-2'-one","","- C48 H48 O10 -","- C48 H48 O10 -","- C96 H96 O20 -","2","1","","Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R.","Closing the cavity: reactive and light switchable dienone-ether macrocycles","CrystEngComm","2010","12","10","2803","","10.1039/b926132j","","x-ray","0.71073","MoKα","","0.0615","0.0415","","","0.0898","0.0973","","","","","","1.042","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212380","15.7123","0.0002","17.7118","0.0003","8.1342","0.0005","90","","90","","90","","2263.69","0.15","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(1E,11E,16Z,26Z)-3,4:9,10:18,19:24,25-Tetrabenzo-14,29- dimethyl-5,8,20,23-tetraoxa-tricyclo(25.3.1.1(12,16))dotriaconta- 1,3,9,11,16,18,24,26-octaene-31,32-dione chloroform solvate","(1E,11E,16Z,26Z)-3,4:9,10:18,19:24,25-Tetrabenzo-14,29-dimethyl-5,8,20,23- tetraoxa-tricyclo[25.3.1.1(12,16)]dotriaconta-1,3,9,11,16,18,24,26-octaene- 31,32-dione chloroform solvate","","- C24 H23 Cl3 O3 -","- C24 H23 Cl3 O3 -","- C96 H92 Cl12 O12 -","4","1","","Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R.","Closing the cavity: reactive and light switchable dienone-ether macrocycles","CrystEngComm","2010","12","10","2803","","10.1039/b926132j","","x-ray","0.71073","MoKα","","0.0688","0.0414","","","0.0757","0.0841","","","","","","1.021","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212381","15.2347","0.0005","9.1731","0.0003","16.4115","0.0007","90","","91.89","0.03","90","","2292.25","0.15","298","2","298","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","(1E,11E,16Z,27Z)-3,4:9,10:18,19:25,26-Tetrabenzo-5,8,20,24- tetraoxa-tricyclo(26.3.1.1(12,16))tritriaconta-1,3,9,11,16,18,25,27- octaene-32,33-dione chloroform solvate","(1E,11E,16Z,27Z)-3,4:9,10:18,19:25,26-Tetrabenzo-5,8,20,24-tetraoxa- tricyclo[26.3.1.1(12,16)]tritriaconta-1,3,9,11,16,18,25,27-octaene-32,33-dione chloroform solvate","","- C23.5 H22 Cl3 O3 -","- C23.5 H22 Cl3.01 O3 -","- C94 H88 Cl12.04 O12 -","4","1","","Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R.","Closing the cavity: reactive and light switchable dienone-ether macrocycles","CrystEngComm","2010","12","10","2803","","10.1039/b926132j","","x-ray","0.71073","MoKα","","0.3581","0.1515","","","0.4033","0.4895","","","","","","1.193","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212382","13.286","0.003","5.6083","0.0012","15.808","0.003","90","","95.142","0.004","90","","1173.1","0.4","294","2","294","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Liu, Pei Nian; Xia, Fei; Wang, Qing Wei; Ren, Yu Jie; Chen, Jun Qin","Triflic acid adsorbed on silica gel as an efficient and recyclable catalyst for the addition of β-dicarbonyl compounds to alcohols and alkenes","Green Chemistry","2010","12","6","1049","","10.1039/b926142g","","","0.71073","MoKα","","0.1829","0.0734","","","0.2234","0.2822","","","","","","1.017","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212383","7.8142","0.0013","15.916","0.003","16.116","0.003","90","","90","","90","","2004.4","0.6","123.1","","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Ichikawa, Akio; Ono, Hiroshi; Takenaka, Makiko; Mikata, Yuji","Crystal conformations and molecular packing of (S)-2-methoxy-2-(9-phenanthryl)propanoic acid and a diastereomeric amide prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2010","12","7","2261","","10.1039/b926356j","","","0.7107","MoKα","","","0.0417","","","","0.1021","","","","","","1.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212384","7.3882","0.0009","12.1092","0.0016","16.307","0.002","90","","90","","90","","1458.9","0.3","123.1","","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Ichikawa, Akio; Ono, Hiroshi; Takenaka, Makiko; Mikata, Yuji","Crystal conformations and molecular packing of (S)-2-methoxy-2-(9-phenanthryl)propanoic acid and a diastereomeric amide prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2010","12","7","2261","","10.1039/b926356j","","","0.7107","MoKα","","","0.0299","","","","0.0799","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212399","5.7313","0.0007","11.8701","0.0014","18.407","0.002","72.324","0.002","85.809","0.002","79.963","0.002","1174.6","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","6-(2-hydroxyphenyl)-2,2-dimethypiperidim-4-one","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","2","","Feng, Li-Chun; Sun, Ya-Wei; Tang, Wei-Jun; Xu, Li-Jin; Lam, Kim-Lung; Zhou, Zhongyuan; Chan, Albert S. C.","Highly efficient chemoselective construction of 2,2-dimethyl-6-substituted 4-piperidones via multi-component tandem Mannich reaction in ionic liquids","Green Chemistry","2010","12","6","949","","10.1039/b926498a","","","0.71073","MoKα","","0.1233","0.0528","","","0.1274","0.1568","","","","","","1.016","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7212400","16.5817","0.0003","11.9938","0.0002","17.3483","0.0003","90","","100.137","0.0007","90","","3396.33","0.1","296.2","","296","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C43 H34 N4 -","- C43 H34 N4 -","- C172 H136 N16 -","4","1","","Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi","Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability.","Physical chemistry chemical physics : PCCP","2010","12","28","7772","7774","10.1039/b926570h","","","1.5419","CuKα","","","0.0493","","","","0.1623","","","","","","2.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212401","16.5256","0.0003","12.1737","0.0002","17.4298","0.0003","90","","100.75","0.0007","90","","3444.95","0.1","296.2","","296","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H34 N4 O2 -","- C42 H34 N4 O2 -","- C168 H136 N16 O8 -","4","1","","Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi","Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability.","Physical chemistry chemical physics : PCCP","2010","12","28","7772","7774","10.1039/b926570h","","","1.5419","CuKα","","","0.0501","","","","0.1629","","","","","","2.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212402","26.2828","0.0019","13.503","0.0009","21.8199","0.0016","90","","106.818","0.004","90","","7412.6","0.9","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75.8 H63.2 Br3 Mn3 N9 O15 -","- C75.8 H63.2 Br3 Mn3 N9 O15 -","- C303.2 H252.8 Br12 Mn12 N36 O60 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Coronado, Eugenio; Housecroft, Catherine E.; Neuburger, Markus","Not just size and shape: spherically symmetrical d5 and d10 metal ions give different coordination nets with 4,2′:6′,4″-terpyridines","CrystEngComm","2010","12","7","2139","","10.1039/b926597j","","","0.71073","MoKα","","0.1143","0.0444","","0.0769","0.0465","0.0465","","","","","","1.1229","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212403","26.0368","0.0008","15.0774","0.0005","8.0056","0.0003","90","","107.238","0.002","90","","3001.57","0.18","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 Br N3 O8 Zn2 -","- C29 H26 Br N3 O8 Zn2 -","- C116 H104 Br4 N12 O32 Zn8 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Coronado, Eugenio; Housecroft, Catherine E.; Neuburger, Markus","Not just size and shape: spherically symmetrical d5 and d10 metal ions give different coordination nets with 4,2′:6′,4″-terpyridines","CrystEngComm","2010","12","7","2139","","10.1039/b926597j","","","0.71073","MoKα","","0.0476","0.026","","0.0441","0.0285","0.0285","","","","","","1.0291","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212404","8.1338","0.0004","14.902","0.0007","25.27","0.001","90","","90.457","0.003","90","","3062.9","0.2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N3 O8 S Zn2 -","- C30 H29 N3 O8 S Zn2 -","- C120 H116 N12 O32 S4 Zn8 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Coronado, Eugenio; Housecroft, Catherine E.; Neuburger, Markus","Not just size and shape: spherically symmetrical d5 and d10 metal ions give different coordination nets with 4,2′:6′,4″-terpyridines","CrystEngComm","2010","12","7","2139","","10.1039/b926597j","","","0.71073","MoKα","","0.0861","0.0389","","0.1174","0.0406","0.0406","","","","","","1.1055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212405","7.8681","0.0016","26.63","0.005","13.461","0.003","90","","100.53","0.03","90","","2773","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 I4 N3 Zn -","- C23 H21 I4 N3 Zn -","- C92 H84 I16 N12 Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0296","0.0281","","","0.0679","0.0688","","","","","","1.138","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212406","7.9794","0.0005","16.857","0.0013","23.6586","0.0015","90","","95.413","0.005","90","","3168.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 I4 N4 Zn -","- C27 H28 I4 N4 Zn -","- C108 H112 I16 N16 Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0346","0.0341","","","0.084","0.0843","","","","","","1.154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212407","8.1857","0.0016","19.653","0.004","13.625","0.003","90","","100.45","0.03","90","","2155.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O4 Zn -","- C25 H21 N3 O4 Zn -","- C100 H84 N12 O16 Zn4 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0268","0.0264","","","0.0698","0.0701","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212408","26.1802","0.0006","15.2942","0.0006","8.0478","0.0002","90","","107.449","0.002","90","","3074.1","0.16","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29.3 H27.6 Cl0.6 N3 O8 Zn2 -","- C29.3 H27.6 Cl0.6 N3 O8 Zn2 -","- C117.2 H110.4 Cl2.4 N12 O32 Zn8 -","4","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine","CrystEngComm","2010","12","7","2146","","10.1039/b926598h","","","0.71073","MoKα","","0.0489","0.0343","","0.0566","0.0323","0.03","","","","","","1.0449","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212409","24.3822","0.0019","12.6226","0.001","10.0392","0.0008","90","","95.283","0.002","90","","3076.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cu2 N2 O8 -","- C33 H30 Cu2 N2 O8 -","- C132 H120 Cu8 N8 O32 -","4","1","","Sposato, Laura K.; Nettleman, Joseph A.; LaDuca, Robert L.","Isomer dependent self-penetrated topologies and cluster subunits in copper phenylenediacetate coordination polymers with flexible dipyridyl ligands","CrystEngComm","2010","12","8","2374","","10.1039/b926914b","","","0.71073","MoKα","","0.0577","0.0417","","","0.0981","0.1042","","","","","","1.059","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212410","9.8148","0.0012","10.9124","0.0014","14.4129","0.0016","96.247","0.004","106.864","0.002","109.411","0.002","1356.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 Cu2 N2 O8 -","- C28 H29 Cu2 N2 O8 -","- C56 H58 Cu4 N4 O16 -","2","1","","Sposato, Laura K.; Nettleman, Joseph A.; LaDuca, Robert L.","Isomer dependent self-penetrated topologies and cluster subunits in copper phenylenediacetate coordination polymers with flexible dipyridyl ligands","CrystEngComm","2010","12","8","2374","","10.1039/b926914b","","","0.71073","MoKα","","0.0314","0.0259","","","0.0649","0.0678","","","","","","1.045","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212411","10.3429","0.0005","27.917","0.001","18.849","0.001","90","","101.261","0.005","90","","5337.7","0.4","120","1","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C178 H70 Cl4 N8 -","- C178 H70 Cl4 N8 -","- C356 H140 Cl8 N16 -","2","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Lyubovskaya, Rimma N.","The formation of diamagnetic singly bonded (C70−)2 dimers in ionic complexes of fullerene C70 with tetrakis(dimethylaminoethylene)","CrystEngComm","2010","12","11","3542","","10.1039/b927130a","","","0.7107","MoKα","","0.066","0.0475","","","0.113","0.12","","","","","","1.07","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212412","16.919","0.001","17.141","0.001","18.257","0.002","90","","110.19","0.01","90","","4969.3","0.8","100","1","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C172 H56 Cl4 N8 -","- C172.005 H56.0032 Cl4.0016 N8 -","- C344.01 H112.006 Cl8.0032 N16 -","2","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Lyubovskaya, Rimma N.","The formation of diamagnetic singly bonded (C70−)2 dimers in ionic complexes of fullerene C70 with tetrakis(dimethylaminoethylene)","CrystEngComm","2010","12","11","3542","","10.1039/b927130a","","","0.71073","MoKα","","0.0586","0.0458","","","0.1199","0.1266","","","","","","1.084","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212413","8.9751","0.0003","24.4278","0.0006","12.0085","0.0003","90","","107.797","0.003","90","","2506.78","0.13","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H42 Co2 N4 O19 -","- C30 H16 Co2 N4 O19.06 -","- C60 H32 Co4 N8 O38.12 -","2","0.25","","Hao, Hong-Qing; Lin, Zhuo-Jia; Hu, Sheng; Liu, Wen-Ting; Zheng, Yan-Zhen; Tong, Ming-Liang","Nanoporous metal‒organic framework comprising of 1D cobalt oxalate chains and flexible ligands exhibiting both dynamic gas adsorption and antiferromagnetic chain behaviours","CrystEngComm","2010","12","7","2225","","10.1039/b927200c","","","1.54178","CuKα","","0.1101","0.0925","","","0.2354","0.2636","","","","","","1.074","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212414","8.5597","0.0003","9.3106","0.0002","15.2765","0.0004","100.454","0.002","97.874","0.001","109.096","0.001","1105.84","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C52 H52 N8 O4 -","2","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0807","0.0566","","","0.1521","0.1695","","","","","","1.061","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212415","10.7498","0.0002","16.8606","0.0003","24.8963","0.0006","90","","99.305","0.001","90","","4453.03","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Cu N4 O2 -","- C27 H22 Cu N4 O2 -","- C216 H176 Cu8 N32 O16 -","8","2","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0584","0.0402","","","0.0978","0.107","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212416","10.1522","0.0002","11.1044","0.0002","20.8685","0.0004","84.771","0.001","86.217","0.001","67.198","0.001","2158.51","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H49 Co N6 O7 -","- C48 H49 Co N6 O7 -","- C96 H98 Co2 N12 O14 -","2","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0782","0.0581","","","0.1508","0.1643","","","","","","1.04","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212417","13.7544","0.0003","14.2777","0.0003","14.5027","0.0006","100.014","0.001","92.705","0.001","117.282","0.001","2466.34","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H48 N8 Zn -","- C62 H48 N8 Zn -","- C124 H96 N16 Zn2 -","2","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0464","0.0363","","","0.0849","0.0906","","","","","","1.023","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212418","9.4224","0.0003","14.623","0.0004","24.5401","0.0007","90","","92.226","0.001","90","","3378.68","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 Cu N8 -","- C44 H30 Cu N8 -","- C176 H120 Cu4 N32 -","4","1","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0695","0.0511","","","0.124","0.133","","","","","","1.055","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212419","12.724","0.0006","14.9607","0.0007","9.1463","0.0004","90","","109.72","0.002","90","","1638.98","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 N8 Ni -","- C44 H30 N8 Ni -","- C88 H60 N16 Ni2 -","2","0.5","","Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais","Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin","CrystEngComm","2010","12","7","2238","","10.1039/b927348d","","","0.71073","MoKα","","0.0717","0.0601","","","0.193","0.2059","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212420","5.3769","0.0004","11.3121","0.0008","16.9006","0.0011","101.325","0.003","96.441","0.003","103.112","0.003","968.36","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bis(nicotinamide).(citric acid)","bis(nicotinamide).(citric acid)","","- C18 H20 N4 O9 -","- C18 H20 N4 O9 -","- C36 H40 N8 O18 -","2","1","","Lemmerer, Andreas; Bernstein, Joel","The co-crystal of two GRAS substances: (citric acid)·(nicotinamide). Formation of four hydrogen bonding heterosynthons in one co-crystal","CrystEngComm","2010","12","7","2029","","10.1039/b927422g","","","0.71073","MoKα","","0.0791","0.0428","","","0.1086","0.1261","","","","","","1.034","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212421","9.288","0.002","14.508","0.003","14.752","0.003","108.497","0.004","101.088","0.004","91.485","0.004","1841.9","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H24 N4 O20.5 -","- C34 H24 N4 O20.5 -","- C68 H48 N8 O41 -","2","1","","Yang, Yong; Xue, Min; Chen, Chuan-Feng","Nanotoroidal tubule assembled from a functionalized oxacalix[4]arene","CrystEngComm","2010","12","11","3502","","10.1039/b927446d","","","0.71073","MoKα","","0.1491","0.069","","","0.1694","0.2146","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212422","29.812","0.006","9.6688","0.0019","18.052","0.004","90","","90","","90","","5203.4","1.9","295","2","295","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C27 H28 N2 O6 Zn -","- C27 H28 N2 O6 Zn -","- C216 H224 N16 O48 Zn8 -","8","","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.0659","0.0412","","","0.0746","0.0828","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212423","11.703","0.002","18.55","0.004","11.954","0.002","90","","99.55","0.03","90","","2559.1","0.9","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N2 O4 Zn -","- C29 H28 N2 O4 Zn -","- C116 H112 N8 O16 Zn4 -","4","1","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.1214","0.0521","","","0.1143","0.1844","","","","","","1.132","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212424","12.03","0.002","13.949","0.003","12.384","0.003","90","","91.3","0.03","90","","2077.6","0.8","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H40 N4 O10 Zn2 -","- C42 H40 N4 O10 Zn2 -","- C84 H80 N8 O20 Zn4 -","2","1","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.1234","0.0728","","","0.1771","0.2011","","","","","","1.029","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212425","10.504","0.002","15.411","0.003","20.264","0.004","90","","90","","90","","3280.3","1.1","293","2","295","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H14 N2 O4 Zn -","- C17 H14 N2 O4 Zn -","- C136 H112 N16 O32 Zn8 -","8","1","","Zheng, Yue-Qing; Zhang, Jie; Liu, Ji-Yong","New Zn(ii) coordination polymers with 1,3-bis(4-pyridyl)-propane: syntheses, crystal structures and properties","CrystEngComm","2010","12","10","2740","","10.1039/b927448k","","","0.71073","MoKα","","0.0822","0.0416","","","0.0698","0.0886","","","","","","1.068","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212426","12.283","0.003","13.386","0.003","13.931","0.003","102.14","0.03","101.47","0.03","95.13","0.03","2173.9","1","99","2","99","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H35.5 Mn3 N2.5 O14.5 -","- C43.5 H32 Mn3 N2.5 O14.5 -","- C87 H64 Mn6 N5 O29 -","2","1","","Jeong, Sehyun; Choi, Jungwook; Park, Mira; Oh, Minhak; Moon, Dohyun; Lah, Myoung Soo","A microporous metal‒organic framework constructed from a 1D column made of linear trinuclear manganese secondary building units","CrystEngComm","2010","12","7","2179","","10.1039/b927590h","","","0.8","synchrotron","","0.0592","0.0475","","","0.1295","0.1354","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212427","12.8954","0.001","12.1734","0.0009","22.9113","0.0017","90","","96.499","0.001","90","","3573.5","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Ag4 N8 O14 S2 -","- C26 H32 Ag4 N8 O14 S2 -","- C104 H128 Ag16 N32 O56 S8 -","4","1","","Zheng, Xiao-Feng; Zhu, Long-Guan","Diverse structural assemblies and variable conductivities of silver-hexamethylenetetramine coordination polymers with 2-, 3-, and 4-sulfobenzoate ligands","CrystEngComm","2010","12","10","2878","","10.1039/c000028k","","","0.71073","MoKα","","0.1099","0.105","","","0.2686","0.2709","","","","","","1.189","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212428","12.3001","0.001","11.1003","0.0009","43.003","0.004","90","","90","","90","","5871.4","0.9","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H36 Ag3 N9 O12 S -","- C19 H28 Ag3 N9 O12 S -","- C152 H224 Ag24 N72 O96 S8 -","8","1","","Zheng, Xiao-Feng; Zhu, Long-Guan","Diverse structural assemblies and variable conductivities of silver-hexamethylenetetramine coordination polymers with 2-, 3-, and 4-sulfobenzoate ligands","CrystEngComm","2010","12","10","2878","","10.1039/c000028k","","","0.71073","MoKα","","0.0503","0.0364","","","0.092","0.1014","","","","","","1.06","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212429","17.116","0.0008","33.9351","0.0016","8.3694","0.0004","90","","95.924","0.001","90","","4835.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H68 Ag6 La4 N16 O50 -","- C74 H68 Ag6 La4 N16 O50 -","- C148 H136 Ag12 La8 N32 O100 -","2","0.5","","Li, Zhao-Yang; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","Novel three-dimensional Ln‒Ag 4d‒4f heteropentametallic helix-based microporous metal‒organic framework with unprecedented (3,4,5,6)-connected topology constructed from isonicotinate ligand","CrystEngComm","2010","12","7","2014","","10.1039/c000058b","","","0.71073","MoKα","","0.0554","0.0366","","","0.0717","0.0794","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212431","5.6004","0.0003","13.8743","0.0007","15.1686","0.0009","93.515","0.002","90.117","0.002","93.332","0.003","1174.4","0.11","240","2","240","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 Br S -","- C13 H11 Br S -","- C52 H44 Br4 S4 -","4","2","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71069","MoKα","","0.1112","0.0786","","","0.2028","0.2224","","","","","","1.058","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212432","30.458","0.003","5.4558","0.0006","8.0849","0.0005","90","","90.494","0.007","90","","1343.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O2 S -","- C15 H16 O2 S -","- C60 H64 O8 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0866","0.04","","","0.0876","0.1069","","","","","","1.014","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212433","8.1016","0.0003","5.30912","0.00018","16.8806","0.0005","90","","97.057","0.003","90","","720.57","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C32 H36 O4 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","1.54184","CuKα","","0.0363","0.0348","","","0.0957","0.0977","","","","","","1.084","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212434","7.8617","0.0002","22.6828","0.0006","8.5775","0.0002","90","","115.334","0.001","90","","1382.48","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 S -","- C16 H18 O2 S -","- C64 H72 O8 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0398","0.0325","","","0.0829","0.0871","","","","","","1.06","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212435","8.749","0.0009","5.333","0.0005","24.881","0.003","90","","90","","90","","1160.9","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H10 F2 O2 S -","- C13 H10 F2 O2 S -","- C52 H40 F8 O8 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0345","0.0296","","","0.0691","0.0718","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212436","15.345","0.014","5.395","0.002","8.604","0.007","90","","105.57","0.03","90","","686.2","0.9","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C30 H32 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.1135","0.0809","","","0.1918","0.2263","","","","","","1.066","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212437","13.0726","0.0006","5.289","0.0002","8.9303","0.0003","90","","90.231","0.003","90","","617.44","0.04","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C13 H10 F N O4 S -","- C13 H10 F N O4 S -","- C26 H20 F2 N2 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0272","0.0263","","","0.0667","0.0675","","","","","","1.072","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212438","17.924","0.004","9.756","0.003","8.672","0.0017","90","","92.355","0.008","90","","1515.2","0.6","291","2","291","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 O4 S -","- C16 H18 O4 S -","- C64 H72 O16 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0765","0.042","","","0.0724","0.08","","","","","","1.007","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212439","16.3313","0.0011","19.8342","0.0014","8.2586","0.0005","90","","109.308","0.002","90","","2524.6","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H12 F2 O2 S -","- C14 H12 F2 O2 S -","- C112 H96 F16 O16 S8 -","8","2","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0259","0.0249","","","0.0662","0.067","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212440","5.1397","0.0001","10.6207","0.0001","24.9841","0.0005","90","","90","","90","","1363.81","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C56 H52 N4 O20 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0302","0.028","","","0.0823","0.084","","","","","","1.207","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212441","13.691","0.003","12.8075","0.0013","7.9667","0.001","90","","93.45","0.013","90","","1394.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C56 H52 N4 O20 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0356","0.0294","","","0.0809","0.0836","","","","","","1.059","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212442","7.4697","0.0008","5.681","0.0007","14.0467","0.0016","90","","91.8","0.002","90","","595.78","0.12","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C28 H28 O4 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0399","0.0354","","","0.0786","0.081","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212443","7.0952","0.0003","12.2671","0.0005","8.6368","0.0004","90","","94.274","0.002","90","","749.64","0.06","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 O4 S -","- C16 H18 O4 S -","- C32 H36 O8 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71069","MoKα","","0.0405","0.0319","","","0.0783","0.081","","","","","","1.095","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212444","15.4234","0.0011","5.441","0.0004","8.1642","0.0005","90","","105.124","0.002","90","","661.4","0.08","180","2","180","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C30 H32 O6 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0376","0.0349","","","0.0904","0.0922","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212445","8.1909","0.0009","5.4433","0.0005","24.948","0.002","90","","90","","90","","1112.32","0.18","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H10 F2 O S -","- C13 H10 F2 O S -","- C52 H40 F8 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0324","0.0312","","","0.0818","0.0827","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212446","8.2638","0.0002","5.4277","0.0001","27.4202","0.0009","90","","90","","90","","1229.89","0.06","180","2","180","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H11 Br O S -","- C13 H11 Br O S -","- C52 H44 Br4 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0674","0.0539","","","0.1221","0.1312","","","","","","1.19","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212447","28.2961","0.0006","5.7506","0.0001","15.7264","0.0003","90","","112.159","0.001","90","","2369.99","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 O S -","- C14 H14 O S -","- C112 H112 O8 S8 -","8","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0361","0.0311","","","0.0817","0.0846","","","","","","1.061","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212448","15.5607","0.0003","5.81098","0.00011","14.3987","0.0003","90","","107.865","0.001","90","","1239.19","0.04","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F2 O S -","- C14 H12 F2 O S -","- C56 H48 F8 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","1.54187","CuKα","","0.0425","0.0394","","","0.1062","0.1088","","","","","","1.051","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212449","8.5839","0.0006","5.5077","0.0003","15.7646","0.0011","90","","104.481","0.007","90","","721.63","0.08","123","2","123","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C32 H36 O6 S2 -","2","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","1.54184","CuKα","","0.0327","0.0314","","","0.0828","0.0838","","","","","","1.063","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212450","13.5661","0.0005","5.7383","0.0002","15.7552","0.0007","90","","93.625","0.001","90","","1224.03","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F2 O S -","- C14 H12 F2 O S -","- C56 H48 F8 O4 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71069","MoKα","","0.0585","0.0418","","","0.1016","0.1113","","","","","","1.043","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212451","7.1117","0.0012","8.5497","0.0007","23.495","0.002","89.756","0.007","89.579","0.01","89.428","0.01","1428.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","2","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0415","0.0364","","","0.0855","0.0876","","","","","","1.093","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212452","12.4822","0.0015","8.0394","0.0009","14.9907","0.0009","90","","90","","90","","1504.3","0.3","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.7107","MoKα","","0.1368","0.0522","","","0.1099","0.132","","","","","","1.032","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212453","9.1481","0.001","9.4793","0.001","11.1701","0.0012","95.729","0.002","92.402","0.002","99.879","0.002","947.79","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 Ni O5 -","- C18 H20 N4 Ni O5 -","- C36 H40 N8 Ni2 O10 -","2","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0391","0.0371","","","0.0959","0.0975","","","","","","1.002","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212454","9.296","0.002","18.603","0.005","14.049","0.003","90","","129.493","0.01","90","","1874.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Co N4 O5 -","- C18 H18 Co N4 O5 -","- C72 H72 Co4 N16 O20 -","4","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71075","MoKα","","0.0621","0.0497","","","0.1178","0.1246","","","","","","1.1","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212455","10.0234","0.0016","11.8495","0.0019","12.21","0.002","110.104","0.003","107.98","0.002","95.921","0.003","1259.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd2 N4 O8 -","- C24 H26 Cd2 N4 O8 -","- C48 H52 Cd4 N8 O16 -","2","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0358","0.0342","","","0.1001","0.1018","","","","","","1.043","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212456","10.563","0.002","22.256","0.005","10.562","0.002","90","","95.04","0.008","90","","2473.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 Ni O6 -","- C26 H18 N4 Ni O6 -","- C104 H72 N16 Ni4 O24 -","4","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0689","0.0566","","","0.1524","0.1588","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212457","10.654","0.005","10.711","0.005","11.681","0.005","110.143","0.007","102.356","0.007","109.812","0.007","1091.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Co N4 O5 -","- C22 H20 Co N4 O5 -","- C44 H40 Co2 N8 O10 -","2","1","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0492","0.0402","","","0.0775","0.0802","","","","","","1","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212458","9.2547","0.0012","10.1947","0.0014","12.9233","0.0017","98.955","0.003","93.424","0.003","104.368","0.002","1160.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Mn3 N8 O14 -","- C48 H42 Mn3 N8 O14 -","- C48 H42 Mn3 N8 O14 -","1","0.5","","Chen, Shui-Sheng; Bai, Zheng-Shuai; Fan, Jian; Lv, Gao-Chao; Su, Zhi; Chen, Man-Sheng; Sun, Wei-Yin","Synthesis and characterization of metal complexes with a mixed 4-imidazole-containing ligand and a variety of multi-carboxylic acids","CrystEngComm","2010","12","10","3091","","10.1039/c000373e","","","0.71073","MoKα","","0.0671","0.0453","","","0.0965","0.1166","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212459","7.7489","0.0015","28.027","0.006","3.8702","0.0008","90","","90","","90","","840.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","(malonic acid).(isonicotinic acid hydrazide)2","(malonic acid).(isonicotinic acid hydrazide)2","","- C15 H18 N6 O6 -","- C15 H18 N6 O6 -","- C30 H36 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0388","0.0342","","","0.0841","0.0854","","","","","","1.052","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212460","6.9976","0.0004","19.5601","0.001","7.1495","0.0005","90","","114.892","0.008","90","","887.67","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(succinic acid).(isonicotinic acid hydrazide)2","(succinic acid).(isonicotinic acid hydrazide)2","","- C8 H10 N3 O3 -","- C8 H10 N3 O3 -","- C32 H40 N12 O12 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0419","0.0335","","","0.0854","0.0888","","","","","","1.03","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212461","5.0641","0.0005","8.1495","0.001","16.3114","0.0017","76.668","0.01","81.845","0.008","73.046","0.01","624.54","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(glutaric acid).(isonicotinic acid hydrazide)","(glutaric acid).(isonicotinic acid hydrazide)","","- C11 H15 N3 O5 -","- C11 H15 N3 O5 -","- C22 H30 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0579","0.0385","","","0.0778","0.0825","","","","","","0.962","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212462","6.3361","0.0004","3.8795","0.0002","39.723","0.002","90","","90.122","0.005","90","","976.42","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(adipic acid).(isonicotinic acid hydrazide)2","(adipic acid).(isonicotinic acid hydrazide)2","","- C18 H24 N6 O6 -","- C18 H24 N6 O6 -","- C36 H48 N12 O12 -","2","0.5","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","1.5418","CuKα","","0.0389","0.0358","","","0.1079","0.1105","","","","","","1.055","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212463","5.1055","0.0005","7.4175","0.0006","19.3653","0.0015","94.328","0.006","93.12","0.006","103.66","0.007","708.61","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(pimelic acid).(isonicotinic acid hydrazide)","(pimelic acid).(isonicotinic acid hydrazide)","","- C13 H19 N3 O5 -","- C13 H19 N3 O5 -","- C26 H38 N6 O10 -","2","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0489","0.0349","","","0.0848","0.0878","","","","","","1.055","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212464","12.9083","0.0005","4.9898","0.0001","20.3294","0.0009","90","","91.85","0.004","90","","1308.73","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-hydroxybenzoic acid).(isonicotinic acid hydrazide)","(4-hydroxybenzoic acid).(isonicotinic acid hydrazide)","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C52 H52 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0409","0.0317","","","0.0776","0.0802","","","","","","1.067","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212465","8.1931","0.0004","5.0698","0.0002","30.2815","0.0013","90","","94.923","0.004","90","","1253.17","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(2,4-dihydroxybenzoic acid).(isonicotinic acid hydrazide)","(2,4-dihydroxybenzoic acid).(isonicotinic acid hydrazide)","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C52 H52 N12 O20 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.047","0.0348","","","0.0828","0.0863","","","","","","1.051","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212466","19.8053","0.0008","8.4686","0.0004","10.0248","0.0004","90","","99.567","0.004","90","","1658.01","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-hydroxybenzoic acid).((Z)-N'-(butan-2- ylidene)isonicotinohydrazide)","(3-hydroxybenzoic acid).((Z)-N'-(butan-2-ylidene)isonicotinohydrazide)","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C68 H76 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","1.5418","CuKα","","0.0875","0.08","","","0.1874","0.1981","","","","","","0.882","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212467","8.652","0.0003","20.818","0.0008","8.785","0.0004","90","","101.679","0.004","90","","1549.57","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(3-hydroxybenzoic acid).(N'-(propan-2- ylidene)isonicotinohydrazide)","(3-hydroxybenzoic acid).(N'-(propan-2-ylidene)isonicotinohydrazide)","","- C16 H17 N3 O4 -","- C16 H17 N3 O4 -","- C64 H68 N12 O16 -","4","1","","Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker","One-pot covalent and supramolecular synthesis of pharmaceutical co-crystals using the API isoniazid: a potential supramolecular reagent","CrystEngComm","2010","12","10","2856","","10.1039/c000473a","","","0.71073","MoKα","","0.0632","0.0406","","","0.0819","0.0867","","","","","","0.95","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212468","8.6159","0.0013","13.762","0.002","9.6961","0.0014","90","","111.258","0.002","90","","1071.5","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","zinc sulfate","","","- C4 H12 N2 O8 S2 Zn -","- C4 H12 N2 O8 S2 Zn -","- C16 H48 N8 O32 S8 Zn4 -","4","2","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0925","0.0543","","","0.0864","0.1005","","","","","","1.01","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212469","9.9945","0.0003","9.9945","0.0003","9.9945","0.0003","90","","90","","90","","998.35","0.05","293","2","293","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","zinc sulfate","","","- H8 N2 O12 S3 Zn2 -","- H8 N2 O12 S3 Zn2 -","- H32 N8 O48 S12 Zn8 -","4","0.333333","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0197","0.0182","","","0.0445","0.0448","","","","","","1.188","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212470","6.8592","0.0009","8.975","0.0011","13.721","0.0017","90","","90","","90","","844.68","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","zinc sulfate","","","- H8 N2 O8 S2 Zn -","- H8 N2 O8 S2 Zn -","- H32 N8 O32 S8 Zn4 -","4","1","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0363","0.029","","","0.056","0.0593","","","","","","0.994","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212471","14.7508","0.0008","17.847","0.001","22.1096","0.0009","100.112","0.005","102.224","0.004","97.19","0.005","5519.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C162 H241 Gd N2 O83 P4 S8 -","- C162 H139 Gd N2 O83 P4 S8 -","- C162 H139 Gd N2 O83 P4 S8 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","0.71073","MoKα","","0.2676","0.1569","","","0.3047","0.356","","","","","","1.003","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212472","12.7621","0.0004","15.4557","0.0005","19.2632","0.0006","106.004","0.003","93.474","0.003","112.632","0.003","3311.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H152 Gd2 N4 O59 P2 S8 -","- C112 H152 Gd2 N4 O59 P2 S8 -","- C112 H152 Gd2 N4 O59 P2 S8 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","0.71073","MoKα","","0.0723","0.0501","","","0.1436","0.1571","","","","","","1.001","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212473","14.7749","0.0002","17.8871","0.0004","21.7909","0.0005","100.797","0.002","100.493","0.002","97.627","0.002","5478.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C164 H231 Gd N2 O76 P4 S8 -","- C164 H143 Gd N2 O76 P4 S8 -","- C164 H143 Gd N2 O76 P4 S8 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","1.54178","CuKα","","0.1487","0.1142","","","0.2475","0.2646","","","","","","1.009","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212474","12.8192","0.0001","18.6718","0.0003","28.87","0.0004","100.278","0.001","99.635","0.001","98.348","0.001","6593.41","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C114.5 H145 Gd2 N2 O55 P2 S8 -","- C114.5 H145 Gd2 N2 O55 P2 S8 -","- C229 H290 Gd4 N4 O110 P4 S16 -","2","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Lanthanoid assisted self-assembly of imidazolium cations in organic bi-layers","CrystEngComm","2010","12","6","1869","","10.1039/c000487c","","","0.71073","MoKα","","0.1138","0.0869","","","0.2271","0.2419","","","","","","1.005","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212475","10.2745","0.0007","10.1246","0.0007","14.8789","0.001","90","","98.865","0.002","90","","1529.29","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Theoph methyl gal cocrystal","","","- C15 H16 N4 O7 -","- C15 H16 N4 O7 -","- C60 H64 N16 O28 -","4","1","","Chattoraj, Sayantan; Shi, Limin; Sun, Changquan Calvin","Understanding the relationship between crystal structure, plasticity and compaction behaviour of theophylline, methyl gallate, and their 1 : 1 co-crystal","CrystEngComm","2010","12","8","2466","","10.1039/c000614a","","","0.71073","MoKα","","0.0954","0.0604","","","0.1579","0.1855","","","","","","1","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212476","7.6798","0.0012","9.9854","0.0015","10.5949","0.0016","90","","96.005","0.002","90","","808","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","methylgallate","","","- C8 H8 O5 -","- C8 H8 O5 -","- C32 H32 O20 -","4","1","","Chattoraj, Sayantan; Shi, Limin; Sun, Changquan Calvin","Understanding the relationship between crystal structure, plasticity and compaction behaviour of theophylline, methyl gallate, and their 1 : 1 co-crystal","CrystEngComm","2010","12","8","2466","","10.1039/c000614a","","","0.71073","MoKα","","0.0621","0.0469","","","0.1255","0.138","","","","","","1.085","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212477","14.7198","0.0016","7.7386","0.0017","23.1799","0.0009","90","","106.385","0.003","90","","2533.2","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ADACID","","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0802","0.0614","","","0.154","0.1668","","","","","","1.067","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212478","8.924","0.005","10.297","0.005","15.62","0.008","71.631","0.008","89.933","0.008","75.659","0.008","1315.1","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Cd-ADA-1","","","- C27 H33 Cd N3 O5 -","- C27 H33 Cd N3 O5 -","- C54 H66 Cd2 N6 O10 -","2","1","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0716","0.0607","","","0.1505","0.1618","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212479","8.8816","0.0016","10.2469","0.0018","15.551","0.003","71.53","0.003","89.774","0.003","74.903","0.003","1291.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 Mn N3 O5 -","- C27 H33 Mn N3 O5 -","- C54 H66 Mn2 N6 O10 -","2","1","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0932","0.0552","","","0.1111","0.134","","","","","","0.948","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212480","23.495","0.002","11.6667","0.001","13.2885","0.0012","90","","94.286","0.002","90","","3632.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Mn-ADA-2","","","- C38 H50 Mn N2 O10 -","- C38 H50 Mn N2 O10 -","- C152 H200 Mn4 N8 O40 -","4","0.5","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0786","0.0526","","","0.1032","0.1139","","","","","","0.945","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212481","22.587","0.004","14.078","0.003","11.24","0.002","90","","113.424","0.007","90","","3279.5","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 N O4 Zn -","- C19 H22 N O4 Zn -","- C152 H176 N8 O32 Zn8 -","8","1","","Pachfule, Pradip; Panda, Tamas; Dey, Chandan; Banerjee, Rahul","Structural diversity in a series of metal‒organic frameworks (MOFs) composed of divalent transition metals, 4,4′-bipyridine and a flexible carboxylic acid","CrystEngComm","2010","12","8","2381","","10.1039/c000723d","","","0.71073","MoKα","","0.0374","0.0334","","","0.0915","0.0934","","","","","","1.061","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212482","7.7056","0.0015","11.588","0.002","17.604","0.004","90","","102.37","0.03","90","","1535.4","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O4 Zn -","- C15 H17 N O4 Zn -","- C60 H68 N4 O16 Zn4 -","4","2","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.1068","0.076","","","0.1744","0.1943","","","","","","1.027","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212483","21.073","0.004","21.073","0.004","6.9309","0.0014","90","","90","","90","","3077.8","1","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C30 H42 Cu N2 O10 -","- C30 H42 Cu N2 O10 -","- C120 H168 Cu4 N8 O40 -","4","0.5","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.035","0.0333","","","0.0714","0.0722","","","","","","1.06","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212484","9.0548","0.0018","9.1122","0.0018","11.912","0.002","107.17","0.03","104.62","0.03","93.42","0.03","899","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N6 O8 Zn3 -","- C32 H34 N6 O8 Zn3 -","- C32 H34 N6 O8 Zn3 -","1","0.5","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.1131","0.0731","","","0.1797","0.207","","","","","","1.048","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212485","9.0109","0.0018","9.0814","0.0018","11.788","0.002","106.73","0.03","103.76","0.03","95.01","0.03","884.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Co3 N6 O8 -","- C32 H34 Co3 N6 O8 -","- C32 H34 Co3 N6 O8 -","1","0.5","","Luo, Feng; Ning, Yang; Luo, Ming-biao; Huang, Guo-lin","Chiral or achiral camphorate-based complexes controlled by the conformational rigidity of N-donor co-ligands","CrystEngComm","2010","12","10","2769","","10.1039/c000734j","","","0.71073","MoKα","","0.115","0.07","","","0.1756","0.1978","","","","","","1.094","","","","has coordinates,has disorder","180455","2020-10-21","18:00:00",""
"7212486","6.9446","0.0019","7.0471","0.0019","30.246","0.008","90","","90","","90","","1480.2","0.7","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","ammonium benzoate","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0518","0.0404","","","0.1291","0.1485","","","","","","1.089","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212487","14.529","0.012","5.882","0.005","17.727","0.015","90","","101.346","0.012","90","","1485","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","propylammonium diphenylacetate","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0634","0.0426","","","0.0939","0.1057","","","","","","1.037","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212488","16.064","0.003","6.4139","0.0013","17.668","0.004","90","","91.84","0.03","90","","1819.4","0.6","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","cyclohexylammonium acetate","","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C64 H136 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0372","0.0345","","","0.0928","0.0956","","","","","","1.074","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212489","6.4832","0.0007","21.423","0.002","45.021","0.005","90","","90","","90","","6252.9","1.1","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclohexylammonium benzoate","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C260 H380 N20 O40 -","20","5","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.04","0.0373","","","0.1307","0.139","","","","","","0.848","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212490","6.5265","0.0004","18.416","0.0011","14.9966","0.0009","90","","93.518","0.001","90","","1799.08","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","anilinium benoate benzoic acid","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0659","0.0491","","","0.2081","0.3052","","","","","","0.715","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212491","8.5689","0.0015","11.0491","0.0019","17.529","0.003","90","","90","","90","","1659.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","benzylammonium formate","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C64 H88 N8 O16 -","8","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0318","0.0294","","","0.0807","0.083","","","","","","1.04","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212492","12.7338","0.0008","7.9987","0.0005","17.5766","0.0011","90","","93.073","0.001","90","","1787.67","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","benzylammonium acetate","","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C72 H104 N8 O16 -","8","2","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0462","0.0363","","","0.0966","0.1025","","","","","","1.075","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212493","12.0457","0.0003","5.8896","0.0001","15.869","0.0004","90","","102.077","0.001","90","","1100.9","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzylammonium proprionate hydrate","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0409","0.0381","","","0.1039","0.1072","","","","","","1.028","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212494","28.1285","0.0003","10.8367","0.0001","9.7154","0.0001","90","","97.1","0.001","90","","2938.74","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenylethylammonium diphenylacetate diphenylacetic acid","","","- C36 H35 N O4 -","- C36 H35 N O4 -","- C144 H140 N4 O16 -","4","1","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.0527","0.0375","","","0.0889","0.0982","","","","","","1.029","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212495","14.427","0.0017","14.427","0.0017","10.0102","0.0015","90","","90","","120","","1804.4","0.4","293","","293","","","","","","","","","4","P 61","P 61","169","L-alanyl-L-valine","L-alanyl-L-valine","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","","Moggach, Stephen A.; Görbitz, Carl Henrik; Warren, John E.","The effect of pressure on the porous peptide l-alanyl-l-valine","CrystEngComm","2010","12","8","2322","","10.1039/c000942c","","","0.71073","MoKα","","0.1111","0.0648","","0.2188","0.1665","0.2188","","","","","","0.9999","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7212496","13.9836","0.0019","13.9836","0.0019","9.9229","0.0015","90","","90","","120","","1680.4","0.4","293","","293","","","","","","","","","4","P 61","P 61","169","L-alanyl-L-valine","L-alanyl-L-valine","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C48 H96 N12 O18 -","6","1","","Moggach, Stephen A.; Görbitz, Carl Henrik; Warren, John E.","The effect of pressure on the porous peptide l-alanyl-l-valine","CrystEngComm","2010","12","8","2322","","10.1039/c000942c","","","0.4872","synchrotron","","0.1276","0.0615","","0.1712","0.1376","0.1712","","","","","","1.0131","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212497","11.767","0.001","8.302","0.001","12.991","0.001","90","","111.53","0.01","90","","1180.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Pyr-TTF","","","- C11 H7 N S4 -","- C11 H7 N S4 -","- C44 H28 N4 S16 -","4","1","","Riobé, François; Avarvari, Narcis; Grosshans, Philippe; Sidorenkova, Helena; Berclaz, Théo; Geoffroy, Michel","Bis(tetrathiafulvalenes) with aromatic bridges: electron delocalization in the oxidized species through EPR and theoretical studies.","Physical chemistry chemical physics : PCCP","2010","12","33","9650","9660","10.1039/c001014f","","","0.71073","MoKα","","0.0842","0.0458","","","0.0778","0.0894","","","","","","1.08","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212498","9.49","0.009","16.85","0.02","31.68","0.03","95.77","0.05","98.07","0.05","99.45","0.05","4908","9","150","","150","","","","","","","","Trichoderma Viride","4","P 1","P 1","1","","","","- C158 H275 N41 O45.5 -","- C158 H275 N41 O45.5 -","- C158 H275 N41 O45.5 -","1","1","","Dittrich, Birger; Bond, Charles S.; Kalinowski, Roman; Spackman, M. A.; Jayatilaka, Dylan","Revised electrostatics from invariom refinement of the 18-residue peptaibol antibiotic trichotoxin A50E","CrystEngComm","2010","12","8","2419","","10.1039/c001072c","","","0.6883","","","0.0711","0.046","","","","0.0539","","","","","","3.3171","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212499","16.561","0.003","12.656","0.003","17.176","0.003","90","","113.54","0.03","90","","3300.4","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H42 Co N4 O2 -","- C38 H43 Co N4 O2 -","- C152 H172 Co4 N16 O8 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.1186","0.0676","","","0.1525","0.1825","","","","","","0.959","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212500","15.312","0.007","12.191","0.005","18.927","0.008","90","","96.983","0.007","90","","3507","3","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H43 Mn N4 O4 -","- C39 H42 Mn N4 O4 -","- C156 H168 Mn4 N16 O16 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.1303","0.0867","","","0.1964","0.2325","","","","","","0.986","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212501","11.564","0.002","18.821","0.004","17.117","0.003","90","","100.68","0.03","90","","3660.9","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C76 H88 N8 Ni2 O6 -","- C76 H84 N8 Ni2 O6 -","- C152 H168 N16 Ni4 O12 -","2","1","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.0915","0.0553","","","0.1249","0.1414","","","","","","1.021","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212502","9.7901","0.0011","10.4305","0.0012","32.683","0.004","90","","97.74","0.001","90","","3307","0.7","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H42 N4 O2 Zn -","- C38 H42 N4 O2 Zn -","- C152 H168 N16 O8 Zn4 -","4","2","","Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong","Homochiral helical coordination polymers of metallosalen complexes with tunable pitches","CrystEngComm","2010","12","8","2424","","10.1039/c001121e","","","0.71073","MoKα","","0.0733","0.0433","","","0.0847","0.0964","","","","","","0.959","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212503","15.3128","0.0006","16.0078","0.0009","16.1656","0.0008","113.203","0.005","100.27","0.004","95.062","0.004","3528.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","bis(mu-dithioisopentanoato)digold(I)","bis(mu-dithioisopentanoato)digold(I)","","- C10 H18 Au2 S4 -","- C10 H18 Au2 S4 -","- C90 H162 Au18 S36 -","9","4.5","","Gallego, M. Luz; Guijarro, Alejandro; Castillo, Oscar; Parella, Teodor; Mas-Balleste, Ruben; Zamora, Felix","Nuclearity control in gold dithiocarboxylato compounds","CrystEngComm","2010","12","8","2332","","10.1039/c001150a","","","0.71069","MoKα","","0.0832","0.0454","","","0.1011","0.1069","","","","","","1.036","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212504","9.2796","0.0005","15.4914","0.0009","18.8044","0.0011","85.919","0.005","81.923","0.004","87.427","0.004","2667.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","catena-((mu-dithioisopentanoato)gold(I)) bis(mu-dithioisopentanoato)digold(I)","catena-((mu-dithioisopentanoato)gold(I)) bis(mu-dithioisopentanoato)digold(I)","","- C35 H63 Au7 S14 -","- C35 H63 Au7 S14 -","- C70 H126 Au14 S28 -","2","1","","Gallego, M. Luz; Guijarro, Alejandro; Castillo, Oscar; Parella, Teodor; Mas-Balleste, Ruben; Zamora, Felix","Nuclearity control in gold dithiocarboxylato compounds","CrystEngComm","2010","12","8","2332","","10.1039/c001150a","","","0.71069","MoKα","","0.0802","0.0385","","","0.0686","0.0727","","","","","","0.806","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212505","3.8432","0.0008","10.964","0.002","9.778","0.002","90","","91.13","0.03","90","","411.93","0.14","295","2","295","2","","","270000","","","","","3","P 1 21/n 1","-P 2yn","14","pyridazine","pyridazine","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.0779","0.0587","","","0.1579","0.1686","","","","","","1.119","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212506","3.7189","0.0007","10.748","0.002","9.6823","0.0019","90","","91.5","0.03","90","","386.88","0.13","295","2","295","2","","","610000","","","","","3","P 1 21/n 1","-P 2yn","14","pyridazine","pyridazine","","- C4 H4 N2 -","- C4 H4 N2 -","- C16 H16 N8 -","4","1","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.0851","0.0726","","","0.2146","0.233","","","","","","1.17","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212507","17.267","0.004","8.764","0.0018","11.006","0.002","90","","90","","90","","1665.5","0.6","295","2","295","2","","","1230000","","","","","3","P n a 21","P 2c -2n","33","pyridine","pyridine","","- C5 H5 N -","- C5 H5 N -","- C80 H80 N16 -","16","4","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.1611","0.0997","","","0.196","0.2302","","","","","","1.145","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212508","6.771","0.0014","5.591","0.0011","18.1","0.004","90","","90.4","0.03","90","","685.2","0.2","295","2","295","2","","","1800000","","","","","4","P 1 c 1","P -2yc","7","pyridine:methanol 3:1 cocrystal","pyridine:methanol 3:1 cocrystal","","- C16 H19 N3 O -","- C16 H19 N3 O -","- C32 H38 N6 O2 -","2","1","","Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej","Density, freezing and molecular aggregation in pyridazine, pyridine and benzene","CrystEngComm","2010","12","9","2561","","10.1039/c001153c","","","0.71073","MoKα","","0.3587","0.3001","","","0.285","0.307","","","","","","2.301","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212509","20.424","0.004","11.568","0.002","21.291","0.004","90","","112.26","0.03","90","","4655.4","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H73 Mo18 N9 O88 P2 -","- C18 H30 Mo18 N9 O88 P2 -","- C36 H60 Mo36 N18 O176 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0597","0.051","","","0.1424","0.1514","","","","","","0.962","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212510","20.443","0.004","11.573","0.002","21.276","0.004","90","","112.15","0.03","90","","4662.1","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H73 Mo18 N9 O88 P2 -","- C18 H30 Mo18 N9 O88 P2 -","- C36 H60 Mo36 N18 O176 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0387","0.0354","","","0.0948","0.0982","","","","","","1.045","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212511","15.314","0.003","15.585","0.003","16.984","0.003","90","","104.48","0.03","90","","3924.8","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H65 Mo18 N6 O86.5 P2 -","- C12 H20 Mo18 N6 O86.5 P2 -","- C24 H40 Mo36 N12 O173 P4 -","2","1","","Liu, Ding; Tan, Hua-Qiao; Chen, Wei-Lin; Li, Yang-Guang; Wang, En-Bo","Resolution of chiral polyoxoanion [P2Mo18O62]6− with histidine","CrystEngComm","2010","12","7","2044","","10.1039/c001160f","","","0.71073","MoKα","","0.0677","0.0651","","","0.1681","0.1695","","","","","","1.125","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212512","33.99","0.02","7.985","0.004","23.009","0.014","90","","123.764","0.006","90","","5192","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 N5 O8 Zn -","- C27 H15 N5 O8 Zn -","- C216 H120 N40 O64 Zn8 -","8","1","","Sun, Jian-Ke; Yao, Qing-Xia; Ju, Zhan-Feng; Zhang, Jie","2D self-catenated coordination polymer constructed by triple- and double-helical chains","CrystEngComm","2010","12","6","1709","","10.1039/c001249c","","","0.71073","MoKα","","0.0583","0.0533","","","0.1515","0.1568","","","","","","1.036","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212513","5.6163","0.0005","8.7795","0.0008","27.999","0.002","90","","90","","90","","1380.6","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.71073","MoKα","","0.0892","0.0533","","0.1286","0.1085","0.1286","","","","","","0.969","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7212514","5.3892","0.0003","8.4564","0.0004","27.564","0.004","90","","90","","90","","1256.2","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0983","0.0435","","0.1102","0.0695","0.1102","","","","","","0.9901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212515","5.3033","0.0003","8.2132","0.0005","26.874","0.004","90","","90","","90","","1170.6","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0596","0.0372","","0.1245","0.0804","0.1245","","","","","","1.0006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212516","5.2748","0.0002","8.3459","0.0003","25.496","0.003","90","","90","","90","","1122.41","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0483","0.0212","","0.0449","0.034","0.0449","","","","","","1.1146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212517","16.546","0.007","4.49","0.001","14.124","0.007","90","","125.5","0.13","90","","854.2","1.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H24 O8 -","- C16 H24 O8 -","- C32 H48 O16 -","2","0.5","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0687","0.064","","","0.1629","0.1672","","","","","","1.261","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212518","9.052","0.002","27.546","0.006","9.808","0.003","90","","115.28","0.02","90","","2211.4","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","1","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.1177","0.0868","","","0.236","0.256","","","","","","0.987","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212519","18.443","0.017","7.313","0.005","15.038","0.016","90","","122.19","0.05","90","","1716","3","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","0.5","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0441","0.0389","","","0.0911","0.094","","","","","","1.1","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212521","9.052","0.002","27.546","0.006","9.808","0.003","90","","115.28","0.02","90","","2211.4","1","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H48 O16 -","- C32 H48 O16 -","- C64 H96 O32 -","2","1","","Carrillo, Romen; López-Rodríguez, Matías; Martín, Víctor S.; Martín, Tomás","Crystal structures of self-assembled nanotubes from flexible macrocycles by weak interactions","CrystEngComm","2010","12","11","3676","","10.1039/c001261k","","","0.71073","MoKα","","0.0999","0.0722","","","0.2056","0.2218","","","","","","0.908","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212523","15.8818","0.0005","15.8818","0.0005","9.9176","0.0007","90","","90","","120","","2166.39","0.18","296","2","296","2","","","","","","","","5","P -6","P -6","174","","","","- C20 H20 In N O8 -","- C16.6667 H8 In N0.67 O8 -","- C50 H24 In3 N2.01 O24 -","3","0.5","","Bu, Fei; Xiao, Shou-Jun","A 4-connected anionic metal‒organic nanotube constructed from indium isophthalate","CrystEngComm","2010","12","11","3385","","10.1039/c001284j","","","0.71073","MoKα","","0.0579","0.0547","","","0.1512","0.1544","","","","","","1.116","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212524","6.0186","0.0006","12.3298","0.0011","5.7828","0.0004","90","","90","","90","","429.13","0.06","298","","298","","","0.016","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.146","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212525","5.9004","0.001","12.298","0.002","5.7626","0.0008","90","","90","","90","","418.15","0.11","298","","298","","0.4","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.06","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212526","5.8204","0.0009","12.2496","0.0018","5.7419","0.0008","90","","90","","90","","409.38","0.1","298","","298","","0.77","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.104","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212527","5.783","0.0005","12.2194","0.0009","5.7287","0.0004","90","","90","","90","","404.82","0.05","298","","298","","1.025","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.183","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212528","5.7345","0.0004","12.1746","0.0007","5.7095","0.0003","90","","90","","90","","398.61","0.04","298","","298","","1.38","0.012","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.251","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212529","5.6369","0.0004","12.0464","0.0007","5.6628","0.0003","90","","90","","90","","384.53","0.04","298","","298","","2.302","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.324","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212530","5.5556","0.0003","11.911","0.0007","5.6233","0.0003","90","","90","","90","","372.11","0.04","298","","298","","3.206","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.251","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212531","5.485","0.0005","11.7729","0.001","5.5875","0.0005","90","","90","","90","","360.81","0.06","298","","298","","4.31","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.104","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212532","5.4221","0.0003","11.6457","0.0006","5.5564","0.0003","90","","90","","90","","350.85","0.03","298","","298","","5.426","0.019","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.259","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212533","5.3626","0.0004","11.5291","0.0009","5.5263","0.0004","90","","90","","90","","341.67","0.04","298","","298","","6.65","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.1","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212534","5.3105","0.0003","11.4299","0.0006","5.5015","0.0003","90","","90","","90","","333.93","0.03","298","","298","","8.03","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.232","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212535","5.2815","0.0005","11.3765","0.001","5.4879","0.0005","90","","90","","90","","329.74","0.05","298","","298","","8.82","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.085","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212536","5.2626","0.0003","11.3404","0.0006","5.4786","0.0003","90","","90","","90","","326.96","0.03","298","","298","","9.39","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.277","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212537","5.2459","0.0004","11.3088","0.0008","5.4696","0.0004","90","","90","","90","","324.48","0.04","298","","298","","9.87","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.139","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212538","4.8746","0.0014","6.4011","0.001","8.98","0.003","74.05","0.02","83.54","0.02","80.468","0.018","265.03","0.13","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0751","0.0657","","0.1656","0.158","0.1656","","","","","","1.0479","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212539","4.835","0.003","6.31","0.002","8.895","0.007","74.62","0.04","84.12","0.05","80.67","0.04","257.7","0.3","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0789","0.0701","","0.1678","0.1592","0.1678","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212540","4.76","0.002","6.1455","0.0012","8.737","0.004","76.06","0.03","84.56","0.03","81.25","0.02","244.71","0.16","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0631","0.0539","","0.135","0.1278","0.135","","","","","","1.0489","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212541","4.728","0.002","6.0501","0.0014","8.684","0.005","76.54","0.03","84.73","0.04","81.67","0.03","238.6","0.18","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.062","0.0564","","0.1735","0.1696","0.1735","","","","","","1.2154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212542","4.693","0.002","5.9013","0.0014","8.599","0.005","77.48","0.03","84.97","0.04","82.35","0.03","229.99","0.18","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0703","0.0627","","0.158","0.1512","0.158","","","","","","1.1572","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212543","4.676","0.003","5.8115","0.0017","8.543","0.006","77.95","0.04","85.11","0.05","82.77","0.04","224.8","0.2","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0679","0.0625","","0.1678","0.1635","0.1678","","","","","","1.1345","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212544","4.51","0.0005","5.9287","0.0006","8.503","0.003","76.528","0.016","85.624","0.017","83.203","0.008","219.27","0.09","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0305","0.0288","","0.0693","0.0675","0.0693","","","","","","1.223","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212545","4.4832","0.0004","5.8932","0.0004","8.465","0.002","76.234","0.013","85.836","0.013","83.284","0.006","215.5","0.06","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0267","0.0256","","0.0583","0.0578","0.0583","","","","","","1.2151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212546","4.4609","0.0004","5.8592","0.0005","8.427","0.002","75.991","0.015","86.055","0.014","83.349","0.006","212.08","0.06","293","","293","","","","","","","","","6","P 1","P 1","1","","","","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","- C7 H6 Cl N3 O4 S2 -","1","1","","Oswald, Iain D. H.; Lennie, Alistair R.; Pulham, Colin R.; Shankland, Kenneth","High-pressure structural studies of the pharmaceutical, chlorothiazide","CrystEngComm","2010","12","9","2533","","10.1039/c001355b","","","0.71073","MoKα","","0.0255","0.024","","0.0584","0.0579","0.0584","","","","","","1.1898","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212547","11.52","0.0004","14.4315","0.0007","18.012","0.003","90","","90","","90","","2994.5","0.5","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0576","0.0389","","0.1091","0.0944","0.1091","","","","","","0.9194","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212548","11.2728","0.0008","13.8681","0.0011","18.219","0.004","90","","90","","90","","2848.2","0.7","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0496","0.032","","0.0887","0.0777","0.0887","","","","","","0.8574","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212549","11.1332","0.0005","13.4098","0.0007","18.367","0.002","90","","90","","90","","2742.1","0.4","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.4754","synchrotron","","0.0557","0.033","","0.0921","0.0772","0.0921","","","","","","0.9629","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212550","11.716","0.007","14.713","0.009","17.934","0.011","90","","90","","90","","3091","3","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H36 Cu2 N12 O16 -","- C16 H36 Cu2 N12 O16 -","- C64 H144 Cu8 N48 O64 -","4","0.5","","Galloway, Kyle W.; Moggach, Stephen A.; Parois, Pascal; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Peacock, Robert D.; Valiente, Rafael; González, Jesús; Rodríguez, Fernando; Parsons, Simon; Murrie, Mark","Pressure-induced switching in a copper(ii) citrate dimer","CrystEngComm","2010","12","9","2516","","10.1039/c001376e","","","0.71073","MoKα","","0.0525","0.0332","","0.072","0.0632","0.072","","","","","","1.0554","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212551","7.385","0.003","7.782","0.005","12.82","0.08","90","","95.02","0.12","90","","734","5","296","2","296","2","1800000","","","","","","","5","P 1 21/m 1","-P 2yb","11","1,4-diazabicyclo(2.2.2)octane dihydroiodide trimethanol cocrystal","1,4-diazabicyclo[2.2.2]octane dihydroiodide trimethanol cocrystal","","- C9 H26 I2 N2 O3 -","- C9 H26 I2 N2 O3 -","- C18 H52 I4 N4 O6 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure induced transformations of 1,4-diazabicyclo[2.2.2]octane (dabco) hydroiodide: diprotonation of dabco, its N-methylation and co-crystallization with methanol","CrystEngComm","2010","12","9","2528","","10.1039/c001379j","","","0.71073","MoKα","","0.1172","0.0617","","","0.1424","0.1682","","","","","","1.386","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212552","8.88","0.02","6.5844","0.0004","10.335","0.01","90","","108.69","0.19","90","","572.4","1.5","296","2","296","2","2400000","","","","","","","5","P 1 21/m 1","-P 2yb","11","N-methyl-1,4-diazabicyclo(2.2.2)octanium iodide dimethanol cocrystal","N-methyl-1,4-diazabicyclo[2.2.2]octanium iodide dimethanol cocrystal","","- C9 H23 I N2 O2 -","- C9 H23 I N2 O2 -","- C18 H46 I2 N4 O4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure induced transformations of 1,4-diazabicyclo[2.2.2]octane (dabco) hydroiodide: diprotonation of dabco, its N-methylation and co-crystallization with methanol","CrystEngComm","2010","12","9","2528","","10.1039/c001379j","","","0.71073","MoKα","","0.0413","0.0396","","","0.0841","0.0903","","","","","","1.086","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212553","10.4595","0.0009","14.392","0.0013","14.7634","0.0013","69.608","0.001","82.476","0.001","88.043","0.001","2065","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H74 Cd3 N4 O16 -","- C73.994 H74 Cd3 N4 O16 -","- C73.994 H74 Cd3 N4 O16 -","1","0.5","","Mu, Bin; Huang, Yougui; Walton, Krista S.","A metal‒organic framework with coordinatively unsaturated metal centers and microporous structure","CrystEngComm","2010","12","8","2347","","10.1039/c001485k","","","0.71073","MoKα","","0.0698","0.0562","","","0.1389","0.1471","","","","","","1.04","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212554","10.9528","0.0002","13.6506","0.0002","26.0918","0.0004","90","","90","","90","","3901.04","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46.5 N4 O23.25 Zn2 -","- C32 H29 N4 O23.201 Zn2 -","- C128 H116 N16 O92.804 Zn8 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0532","0.0435","","","0.1228","0.1304","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212555","6.953","0.002","12.209","0.004","13.829","0.004","111.295","0.006","97.98","0.005","102.352","0.006","1037.8","0.5","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H50 Cu2 N4 O25 -","- C32 H26 Cu2 N4 O24.925 -","- C32 H26 Cu2 N4 O24.925 -","1","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","0.71073","MoKα","","0.054","0.0509","","","0.1296","0.1319","","","","","","1.056","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212556","8.066","0.0002","25.1855","0.0006","9.8493","0.0003","90","","110.551","0.003","90","","1873.51","0.09","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 N2 O10 Zn -","- C18 H15 N2 O10 Zn -","- C72 H60 N8 O40 Zn4 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0458","0.0428","","","0.124","0.1346","","","","","","1.113","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212557","8.0918","0.0001","25.5718","0.0003","9.9599","0.0001","90","","111.096","0.002","90","","1922.8","0.05","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20.5 Mn N2 O10.25 -","- C18 H13.5 Mn N2 O10.25 -","- C72 H54 Mn4 N8 O41 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0831","0.0761","","","0.2025","0.2098","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212558","8.0565","0.0004","25.1374","0.0008","9.8567","0.0004","90","","110.482","0.005","90","","1869.98","0.15","130","2","130","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H20 Co N2 O10 -","- C18 H14 Co N2 O10 -","- C72 H56 Co4 N8 O40 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0741","0.0556","","","0.1395","0.1497","","","","","","0.999","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212559","7.927","0.0019","25.929","0.005","10.234","0.002","90","","112.785","0.001","90","","1939.3","0.7","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Cd0.5 N O5 -","- C9 H7 Cd0.5 N O5 -","- C72 H56 Cd4 N8 O40 -","8","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.1281","0.1158","","","0.2911","0.3022","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212560","9.7117","0.0003","10.2821","0.0002","10.9564","0.0004","90","","113.107","0.004","90","","1006.3","0.06","130","2","130","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H22 Cu N2 O11 -","- C18 H14 Cu N2 O11 -","- C36 H28 Cu2 N4 O22 -","2","0.5","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0559","0.0469","","","0.134","0.1376","","","","","","1.216","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212561","4.5588","0.0002","11.9018","0.0005","15.8005","0.0006","85.912","0.004","84.811","0.003","83.249","0.003","846.27","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 La N3 O12 -","- C12 H14 La N3 O12 -","- C24 H28 La2 N6 O24 -","2","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0278","0.022","","","0.0495","0.0505","","","","","","0.984","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212562","8.5017","0.0003","9.4822","0.0003","10.8767","0.0005","106.74","0.004","101.306","0.004","92.424","0.003","818.8","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 N3 O11 Pr -","- C12 H14 N3 O11 Pr -","- C24 H28 N6 O22 Pr2 -","2","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0226","0.0194","","","0.0479","0.0485","","","","","","1.053","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212563","7.8028","0.0001","19.2619","0.0003","12.67","0.0002","90","","98.975","0.001","90","","1880.95","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 N3 O14 Sm -","- C12 H14 N3 O14 Sm -","- C48 H56 N12 O56 Sm4 -","4","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0323","0.0232","","","0.0623","0.0836","","","","","","1.221","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212564","7.8133","0.0003","10.7254","0.0004","11.9085","0.0004","64.815","0.004","70.883","0.003","72.769","0.003","838.79","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Ho N3 O12 -","- C12 H14 Ho N3 O12 -","- C24 H28 Ho2 N6 O24 -","2","1","","Zhuang, Gui-Lin; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of lanthanide contraction on crystal structures of lanthanide coordination polymers with 2,5-piperazinedione-1,4-diacetic acid","CrystEngComm","2010","12","10","2691","","10.1039/c001537g","","","0.71073","MoKα","","0.0158","0.0147","","","0.0367","0.0369","","","","","","1.078","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212565","6.105","0.003","3.9567","0.0015","13.714","0.007","90","","99.163","0.007","90","","327","0.3","270","2","270","2","","","","","","","","4","P 1 c 1","P -2yc","7","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0405","0.0341","","","0.0837","0.0863","","","","","","1.062","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212566","6.038","0.002","3.878","0.0012","13.594","0.005","90","","98.474","0.006","90","","314.83","0.18","120","2","120","2","","","","","","","","4","P 1 c 1","P -2yc","7","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0357","0.0355","","","0.0935","0.0938","","","","","","1.105","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212567","4.1069","0.0003","5.9634","0.0007","13.395","0.003","90","","93.949","0.012","90","","327.28","0.09","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-bromo-2,4,6-trifluorobenzene","1-bromo-2,4,6-trifluorobenzene","","- C6 H2 Br F3 -","- C6 H2 Br F3 -","- C12 H4 Br2 F6 -","2","1","","Probert, Michael R.; Chung, Yiu H. P.; Howard, Judith A. K.","Two solid state phases of 1-bromo-2,4,6-trifluorobenzene, crystallised under non-ambient conditions","CrystEngComm","2010","12","9","2584","","10.1039/c001539n","","","0.71073","MoKα","","0.0523","0.0429","","","0.106","0.1123","","","","","","1.217","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212568","9.724","0.0004","14.315","0.0006","18.145","0.0008","68.882","0.007","89.791","0.001","71.188","0.001","2212.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 Mo16 N18 Ni O56 -","- C54 H62 Mo16 N18 Ni O56 -","- C54 H62 Mo16 N18 Ni O56 -","1","0.5","","Zang, Hong-Ying; Tan, Ke; Guan, Wei; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Inorganic‒organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate","CrystEngComm","2010","12","11","3684","","10.1039/c001593h","","","0.71069","MoKα","","0.0504","0.0358","","","0.0758","0.0836","","","","","","1.008","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212569","10.467","0.006","13.725","0.008","15.932","0.001","85.217","0.001","76.214","0.001","72.187","0.001","2116.2","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 Co2 Mo16 N12 O66 -","- C36 H36 Co2 Mo16 N12 O66 -","- C36 H36 Co2 Mo16 N12 O66 -","1","0.5","","Zang, Hong-Ying; Tan, Ke; Guan, Wei; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Inorganic‒organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate","CrystEngComm","2010","12","11","3684","","10.1039/c001593h","","","0.71069","MoKα","","0.0495","0.039","","","0.1006","0.1087","","","","","","1.037","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212570","10.0611","0.0013","12.0763","0.0016","15.1854","0.002","85.0225","0.0018","87.26","0.0017","67.4954","0.0015","1697.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cu6 Mo14 N16 O45 -","- C32 H32 Cu6 Mo14 N16 O45 -","- C32 H32 Cu6 Mo14 N16 O45 -","1","0.5","","Zang, Hong-Ying; Tan, Ke; Guan, Wei; Li, Shun-Li; Yang, Guang-Sheng; Shao, Kui-Zhan; Yan, Li-Kai; Su, Zhong-Min","Inorganic‒organic hybrid compounds based on the co-existence of different isomers or forms of polymolybdate","CrystEngComm","2010","12","11","3684","","10.1039/c001593h","","","0.71069","MoKα","","0.0713","0.059","","","0.1639","0.1777","","","","","","0.946","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212571","12.977","0.003","9.0177","0.0014","12.592","0.003","90","","94.82","0.018","90","","1468.3","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","0.5","","Muñoz, M. Carmen; Blay, Gonzalo; Fernández, Isabel; Pedro, José R.; Carrasco, Rosa; Castellano, María; Ruiz-García, Rafael; Cano, Joan","Topological control in the hydrogen bond-directed self-assembly of ortho-, meta-, and para-phenylene-substituted dioxamic acid diethyl esters","CrystEngComm","2010","12","8","2473","","10.1039/c001682a","","","0.71073","MoKα","","0.0694","0.0565","","","0.1604","0.1812","","","","","","0.827","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212572","15.8618","0.0004","6.4886","0.0002","16.1829","0.0005","90","","109.029","0.001","90","","1574.54","0.08","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag F6 N6 P -","- C12 H14 Ag F6 N6 P -","- C48 H56 Ag4 F24 N24 P4 -","4","0.5","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.034","0.0286","","","0.0691","0.0721","","","","","","1.026","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212573","15.7412","0.0006","6.6018","0.0002","16.5704","0.0007","90","","109.108","0.002","90","","1627.12","0.11","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag F6 N6 Sb -","- C12 H14 Ag F6 N6 Sb -","- C48 H56 Ag4 F24 N24 Sb4 -","4","0.5","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.037","0.0315","","","0.0756","0.0792","","","","","","1.046","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212574","28.677","0.0005","13.737","0.0004","18.424","0.0004","90","","123.91","0.001","90","","6023.4","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag Cl N6 O4 -","- C12 H14 Ag Cl N6 O4 -","- C192 H224 Ag16 Cl16 N96 O64 -","16","2","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.1008","0.0495","","","0.1153","0.1541","","","","","","1.037","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212575","12.595","0.003","10.732","0.002","10.892","0.002","90","","108.52","0.03","90","","1396","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ag N7 O3 -","- C12 H14 Ag N7 O3 -","- C48 H56 Ag4 N28 O12 -","4","0.5","","Hsu, Shu-Chun; Wu, Jing-Yun; Lee, Chin-Fen; Lee, Chung-Chou; Lai, Long-Li; Lu, Kuang-Lieh","Flexible “piperazine‒pyrazine” building blocks: conformational isomerism of “equatorial‒axial” sites toward the constructions of silver(i) coordination chains","CrystEngComm","2010","12","11","3388","","10.1039/c001735c","","","0.71073","MoKα","","0.0195","0.018","","","0.0462","0.0465","","","","","","1.093","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212576","8.4509","0.0003","16.1974","0.0004","9.8423","0.0004","90","","106.324","0.004","90","","1292.93","0.08","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cu I N4 -","- C12 H10 Cu I N4 -","- C48 H40 Cu4 I4 N16 -","4","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen","Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks","CrystEngComm","2010","12","7","2203","","10.1039/c002030n","","","0.71073","MoKα","","0.0407","0.024","","","0.0266","0.0273","","","","","","0.999","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212577","11.8984","0.0013","16.3498","0.0017","15.6505","0.0017","90","","95.531","0.001","90","","3030.4","0.6","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu2 I2 N4 -","- C12 H10 Cu2 I2 N4 -","- C96 H80 Cu16 I16 N32 -","8","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen","Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks","CrystEngComm","2010","12","7","2203","","10.1039/c002030n","","","0.71073","MoKα","","0.0396","0.0352","","","0.0954","0.0978","","","","","","1.092","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212578","7.5406","0.0006","12.2655","0.001","18.374","0.0016","90","","90","","90","","1699.4","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cu3 I3 N4 -","- C12 H10 Cu3 I3 N4 -","- C48 H40 Cu12 I12 N16 -","4","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen","Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks","CrystEngComm","2010","12","7","2203","","10.1039/c002030n","","","0.71073","MoKα","","0.0846","0.0518","","","0.0699","0.0738","","","","","","0.972","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212579","19.1014","0.0013","22.2971","0.0015","11.1094","0.0008","90","","90","","90","","4731.6","0.6","297","2","297","2","","","","","","","","6","P n n a","-P 2a 2bc","52","CF3CO2Ag-4-pyridylethynide","","","- C33 H16 Ag9 F18 N3 O14 -","- C33 H12 Ag9 F18 N3 O14 -","- C132 H48 Ag36 F72 N12 O56 -","4","0.5","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.0897","0.0718","","","0.1776","0.1892","","","","","","1.071","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212580","7.83","0.0004","19.3402","0.0009","15.1026","0.0007","90","","95.725","0.001","90","","2275.64","0.19","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-Pyridylethynide-AgNO3","","","- C14 H8 Ag6 N6 O12 -","- C14 H8 Ag6 N6 O12 -","- C56 H32 Ag24 N24 O48 -","4","1","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.1732","0.1647","","","0.329","0.3332","","","","","","1.102","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212581","15.5338","0.0004","16.0601","0.0005","17.2227","0.0006","90","","90","","90","","4296.6","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","5-Pyrimidylethynide-CF3CO2Ag","","","- C12 H9 Ag4 F9 N2 O9 -","- C12 H9 Ag4 F9 N2 O9 -","- C96 H72 Ag32 F72 N16 O72 -","8","1","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.0548","0.0395","","","0.0855","0.0892","","","","","","0.945","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212582","7.9993","0.0005","11.2241","0.0008","16.2302","0.0011","90","","96.836","0.001","90","","1446.87","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AgNO3-5-pyrimidylethynide","","","- C6 H5 Ag4 N5 O10 -","- C6 H3 Ag4 N5 O10 -","- C24 H12 Ag16 N20 O40 -","4","1","","Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin","Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units","CrystEngComm","2010","12","10","3027","","10.1039/c002038a","","","0.71073","MoKα","","0.0624","0.0522","","","0.1436","0.1684","","","","","","1.145","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212583","17.4139","0.0011","13.3693","0.0008","18.4844","0.001","90","","90.492","0.002","90","","4303.2","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","215077 (3694-81-02)","","- C24 H26 N4 O5 -","- C24 H26 N4 O5 -","- C192 H208 N32 O40 -","8","2","","Schultheiss, Nate; Bethune, Sarah; Henck, Jan-Olav","Nutraceutical cocrystals: utilizing pterostilbene as a cocrystal former","CrystEngComm","2010","12","8","2436","","10.1039/c002045a","","","0.71073","MoKα","","0.0935","0.0581","","","0.1606","0.1833","","","","","","1.064","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212584","17.424","0.002","26.809","0.004","18.546","0.002","90","","90.225","0.005","90","","8663.1","1.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","204542","","- C24 H26 N4 O5 -","- C24 H26 N4 O5 -","- C384 H416 N64 O80 -","16","4","","Schultheiss, Nate; Bethune, Sarah; Henck, Jan-Olav","Nutraceutical cocrystals: utilizing pterostilbene as a cocrystal former","CrystEngComm","2010","12","8","2436","","10.1039/c002045a","","","0.71073","MoKα","","0.1316","0.0728","","","0.1796","0.2094","","","","","","1.028","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212585","38.809","0.003","5.3921","0.0004","26.7284","0.0017","90","","117.306","0.003","90","","4970","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","205650","","- C31 H28 N2 O4 -","- C31 H28 N2 O4 -","- C248 H224 N16 O32 -","8","1","","Schultheiss, Nate; Bethune, Sarah; Henck, Jan-Olav","Nutraceutical cocrystals: utilizing pterostilbene as a cocrystal former","CrystEngComm","2010","12","8","2436","","10.1039/c002045a","","","0.71073","MoKα","","0.0882","0.0515","","","0.1208","0.1361","","","","","","1.085","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212586","13.5399","0.0006","13.5399","0.0006","17.0465","0.0014","90","","90","","120","","2706.4","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H13 N6 O27.5 Tb2 -","- C24 H6 N6 O27.5 Tb2 -","- C72 H18 N18 O82.5 Tb6 -","3","0.166667","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0369","0.0332","","","0.0909","0.0939","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212587","15.4","0.001","6.7287","0.0003","14.252","0.001","90","","90","","90","","1476.82","0.16","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H8 Eu K N2 O12 -","- C8 H2 Eu K N2 O12 -","- C32 H8 Eu4 K4 N8 O48 -","4","0.5","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0603","0.0546","","","0.1448","0.1489","","","","","","1.081","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212588","7.3656","0.0008","10.0285","0.0014","12.687","0.002","73.074","0.007","83.655","0.009","83.857","0.009","888.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Eu O13 -","- C17 H13 Eu O13 -","- C34 H26 Eu2 O26 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0808","0.0714","","","0.203","0.2102","","","","","","1.077","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212589","7.339","0.0012","10.0486","0.0017","12.6313","0.0019","72.917","0.005","83.391","0.007","83.719","0.007","881.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Gd O13 -","- C17 H13 Gd O13 -","- C34 H26 Gd2 O26 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.1156","0.085","","","0.2279","0.249","","","","","","1","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212590","7.3207","0.0007","10.0387","0.0012","12.6282","0.0018","72.998","0.006","83.552","0.007","83.817","0.007","879.13","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 O13 Tb -","- C17 H13 O13 Tb -","- C34 H26 O26 Tb2 -","2","1","","Thuéry, Pierre; Masci, Bernardo","Lanthanide‒organic assemblies with pyrazinetetracarboxylic and benzophenone-3,3′,4,4′-tetracarboxylic acids","CrystEngComm","2010","12","10","2982","","10.1039/c002054k","","","0.71073","MoKα","","0.0853","0.0666","","","0.1737","0.1829","","","","","","1.041","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212591","41.327","0.008","9.79","0.002","16.801","0.003","90","","103.67","0.03","90","","6605","2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cl2 Fe N12 O8 -","- C32 H24 Cl2 Fe N12 O8 -","- C256 H192 Cl16 Fe8 N96 O64 -","8","1","","Šalitroš, Ivan; Pavlik, Ján; Boča, Roman; Fuhr, Olaf; Rajadurai, Chandrasekar; Ruben, Mario","Supramolecular lattice-solvent control of iron(ii) spin transition parameters","CrystEngComm","2010","12","8","2361","","10.1039/c002082f","","","0.71073","MoKα","","0.1265","0.0647","","","0.1375","0.1617","","","","","","0.93","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212592","41.196","0.008","9.874","0.002","16.528","0.003","90","","104.03","0.03","90","","6523","2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 B2 F8 Fe N12 -","- C32 H24 B2 F8 Fe N12 -","- C256 H192 B16 F64 Fe8 N96 -","8","1","","Šalitroš, Ivan; Pavlik, Ján; Boča, Roman; Fuhr, Olaf; Rajadurai, Chandrasekar; Ruben, Mario","Supramolecular lattice-solvent control of iron(ii) spin transition parameters","CrystEngComm","2010","12","8","2361","","10.1039/c002082f","","","0.71073","MoKα","","0.0744","0.0639","","","0.1774","0.1857","","","","","","1.045","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212593","15.177","0.003","17.099","0.0019","16.797","0.003","90","","111.742","0.014","90","","4048.9","1.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 B3 F12 Fe N13 O -","- C34 H30 B3 F12 Fe N13 O -","- C136 H120 B12 F48 Fe4 N52 O4 -","4","1","","Šalitroš, Ivan; Pavlik, Ján; Boča, Roman; Fuhr, Olaf; Rajadurai, Chandrasekar; Ruben, Mario","Supramolecular lattice-solvent control of iron(ii) spin transition parameters","CrystEngComm","2010","12","8","2361","","10.1039/c002082f","","","0.71073","MoKα","","0.082","0.0739","","","0.2034","0.2111","","","","","","1.046","","","","has coordinates,has disorder","180456","2020-10-21","18:00:00",""
"7212594","10.2557","0.0012","14.7071","0.0019","14.8141","0.0018","90.327","0.01","90.161","0.01","97.787","0.01","2213.8","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 O16 Pr2 -","- C46 H46 O16 Pr2 -","- C92 H92 O32 Pr4 -","2","1","","Nayak, Sanjit; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","[Ln2(PhCO2)6(MeOH)4] (Ln = Pr, Nd, Gd): the effect of lanthanide radius on network dimensionality","CrystEngComm","2010","12","10","3008","","10.1039/c002284e","","","0.71073","MoKα","","0.1089","0.0698","","","0.1646","0.1783","","","","","","0.992","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212595","10.14","0.0006","15.063","0.0015","16.577","0.0018","94.96","0.008","104.473","0.008","92.006","0.007","2438.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H66 Eu2 Fe4 N30 O20 -","- C72 H38 Eu2 Fe4 N30 O20 -","- C72 H38 Eu2 Fe4 N30 O20 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.0552","0.0385","","","0.0976","0.1075","","","","","","1.091","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212596","10.1241","0.0006","14.9965","0.0012","16.4861","0.001","94.712","0.007","104.484","0.005","92.13","0.005","2411","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H74 Fe4 Gd2 N30 O23 -","- C72 H38 Fe4 Gd2 N30 O23 -","- C72 H38 Fe4 Gd2 N30 O23 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.0354","0.0303","","","0.0841","0.0895","","","","","","1.126","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212597","10.066","0.001","15.011","0.0013","16.587","0.0007","94.664","0.005","104.432","0.006","92.157","0.01","2414.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H66 Dy2 Fe4 N30 O20 -","- C72 H38 Dy2 Fe4 N30 O20 -","- C72 H38 Dy2 Fe4 N30 O20 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.0346","0.0264","","","0.0729","0.0791","","","","","","1.123","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212598","10.045","0.0009","15.013","0.001","16.629","0.0015","95.024","0.004","104.536","0.004","92.254","0.005","2413.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H66 Fe4 Ho2 N30 O20 -","- C72 H38 Fe4 Ho2 N30 O20 -","- C72 H38 Fe4 Ho2 N30 O20 -","1","0.5","","Visinescu, Diana; Fabelo, Oscar; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel","[Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d‒4f heterobimetallic complexes with mixed bpym-cyano bridges (phen = 1,10-phenantroline, bpym = 2,2′-bipyrimidine)","CrystEngComm","2010","12","8","2454","","10.1039/c002305a","","x-ray","0.71073","MoKα","","0.08","0.0651","","","0.19","0.2029","","","","","","1.302","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212599","17.5941","0.0019","8.5724","0.0009","16.3844","0.0018","90","","106.052","0.002","90","","2374.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 Co3 N12 O14 -","- C48 H46 Co3 N12 O14 -","- C96 H92 Co6 N24 O28 -","2","0.5","","Su, Zhi; Song, You; Bai, Zheng-Shuai; Fan, Jian; Liu, Guang-Xiang; Sun, Wei-Yin","Unprecedented three-dimensional 10-connected bct nets based on trinuclear secondary building units and their magnetic behavior","CrystEngComm","2010","12","12","4339","","10.1039/c002366c","","","0.71073","MoKα","","0.037","0.0337","","","0.0839","0.0856","","","","","","1.05","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212600","18.3958","0.0016","8.4767","0.0007","16.6419","0.0014","90","","108.424","0.001","90","","2462.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H47.82 Mn3 N12 O14.92 -","- C48 H42 Mn3 N12 O14.922 -","- C96 H84 Mn6 N24 O29.844 -","2","0.5","","Su, Zhi; Song, You; Bai, Zheng-Shuai; Fan, Jian; Liu, Guang-Xiang; Sun, Wei-Yin","Unprecedented three-dimensional 10-connected bct nets based on trinuclear secondary building units and their magnetic behavior","CrystEngComm","2010","12","12","4339","","10.1039/c002366c","","","0.71073","MoKα","","0.0447","0.0409","","","0.1025","0.1049","","","","","","1.061","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212601","17.4216","0.0015","8.507","0.0007","16.3463","0.0014","90","","106.566","0.001","90","","2322.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 N12 Ni3 O14 -","- C48 H42 N12 Ni3 O14 -","- C96 H84 N24 Ni6 O28 -","2","0.5","","Su, Zhi; Song, You; Bai, Zheng-Shuai; Fan, Jian; Liu, Guang-Xiang; Sun, Wei-Yin","Unprecedented three-dimensional 10-connected bct nets based on trinuclear secondary building units and their magnetic behavior","CrystEngComm","2010","12","12","4339","","10.1039/c002366c","","","0.71073","MoKα","","0.0375","0.0355","","","0.0989","0.1003","","","","","","1.081","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212602","12.424","0.003","27.645","0.006","14.359","0.003","90","","93.55","0.03","90","","4922.3","1.9","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C92 H88 F12 N6 O22 Ru4 S4 -","- C92 H84 F12 N6 O22 Ru4 S4 -","- C184 H168 F24 N12 O44 Ru8 S8 -","2","1","","Linares, Fátima; Procopio, Elsa Quartapelle; Galindo, Miguel A.; Romero, M. Angustias; Navarro, Jorge A. R.; Barea, Elisa","Molecular architecture of redox-active half-sandwich Ru(ii) cyclic assemblies. Interactions with biomolecules and anticancer activity","CrystEngComm","2010","12","8","2343","","10.1039/c002411b","","","0.71073","MoKα","","0.0664","0.0541","","","0.1387","0.1519","","","","","","0.953","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212603","9.54","0.003","10.457","0.004","10.605","0.004","73.863","0.007","63.928","0.007","64.003","0.006","849.4","0.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N4 O8 Rh2 -","- C36 H30 N4 O8 Rh2 -","- C36 H30 N4 O8 Rh2 -","1","0.5","","Takamizawa, Satoshi; Miyake, Ryosuke","Acetonitrile vapour inclusion in single-crystal adsorbents [MII2(bza)4(pyz)]n (MII = Rh, Cu)","CrystEngComm","2010","12","10","2728","","10.1039/c002569k","","","0.71073","MoKα","","0.0826","0.0584","","","0.1775","0.1965","","","","","","1.185","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212604","12.2892","0.0015","11.0889","0.0014","16.49","0.002","90","","110.129","0.014","90","","2109.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C38 H34 Cu3 N6 O23 -","- C38 H30 Cu3 N6 O23 -","- C76 H60 Cu6 N12 O46 -","2","0.5","","Yan, Si-Tang; Shi, Lian-Xu; Sun, Fei-Fei; Wu, Chuan-De","The roles of the coordination modes of bridging ligands for the formation of two 3D metal‒organic coordination networks","CrystEngComm","2010","12","11","3437","","10.1039/c002573a","","","0.71073","MoKα","","0.119","0.0507","","","0.0788","0.0851","","","","","","0.912","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212605","14.4711","0.0003","14.6161","0.0003","17.8745","0.0005","90","","90.238","0.002","90","","3780.62","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N4 O27 Zn4 -","- C28 H32 N4 O27 Zn4 -","- C112 H128 N16 O108 Zn16 -","4","1","","Yan, Si-Tang; Shi, Lian-Xu; Sun, Fei-Fei; Wu, Chuan-De","The roles of the coordination modes of bridging ligands for the formation of two 3D metal‒organic coordination networks","CrystEngComm","2010","12","11","3437","","10.1039/c002573a","","","0.71073","MoKα","","0.0555","0.0307","","","0.0677","0.0708","","","","","","0.941","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212606","8.9116","0.0018","9.2445","0.0018","18.724","0.004","103.92","0.03","92.14","0.03","109.46","0.03","1400","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H34 Co N6 O19 Zn2 -","- C13 H24 Co N6 O19 Zn2 -","- C26 H48 Co2 N12 O38 Zn4 -","2","1","","Pan, Qinhe; Chen, Qiang; Song, Wei-Chao; Hu, Tong-Liang; Bu, Xian-He","Template-directed synthesis of three new open-framework metal(ii) oxalates using Co(iii) complex as template","CrystEngComm","2010","12","12","4198","","10.1039/c002658a","","","0.71073","MoKα","","0.1445","0.0811","","","0.1298","0.1491","","","","","","1.091","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212607","13.133","0.003","22.41","0.005","10.267","0.002","90","","98.96","0.03","90","","2984.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H38 Co Mn2 N6 O20 -","- C15 H26 Co Mn2 N6 O20 -","- C60 H104 Co4 Mn8 N24 O80 -","4","1","","Pan, Qinhe; Chen, Qiang; Song, Wei-Chao; Hu, Tong-Liang; Bu, Xian-He","Template-directed synthesis of three new open-framework metal(ii) oxalates using Co(iii) complex as template","CrystEngComm","2010","12","12","4198","","10.1039/c002658a","","","0.71073","MoKα","","0.1283","0.0817","","","0.1454","0.1635","","","","","","1.117","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212608","16.955","0.003","9.543","0.0019","18.549","0.004","90","","90.01","0.03","90","","3001.3","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H35 Cd2 Co N6 O19.5 -","- C15 H26 Cd2 Co N6 O19.5 -","- C60 H104 Cd8 Co4 N24 O78 -","4","1","","Pan, Qinhe; Chen, Qiang; Song, Wei-Chao; Hu, Tong-Liang; Bu, Xian-He","Template-directed synthesis of three new open-framework metal(ii) oxalates using Co(iii) complex as template","CrystEngComm","2010","12","12","4198","","10.1039/c002658a","","","0.71073","MoKα","","0.1363","0.0823","","","0.1295","0.1452","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212609","17.124","0.003","17.124","0.003","5.3921","0.0012","90","","90","","90","","1581.1","0.5","293","2","293","2","","","","","","","","6","P 4 21 2","P 4ab 2ab","90","","","","- C24 H33 Cd2 Cl N8 O16 -","- C24 H33 Cd2 Cl N8 O16 -","- C48 H66 Cd4 Cl2 N16 O32 -","2","0.25","","Sang, Rui-Li; Xu, Li","Helix-based supramolecular isomerism of metal‒organic framework","CrystEngComm","2010","12","11","3579","","10.1039/c002677h","","","0.71073","MoKα","","0.0339","0.0318","","","0.0871","0.0891","","","","","","1.103","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212610","16.007","0.0004","16.007","0.0004","24.156","0.001","90","","90","","90","","6189.3","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C12 H16 Cd N4 O6 -","- C12 H16 Cd N4 O6 -","- C192 H256 Cd16 N64 O96 -","16","1","","Sang, Rui-Li; Xu, Li","Helix-based supramolecular isomerism of metal‒organic framework","CrystEngComm","2010","12","11","3579","","10.1039/c002677h","","","0.71073","MoKα","","0.0316","0.0311","","","0.071","0.0713","","","","","","1.073","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212611","8.44","0.0005","9.8301","0.0006","18.3307","0.0011","90","","116.651","0.004","90","","1359.25","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(1,1'-di(propinate)-2,2'-biimidazole)cadmium(ii) (aqua)","[1,1'-di(propinate)-2,2'-biimidazole]cadmium(II) (aqua)","","- C12 H14 Cd N4 O5 -","- C12 H14 Cd N4 O5 -","- C48 H56 Cd4 N16 O20 -","4","1","","Sang, Rui-Li; Xu, Li","Helix-based supramolecular isomerism of metal‒organic framework","CrystEngComm","2010","12","11","3579","","10.1039/c002677h","","","0.71073","MoKα","","0.0325","0.0293","","","0.0664","0.0682","","","","","","1.121","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212612","12.579","0.002","7.7219","0.0019","14.126","0.0015","90","","111.218","0.01","90","","1279.1","0.4","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Zeta CL-20 at 3.3 GPa","","","- C6 H6 N12 O12 -","- C6 H6 N12 O12 -","- C24 H24 N48 O48 -","4","1","","Millar, David I. A.; Maynard-Casely, Helen E.; Kleppe, Annette K.; Marshall, William G.; Pulham, Colin R.; Cumming, Adam S.","Putting the squeeze on energetic materials—structural characterisation of a high-pressure phase of CL-20","CrystEngComm","2010","12","9","2524","","10.1039/c002701d","","","0.71073","MoKα","","0.1673","0.0877","","0.1665","0.0885","0.0885","","","","","","1.1244","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212613","8.7099","0.0005","14.3387","0.0008","14.4473","0.0008","65.513","0.004","83.514","0.005","74.337","0.004","1581.04","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H30 Ag2 O4 -","- C40 H30 Ag2 O4 -","- C80 H60 Ag4 O8 -","2","1","","Akhbari, Kamran; Morsali, Ali","Silver nanofibers from the nanorods of one-dimensional organometallic coordination polymers","CrystEngComm","2010","12","11","3394","","10.1039/c002740e","","","0.71073","MoKα","","0.0466","0.0404","","","0.1003","0.1036","","","","","","1.035","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212614","5.2191","0.0003","10.1429","0.0005","9.1807","0.0005","90","","98.605","0.005","90","","480.53","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 F O2 -","- C4 H5 F O2 -","- C16 H20 F4 O8 -","4","1","","Belova, Natalya V.; Oberhammer, Heinz; Zeng, Xiaoqing; Gerken, Michael; Willner, Helge; Berger, Raphael J. F.; Hayes, Stuart A.; Mitzel, Norbert W.","The keto/enol tautomerism in acetoacetyl fluoride: properties, spectroscopy, and gas-phase and crystal structures of the enol form.","Physical chemistry chemical physics : PCCP","2010","12","37","11445","11453","10.1039/c002743j","","","0.71073","MoKα","","0.0503","0.0323","","","0.0721","0.0766","","","","","","0.902","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212615","15.6887","0.0003","15.6887","0.0003","22.2702","0.0008","90","","90","","120","","4747.1","0.2","150","","150","","","","","","","","CMs8","6","P -3 c 1","-P 3 2""c","165","","","","- C42 H42 Cl Mn3 N6 O14 -","- C39 H30 Cl Mn3 N6 O11 -","- C156 H120 Cl4 Mn12 N24 O44 -","4","0.333333","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.1095","0.0666","","0.1807","0.137","0.1807","","","","","","0.7718","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212616","13.4841","0.0004","18.4592","0.0005","19.6489","0.0006","90","","104.358","0.002","90","","4738","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H94 Mn6 N10 O20 -","- C96 H94 Mn6 N10 O20 -","- C192 H188 Mn12 N20 O40 -","2","0.5","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.1119","0.0717","","0.1737","0.1528","0.1737","","","","","","0.9928","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212617","21.4412","0.0013","21.4412","0.0013","28.5829","0.0017","90","","90","","120","","11379.8","1.2","150","2","150","2","","","","","","","Ross Inglis","6","R -3 :H","-R 3","148","","","","- C164 H141 Cl7 Mn6 N12 O27 -","- C162 H132 Cl7 Mn6 N12 O25.02 -","- C486 H396 Cl21 Mn18 N36 O75.06 -","3","0.166667","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.0879","0.0656","","","0.1771","0.1929","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212618","21.4257","0.0004","21.4257","0.0004","28.5757","0.0006","90","","90","","120","","11360.5","0.4","150","2","150","2","","","","","","","Ross Inglis","5","R -3 :H","-R 3","148","","","","- C174 H163 Mn6 N13 O24 -","- C174 H163 Mn6 N13 O24.02 -","- C522 H489 Mn18 N39 O72.06 -","3","0.166667","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.0591","0.0511","","","0.1325","0.1385","","","","","","1.131","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212619","27.8361","0.001","15.6707","0.0006","30.6046","0.0012","90","","112.593","0.002","90","","12325.5","0.8","150","2","150","2","","","","","","","Ross Inglis","6","C 1 2/c 1","-C 2yc","15","","","","- C214 H248 Cl4 Mn12 N28 O58 -","- C214 H248 Cl4 Mn12 N28 O58 -","- C428 H496 Cl8 Mn24 N56 O116 -","2","0.25","","Inglis, Ross; Katsenis, Athanassios D.; Collins, Anna; White, Fraser; Milios, Constantinos J.; Papaefstathiou, Giannis S.; Brechin, Euan K.","Assembling molecular triangles into discrete and infinite architectures","CrystEngComm","2010","12","7","2064","","10.1039/c002761h","","","0.71073","MoKα","","0.0983","0.0877","","","0.2198","0.2261","","","","","","1.099","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212620","31.652","0.006","13.133","0.003","17.79","0.004","90","","112.62","0.03","90","","6826","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H58 Cu2 F12 N12 P2 S6 -","- C66 H58 Cu2 F12 N12 P2 S6 -","- C264 H232 Cu8 F48 N48 P8 S24 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.0513","0.0458","","","0.1126","0.116","","","","","","1.117","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212621","8.15","0.0002","9.9823","0.0002","24.1761","0.0005","90","","95.3134","0.001","90","","1958.41","0.07","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 S2 -","- C22 H18 N4 S2 -","- C88 H72 N16 S8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.0703","0.0338","","0.0595","0.0408","0.0408","","","","","","0.953","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212622","13.116","0.0005","15.6202","0.0004","15.8881","0.0005","64.7657","0.0019","74.9436","0.0017","82.34","0.002","2842.41","0.17","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H42 Cu2 F12 N10 O4 P2 S6 -","- C46 H42 Cu2 F12 N10 O4 P2 S6 -","- C92 H84 Cu4 F24 N20 O8 P4 S12 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.121","0.0673","","0.0928","0.0518","0.0518","","","","","","0.9867","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212623","8.8298","0.0003","9.2158","0.0003","16.7316","0.0006","95.463","0.002","99.365","0.001","106.123","0.001","1276.29","0.08","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H22 Cl4 Cu N4 O S2 -","- C22 H22 Cl4 Cu N4 O S2 -","- C44 H44 Cl8 Cu2 N8 O2 S4 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.025","0.0212","","0.0216","0.0189","0.0189","","","","","","1.0669","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212624","10.7126","0.0008","13.4955","0.001","7.1375","0.0006","90","","107.011","0.003","90","","986.74","0.13","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C44 H40 N8 S4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.143","0.1118","","0.0992","0.0915","0.0899","","","","","","0.8362","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212625","13.7648","0.0002","13.7648","0.0002","23.6808","0.0006","90","","90","","90","","4486.79","0.15","173","","173","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C44 H40 Cu F6 N8 P S4 -","- C44 H40 Cu F6 N8 P S4 -","- C176 H160 Cu4 F24 N32 P4 S16 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Price, Jason R.; Zampese, Jennifer A.","Redox addressable ligands in copper(i) coordination chemistry: thione and oligosulfide-bridged 6-methyl-2,2′-bipyridines","CrystEngComm","2010","12","10","2928","","10.1039/c002827d","","","0.71073","MoKα","","0.0583","0.0262","","0.0601","0.0304","0.0304","","","","","","1.0384","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212626","21.0221","0.0013","13.092","0.0006","14.5647","0.0009","90","","109.382","0.007","90","","3781.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 F6 P2 -","- C19 H18 F6 P2 -","- C152 H144 F48 P16 -","8","2","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","1.54178","CuKα","","0.1241","0.1045","","","0.2974","0.3091","","","","","","1.004","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212627","10.496","0.0005","13.6086","0.0006","13.6691","0.0011","87.766","0.005","87.959","0.005","74.793","0.004","1882","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 F6 P2 -","- C19 H18 F6 P2 -","- C76 H72 F24 P8 -","4","2","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.1447","0.1249","","","0.3227","0.3317","","","","","","1.003","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212628","16.946","0.002","16.946","","14.303","0.002","90","","90","","90","","4107.3","0.8","100","2","100","2","","","","","","","","4","I -4","I -4","82","","","","- C26 H20 N3 P -","- C26 H20 N3 P -","- C208 H160 N24 P8 -","8","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0487","0.0381","","","0.0793","0.0813","","","","","","1","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212629","12.9268","0.0001","12.2301","0.0001","13.3369","0.0001","90","","91.491","0.001","90","","2107.8","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N P S -","- C26 H22 N P S -","- C104 H88 N4 P4 S4 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0687","0.0509","","","0.1374","0.1434","","","","","","1.015","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212630","9.9669","0.0002","9.9669","","40.3361","0.0006","90","","90","","120","","3470.12","0.09","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C25 H22 F6 P2 -","- C25 H22 F6 P2 -","- C150 H132 F36 P12 -","6","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0538","0.0417","","","0.1038","0.1068","","","","","","1.005","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212631","11.2246","0.0004","19.4426","0.0007","11.2114","0.0004","90","","105.701","0.004","90","","2355.43","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 F3 O3 P S -","- C26 H22 F3 O3 P S -","- C104 H88 F12 O12 P4 S4 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0573","0.0363","","","0.0906","0.0955","","","","","","1.003","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212632","9.7892","0.0004","11.4559","0.0006","21.464","0.001","88.629","0.004","86.009","0.003","75.805","0.004","2327.85","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 F3 O3 P S -","- C26 H22 F3 O3 P S -","- C104 H88 F12 O12 P4 S4 -","4","2","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0974","0.0412","","","0.0605","0.0685","","","","","","0.8","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212633","9.9176","0.0004","13.7706","0.0006","14.1618","0.0006","90","","96.951","0.004","90","","1919.88","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 N6 P2 -","- C48 H38 N6 P2 -","- C96 H76 N12 P4 -","2","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0544","0.0395","","","0.1134","0.1186","","","","","","1.004","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212634","9.8685","0.0002","14.9561","0.0004","14.2387","0.0004","90","","97.885","0.002","90","","2081.68","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H38 N6 P2 -","- C52 H38 N6 P2 -","- C104 H76 N12 P4 -","2","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.069","0.0407","","","0.0841","0.0879","","","","","","1.006","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212635","9.5923","0.0005","11.4243","0.0006","12.2741","0.0006","107.982","0.005","90.275","0.004","101.322","0.004","1251.37","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H38 F12 N2 O8 P2 S4 -","- C48 H38 F12 N2 O8 P2 S4 -","- C48 H38 F12 N2 O8 P2 S4 -","1","0.5","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.0649","0.0401","","","0.1011","0.1089","","","","","","1.004","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212636","18.438","0.001","14.6101","0.0008","19.745","0.001","90","","93","0.007","90","","5311.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 F12 N2 O8 P2 S4 -","- C48 H38 F12 N2 O8 P2 S4 -","- C192 H152 F48 N8 O32 P8 S16 -","4","1","","Ling, Irene; Alias, Yatimah; Sobolev, Alexandre N.; Raston, Colin L.","Hirshfeld surface analysis of phosphonium salts","CrystEngComm","2010","12","12","4321","","10.1039/c002832k","","","0.71073","MoKα","","0.1628","0.0792","","","0.1899","0.2174","","","","","","1.005","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212637","18.9611","0.0017","9.3533","0.0009","19.6865","0.0018","90","","102.36","0.004","90","","3410.5","0.5","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Co F12 N6 O2 P2 -","- C32 H26 Co F12 N6 O2 P2 -","- C128 H104 Co4 F48 N24 O8 P8 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.1464","0.0738","","0.2162","0.1845","0.2162","","","","","","0.9258","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212638","14.7647","0.0004","13.8679","0.0003","19.3849","0.0005","90","","110.805","0.0011","90","","3710.36","0.16","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 Br3 Co N7 O3 -","- C36 H35 Br3 Co N7 O3 -","- C144 H140 Br12 Co4 N28 O12 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0905","0.0511","","0.0765","0.0567","0.0567","","","","","","1.0274","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212639","10.5795","0.0004","13.4992","0.0004","20.4174","0.0008","72.619","0.002","89.8082","0.0017","78.331","0.002","2720.17","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H41.5 Co F18 N8.5 O2 P3 -","- C41 H41.5 Co F18 N8.5 O2 P3 -","- C82 H83 Co2 F36 N17 O4 P6 -","2","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.1277","0.0598","","0.1008","0.0645","0.0705","","","","","","1.1113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212640","16.7813","0.0007","12.3488","0.0005","19.8304","0.0008","90","","90","","90","","4109.4","0.3","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C34 H29 Co F18 N7 O2 P3 -","- C34 H29 Co F18 N7 O2 P3 -","- C136 H116 Co4 F72 N28 O8 P12 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0573","0.0442","","0.0557","0.048","0.048","","","","","","1.1536","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212641","8.94","0.0013","8.94","0.0013","20.236","0.004","90","","90","","90","","1617.3","0.5","173","2","173","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C30 H20 Cl2 Co F12 N6 P2 -","- C30 H20 Cl2 Co F12 N6 P2 -","- C60 H40 Cl4 Co2 F24 N12 P4 -","2","0.25","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0335","0.0319","","","0.0806","0.0823","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212642","15.7364","0.0003","15.6546","0.0003","19.2908","0.0004","90","","107.777","0.001","90","","4525.32","0.16","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H47 Co F12 N7 O3 P2 -","- C42 H47 Co F12 N7 O3 P2 -","- C168 H188 Co4 F48 N28 O12 P8 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0697","0.0387","","0.0556","0.0424","0.0424","","","","","","1.0788","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212643","15.7438","0.0004","16.2492","0.0004","16.5825","0.0004","79.123","0.001","79.064","0.001","79.62","0.001","4044.22","0.17","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H37 Co F12 N7 O2 P2 -","- C38 H37 Co F12 N7 O2 P2 -","- C152 H148 Co4 F48 N28 O8 P8 -","4","2","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0782","0.0422","","0.078","0.0511","0.0511","","","","","","1.1267","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212644","16.3767","0.0006","12.2742","0.0004","19.5992","0.0007","90","","90","","90","","3939.7","0.2","173","","173","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H23 Cl2 Co F18 N7 P3 -","- C32 H23 Cl2 Co F18 N7 P3 -","- C128 H92 Cl8 Co4 F72 N28 P12 -","4","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0341","0.0309","","0.039","0.0364","0.0356","","","","","","1.0876","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212645","11.3947","0.0008","17.8294","0.0013","20.2985","0.0015","89.555","0.004","87.865","0.004","83.293","0.004","4092.8","0.5","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H29.5 Co F18 N8.5 P3 -","- C35 H29.5 Co F18 N8.5 P3 -","- C140 H118 Co4 F72 N34 P12 -","4","2","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0467","0.0316","","0.057","0.0322","0.0322","","","","","","1.0986","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212646","12.3479","0.0005","12.3479","0.0005","49.146","0.002","90","","90","","90","","7493.3","0.5","123","","123","","","","","","","","","6","P 43","P 4cw","78","","","","- C34 H28 Co F12 N8 P2 -","- C34 H28 Co F12 N8 P2 -","- C272 H224 Co8 F96 N64 P16 -","8","2","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.0588","0.0484","","0.0658","0.0504","0.0465","","","","","","1.0941","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212647","13.416","0.0013","20.1202","0.0018","30.775","0.003","90","","90","","90","","8307.2","1.4","123","","123","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H33 Co F18 N7 O2 P3 -","- C36 H33 Co F18 N7 O2 P3 -","- C288 H264 Co8 F144 N56 O16 P24 -","8","1","","Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Turning {M(tpy)2}n+ embraces and CH⋯π interactions on and off in homoleptic cobalt(ii) and cobalt(iii) bis(2,2′:6′,2″-terpyridine) complexes","CrystEngComm","2010","12","10","2949","","10.1039/c002834g","","","0.71073","MoKα","","0.045","0.0381","","0.1291","0.0593","0.0507","","","","","","1.1507","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212648","7.4001","0.0004","19.4843","0.0009","10.4745","0.0005","90","","94.216","0.001","90","","1506.19","0.13","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H34 Ge3 Mn3 N8 O S9 -","- C8 H34 Ge3 Mn3 N8 O S9 -","- C16 H68 Ge6 Mn6 N16 O2 S18 -","2","0.5","","Wang, Zhenqing; Xu, Gongfeng; Bi, Yanfeng; Wang, Cheng","Preparation of one dimensional group 14 metal sulfides: different roles of metal‒amino complexes","CrystEngComm","2010","12","11","3703","","10.1039/c002873h","","","0.71073","MoKα","","0.035","0.0276","","","0.071","0.0738","","","","","","1.075","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212649","10.122","0.003","13.308","0.005","9.63","0.003","90","","103.31","0.005","90","","1262.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Mn N4 S3 Sn -","- C4 H16 Mn N4 S3 Sn -","- C16 H64 Mn4 N16 S12 Sn4 -","4","1","","Wang, Zhenqing; Xu, Gongfeng; Bi, Yanfeng; Wang, Cheng","Preparation of one dimensional group 14 metal sulfides: different roles of metal‒amino complexes","CrystEngComm","2010","12","11","3703","","10.1039/c002873h","","","0.71073","MoKα","","0.0601","0.058","","","0.1979","0.1992","","","","","","1.16","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212650","13.9131","0.0008","14.4528","0.0009","20.545","0.001","76.206","0.001","74.406","0.001","64.936","0.001","3567.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cl2 Cu2 N6 O15 -","- C30 H30 Cl2 Cu2 N6 O15 -","- C120 H120 Cl8 Cu8 N24 O60 -","4","2","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.0911","0.062","","","0.1626","0.1835","","","","","","1.026","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212651","23.752","0.002","23.752","","14.2281","0.0012","90","","90","","120","","6951.5","0.8","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","[Cu3(OX1)2(MeCN)3](ClO4)3","","- C36 H39 Cl3 Cu3 N9 O18 -","- C36 H39 Cl3 Cu3 N9 O18 -","- C216 H234 Cl18 Cu18 N54 O108 -","6","0.333333","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.1065","0.0551","","","0.088","0.1034","","","","","","0.891","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212652","22.988","0.011","25.016","0.012","13.119","0.005","90","","90","","90","","7544","6","200","","200","","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","[Cu2Cl(OX1)2](ClO4)-9/4(H2O)-3/4(CH3CN)","","- C31.5 H36.75 Cl2 Cu2 N6.75 O12.25 -","- C31.5 H32.25 Cl2 Cu2 N6.75 O12.25 -","- C252 H258 Cl16 Cu16 N54 O98 -","8","1","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71075","MoKα","","0.2272","0.1452","","","0.3738","0.4192","","","","","","1.299","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212653","7.0086","0.0006","12.9662","0.0011","13.0105","0.0011","118.629","0.001","93.004","0.001","99.665","0.001","1010.92","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H40 Cl2 Cu2 N8 O16 -","- C34 H40 Cl2 Cu2 N8 O16 -","- C34 H40 Cl2 Cu2 N8 O16 -","1","0.5","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.0541","0.0449","","","0.1107","0.1148","","","","","","0.979","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7212654","7.145","0.009","11.1913","0.0015","11.4001","0.0016","85.809","0.003","76.365","0.003","77.003","0.003","863","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 Br2 Cu2 N3 O3 -","- C15 H15 Br2 Cu2 N3 O3 -","- C30 H30 Br4 Cu4 N6 O6 -","2","1","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.0786","0.0517","","","0.1198","0.1318","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212655","14.0625","0.0013","21.702","0.002","13.4908","0.0013","90","","90","","90","","4117.2","0.7","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C34 H36 Br4 Cu4 N8 O6 -","- C34 H36 Br4 Cu4 N8 O6 -","- C136 H144 Br16 Cu16 N32 O24 -","4","0.5","","Huang, Yong-Qing; Shen, Zhong-Liang; Zhou, Xia-Ying; Okamura, Taka-aki; Su, Zhi; Fan, Jian; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu","Metal‒organic frameworks with oxazoline-containing tripodal ligand: structure changes via reaction medium and metal-to-ligand ratio","CrystEngComm","2010","12","12","4328","","10.1039/c002874f","","","0.71073","MoKα","","0.1368","0.1028","","","0.1761","0.1897","","","","","","1.203","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212656","8.849","0.0007","13.869","0.001","10.818","0.0008","90","","90","","90","","1327.66","0.17","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C6 H14 N2 O8 P2 Zn -","- C6 H11 N2 O8 P2 Zn -","- C24 H44 N8 O32 P8 Zn4 -","4","1","","Feng, Jing-Dong; Tang, Shu-Wei; Shao, Kui-Zhan; Wang, Rong-Shun; Yao, Chan; Xie, Hai-Ming; Su, Zhong-Min","Helical channels, low framework density and structure-directing effect: a novel non-centrosymmetric zinc phosphate NIS-4 prepared by ionothermal reaction","CrystEngComm","2010","12","11","3448","","10.1039/c002882g","","","0.71069","MoKα","","0.0258","0.0245","","","0.0658","0.0663","","","","","","1.073","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212657","5.6975","0.0004","16.886","0.0013","11.0191","0.0005","90","","101.594","0.004","90","","1038.49","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Mpp","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1424","0.0664","","","0.1546","0.2015","","","","","","1.004","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212658","8.1453","0.0006","9.1925","0.0008","14.5347","0.0015","87.088","0.005","88.102","0.006","76.456","0.006","1056.41","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Mmp","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1372","0.0661","","","0.1464","0.1829","","","","","","1.012","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212659","6.1091","0.0004","25.558","0.002","7.7455","0.0002","90","","111.7","0.002","90","","1123.65","0.12","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","Mop","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1104","0.0556","","","0.1291","0.161","","","","","","1.021","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212660","5.2023","0.0002","7.7661","0.0004","26.5219","0.0012","89.078","0.003","89.687","0.003","90.024","0.002","1071.37","0.08","150","2","150","2","","","","","","","","4","P 1","P 1","1","Mpm","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","4","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.092","0.0592","","","0.1334","0.1538","","","","","","1.05","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212661","9.4025","0.0004","9.864","0.0005","12.4783","0.0007","86.077","0.002","85.8","0.003","69.39","0.003","1079.21","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Mmm","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","2","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1624","0.0763","","","0.1873","0.2535","","","","","","1.005","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212662","11.517","0.0002","10.48","0.0003","9.196","0.0003","90","","90","","90","","1109.94","0.05","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Mom","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.0574","0.0405","","","0.0862","0.0964","","","","","","1.106","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212663","5.9079","0.0003","7.714","0.0004","12.2606","0.0008","97.406","0.002","94.029","0.002","107.463","0.002","525.04","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Mpo","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C26 H24 N4 O2 -","2","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.0471","0.0389","","","0.1028","0.1087","","","","","","1.049","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212664","5.148","0.0003","13.9239","0.0014","15.0042","0.0013","90","","98","0.005","90","","1065.04","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Mmo","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.1358","0.0654","","","0.1544","0.1954","","","","","","1.023","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212665","7.2376","0.0004","8.5035","0.0006","9.0024","0.0005","92.327","0.003","97.349","0.003","95.259","0.003","546.42","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Moo","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C26 H24 N4 O2 -","2","1","","Mocilac, Pavle; Tallon, Mark; Lough, Alan J.; Gallagher, John F.","Synthesis, structural and conformational analysis of a 3 ×3 isomer grid based on nine methyl-N-(pyridyl)benzamides","CrystEngComm","2010","12","10","3080","","10.1039/c002986f","","","0.71073","MoKα","","0.0867","0.0626","","","0.1627","0.1844","","","","","","1.077","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212666","9.844","0.0002","19.4582","0.0005","39.7503","0.0009","78.821","0.002","88.8704","0.0019","88.114","0.002","7464.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","25, 26. 27. 28-tetratetrdecoxycalix(4)arene","","","- C84 H136 O4 -","- C84 H136 O4 -","- C336 H544 O16 -","4","2","","Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.","Mapping out the diversity of interplay of O-alkylated calix[4]arenes","CrystEngComm","2010","12","10","2666","","10.1039/c003053h","","","1.54184","CuKα","","0.107","0.0612","","","0.1619","0.1881","","","","","","1.035","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212667","16.2891","0.0003","43.0728","0.0006","19.5152","0.0003","90","","90.418","0.002","90","","13691.8","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","25,26,27,28-tetradodecoxycalix(4)arene","","","- C76 H120 O4 -","- C76 H120 O4 -","- C608 H960 O32 -","8","4","","Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.","Mapping out the diversity of interplay of O-alkylated calix[4]arenes","CrystEngComm","2010","12","10","2666","","10.1039/c003053h","","","1.54178","CuKα","","0.1027","0.0894","","","0.234","0.255","","","","","","1.001","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212668","16.7708","0.0005","18.7282","0.0004","29.5329","0.0006","90.194","0.002","97.457","0.002","91.695","0.002","9193.2","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","25, 26. 27. 28-tetrahexadecoxycalix(4)arene","","","- C92 H162 O9 -","- C92 H152 O9 -","- C368 H608 O36 -","4","2","","Martin, Adam D.; Sobolev, Alexandre N.; Raston, Colin L.","Mapping out the diversity of interplay of O-alkylated calix[4]arenes","CrystEngComm","2010","12","10","2666","","10.1039/c003053h","","","1.54178","CuKα","","0.3621","0.1041","","","0.2066","0.2629","","","","","","1.017","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212669","13.7352","0.0011","13.7352","0.0011","3.634","0.0004","90","","90","","90","","685.57","0.11","150","2","150","2","","","","","","","","5","P -4 b 2","P -4 -2ab","117","","","","- C10 H6 Cl6 Co N2 -","- C10 H6 Cl6 Co N2 -","- C20 H12 Cl12 Co2 N4 -","2","0.25","","Clemente-Juan, Juan M.; Coronado, Eugenio; Mínguez Espallargas, Guillermo; Adams, Harry; Brammer, Lee","Effects of halogen bonding in ferromagnetic chains based on Co(ii) coordination polymers","CrystEngComm","2010","12","8","2339","","10.1039/c003078c","","","0.71073","MoKα","","0.0307","0.0288","","","0.0888","0.0896","","","","","","1.179","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212670","13.7871","0.001","13.7871","0.001","3.7439","0.0006","90","","90","","90","","711.66","0.14","150","2","150","2","","","","","","","","6","P -4 b 2","P -4 -2ab","117","","","","- C10 H6 Br4 Cl2 Co N2 -","- C10 H6 Br4 Cl2 Co N2 -","- C20 H12 Br8 Cl4 Co2 N4 -","2","0.25","","Clemente-Juan, Juan M.; Coronado, Eugenio; Mínguez Espallargas, Guillermo; Adams, Harry; Brammer, Lee","Effects of halogen bonding in ferromagnetic chains based on Co(ii) coordination polymers","CrystEngComm","2010","12","8","2339","","10.1039/c003078c","","","0.71073","MoKα","","0.031","0.0288","","","0.0902","0.0918","","","","","","1.129","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212671","12.036","0.003","15.301","0.004","16.906","0.005","108.3","0.005","101.394","0.004","102.28","0.005","2768.6","1.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H50 Co3 O24 -","- C66 H50 Co3 O24 -","- C66 H50 Co3 O24 -","1","0.5","","Liang, Li-Li; Ren, Shi-Bin; Wang, Jun; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","A 3-dimensional coordination polymer with a fluorite structure constructed from a semi-rigid tetrahedral ligand","CrystEngComm","2010","12","10","2669","","10.1039/c003203d","","","0.71073","MoKα","","0.0764","0.055","","","0.1183","0.1236","","","","","","1.028","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212672","15.826","0.0009","22.4438","0.0013","25.4429","0.0016","90","","90","","90","","9037.2","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyanocobalamin hydrate","5,6-Dimethylbenzimidazolyl cyanocobamide hydrate","","- C63 H135 Co N14 O37.5 P -","- C63 H88 Co N14 O23 P -","- C252 H352 Co4 N56 O92 P4 -","4","1","","Fabbiani, Francesca P. A.; Buth, Gernot; Dittrich, Birger; Sowa, Heidrun","Pressure-induced structural changes in wet vitamin B12","CrystEngComm","2010","12","9","2541","","10.1039/c003378b","","","0.71073","synchrotron","","0.0932","0.0731","","","0.206","0.2254","","","","","","1.021","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212673","15.9455","0.0004","21.0511","0.0005","23.8739","0.0008","90","","90","","90","","8013.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyanocobalamin hydrate","5,6-Dimethylbenzimidazolyl cyanocobamide hydrate","","- C63 H132 Co N14 O36 P -","- C63 H88 Co N14 O36 P -","- C252 H352 Co4 N56 O144 P4 -","4","1","","Fabbiani, Francesca P. A.; Buth, Gernot; Dittrich, Birger; Sowa, Heidrun","Pressure-induced structural changes in wet vitamin B12","CrystEngComm","2010","12","9","2541","","10.1039/c003378b","","","0.72","synchrotron","","0.0968","0.0665","","","0.1837","0.2165","","","","","","1.038","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212674","9.6596","0.0004","38.8963","0.0017","12.5248","0.0005","90","","102.989","0.001","90","","4585.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 F8 N12 Ru2 -","- C48 H32 F8 N12 Ru2 -","- C192 H128 F32 N48 Ru8 -","4","1","","Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Urbanos, Francisco A.","First microwave synthesis of multiple metal-metal bond paddlewheel compounds","Green Chemistry","2010","12","6","965","","10.1039/c003411h","","","0.71073","MoKα","","0.0984","0.0459","","","0.0912","0.1139","","","","","","1.012","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212675","12.595","0.003","17.501","0.005","23.862","0.006","89.857","0.005","77.873","0.005","69.836","0.005","4813","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H87 Ba Cl2 F9 O30 P8 -","- C76 H76 Ba Cl2 F6 O29 P8 -","- C152 H152 Ba2 Cl4 F12 O58 P16 -","2","1","","Melegari, Monica; Massera, Chiara; Ugozzoli, Franco; Dalcanale, Enrico","Tetraphosphonate cavitands: interplay between metal coordination and H-bonding in the formation of dimeric capsules","CrystEngComm","2010","12","7","2057","","10.1039/c003426f","","","0.71069","MoKα","","0.0985","0.0642","","","0.1642","0.1824","","","","","","1.003","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212676","12.6644","0.0017","13.9674","0.0019","16.164","0.002","106.558","0.002","112.004","0.002","97.153","0.003","2453.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H92 Ca Cl2 F12 O32 P8 -","- C80 H80 Ca Cl2 F12 O32 P8 -","- C80 H80 Ca Cl2 F12 O32 P8 -","1","0.5","","Melegari, Monica; Massera, Chiara; Ugozzoli, Franco; Dalcanale, Enrico","Tetraphosphonate cavitands: interplay between metal coordination and H-bonding in the formation of dimeric capsules","CrystEngComm","2010","12","7","2057","","10.1039/c003426f","","","0.71069","MoKα","","0.1437","0.073","","","0.1974","0.2291","","","","","","1.001","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212677","12.7839","0.0007","18.1535","0.001","26.2766","0.0014","78.81","0.001","83.73","0.001","70.891","0.001","5645.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H109 Cl4 F15 O40 P8 Zn2 -","- C76 H76 Cl4 F6 O37 P8 Zn2 -","- C152 H152 Cl8 F12 O74 P16 Zn4 -","2","1","","Melegari, Monica; Massera, Chiara; Ugozzoli, Franco; Dalcanale, Enrico","Tetraphosphonate cavitands: interplay between metal coordination and H-bonding in the formation of dimeric capsules","CrystEngComm","2010","12","7","2057","","10.1039/c003426f","","","0.71069","MoKα","","0.0762","0.0516","","","0.146","0.1537","","","","","","0.998","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212678","11.9041","0.0018","14.8949","0.0022","18.2861","0.0027","103.601","0.011","90.669","0.01","98.66","0.011","3111.7","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H88 Co4 N44 -","- C152 H88 Co4 N44 -","- C152 H88 Co4 N44 -","1","0.5","","Janczak, Jan; Kubiak, Ryszard","Pyrazine control of the supramolecular chemistry of iron(ii) and cobalt(ii) phthalocyanines","CrystEngComm","2010","12","11","3599","","10.1039/c003440a","","","0.71073","MoKα","","0.185","0.0455","","","0.0397","0.0465","","","","","","0.993","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212679","11.597","0.002","13.436","0.003","14.524","0.003","103.62","0.02","98.36","0.01","94.92","0.01","2159.1","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H60 Co3 N30 -","- C108 H60 Co3 N30 -","- C108 H60 Co3 N30 -","1","0.5","","Janczak, Jan; Kubiak, Ryszard","Pyrazine control of the supramolecular chemistry of iron(ii) and cobalt(ii) phthalocyanines","CrystEngComm","2010","12","11","3599","","10.1039/c003440a","","","0.71073","MoKα","","0.0986","0.0356","","","0.0449","0.048","","","","","","0.964","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212680","9.5301","0.0019","19.6721","0.0037","9.1369","0.0018","90","","111.26","0.01","90","","1596.4","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H24 Fe N12 -","- C40 H24 Fe N12 -","- C80 H48 Fe2 N24 -","2","0.5","","Janczak, Jan; Kubiak, Ryszard","Pyrazine control of the supramolecular chemistry of iron(ii) and cobalt(ii) phthalocyanines","CrystEngComm","2010","12","11","3599","","10.1039/c003440a","","","0.71073","MoKα","","0.0911","0.0368","","","0.0571","0.0625","","","","","","1.01","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212681","9.6352","0.0004","4.9435","0.0002","12.8853","0.0005","90","","121.808","0.002","90","","521.57","0.04","293","","293","","850000","","850000","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","","Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V.","Low temperature/high pressure polymorphism in dl-cysteine","CrystEngComm","2010","12","9","2551","","10.1039/c003617j","powder diffraction","x-ray","0.70007","","","","","","","","","","","0.1443","","","","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212682","9.712","0.005","4.9755","0.002","13.107","0.006","90","","121.849","0.025","90","","538","0.5","293","","293","","250000","","250000","","","","","5","P 1 21/a 1","-P 2yab","14","DL-cysteine","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","","Minkov, Vasily S.; Tumanov, Nikolay A.; Cabrera, Raul Quesada; Boldyreva, Elena V.","Low temperature/high pressure polymorphism in dl-cysteine","CrystEngComm","2010","12","9","2551","","10.1039/c003617j","powder diffraction","x-ray","0.70007","","","","","","","","","","","0.2005","","","","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212683","7.5435","0.0005","12.3178","0.0007","12.6712","0.0008","98.008","0.005","98.363","0.004","97.634","0.004","1139.35","0.13","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H8 F5 N -","- C13 H8 F5 N -","- C52 H32 F20 N4 -","4","2","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.1389","0.07","","","0.1142","0.1417","","","","","","1.066","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212684","11.5483","0.0003","7.7905","0.0002","7.7488","0.0002","90","","101.708","0.002","90","","682.63","0.03","123","0.1","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H9 Br F5 N -","- C13 H9 Br F5 N -","- C26 H18 Br2 F10 N2 -","2","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.0223","0.0201","","","0.0438","0.0445","","","","","","1.08","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212685","14.1734","0.0003","7.3775","0.0002","14.4255","0.0003","90","","112.497","0.002","90","","1393.6","0.06","123","0.1","123","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br Cl F5 N -","- C13 H8 Br Cl F5 N -","- C52 H32 Br4 Cl4 F20 N4 -","4","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.0305","0.0235","","","0.0492","0.0519","","","","","","1.051","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212686","7.778","0.0001","24.2111","0.0005","7.792","0.0001","90","","90","","90","","1467.34","0.04","123","0.1","123","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H8 Br2 F5 N -","- C13 H8 Br2 F5 N -","- C52 H32 Br8 F20 N4 -","4","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71073","MoKα","","0.0419","0.0352","","","0.0669","0.0691","","","","","","1.035","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212687","11.7935","0.0006","7.5988","0.0003","7.5838","0.0003","90","","103.138","0.003","90","","661.84","0.05","123","2","123","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H9 Cl F5 N -","- C13 H9 Cl F5 N -","- C26 H18 Cl2 F10 N2 -","2","1","","Albrecht, Markus; Müller, Michael; Valkonen, Arto; Rissanen, Kari","Weak non-covalent interactions control the relative molecular orientation in the crystals of N-pentafluorobenzyl aniline derivatives","CrystEngComm","2010","12","11","3698","","10.1039/c003636f","","","0.71069","MoKα","","0.0404","0.0356","","","0.0746","0.0763","","","","","","1.042","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212688","17.701","0.003","8.7379","0.0014","15.466","0.003","90","","90.585","0.003","90","","2392","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 Br8 Co N10 O10 -","- C44 H24 Br8 Co N10 O10 -","- C88 H48 Br16 Co2 N20 O20 -","2","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0415","0.0318","","","0.0804","0.0844","","","","","","1.048","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212689","7.9351","0.0004","11.3444","0.0005","12.949","0.0006","100.774","0.001","107.342","0.001","101.24","0.001","1053.28","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Br4 N8 Ni O13 -","- C34 H28 Br4 N8 Ni O13 -","- C34 H28 Br4 N8 Ni O13 -","1","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0453","0.0324","","","0.0778","0.0847","","","","","","1.049","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212690","8.1293","0.0009","10.9582","0.0011","11.4728","0.0012","63.567","0.002","76.532","0.002","86.007","0.001","889.33","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Br4 N8 O10 Zn -","- C32 H24 Br4 N8 O10 Zn -","- C32 H24 Br4 N8 O10 Zn -","1","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0257","0.022","","","0.0523","0.0537","","","","","","1.038","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212691","10.891","0.002","12.402","0.003","15.103","0.003","78.95","0.004","71.012","0.004","64.975","0.004","1744.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H19 Ag Br4 N8 O7 -","- C32 H19 Ag Br4 N8 O7 -","- C64 H38 Ag2 Br8 N16 O14 -","2","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0717","0.0377","","","0.0888","0.112","","","","","","1.072","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212692","10.8691","0.0008","12.3897","0.0009","15.1065","0.001","78.961","0.001","71.045","0.001","64.99","0.001","1740.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H18 Br4 Cd N8 O7 -","- C32 H18 Br4 Cd N8 O7 -","- C64 H36 Br8 Cd2 N16 O14 -","2","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0464","0.0278","","","0.0487","0.0603","","","","","","1.06","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212693","8.2722","0.0004","27.6453","0.0011","11.1959","0.0005","90","","93.561","0.001","90","","2555.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Br4 Cu N4 O7 -","- C21 H14 Br4 Cu N4 O7 -","- C84 H56 Br16 Cu4 N16 O28 -","4","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0408","0.0292","","","0.0626","0.0668","","","","","","1.046","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212694","11.398","0.004","12.337","0.004","12.667","0.004","65.774","0.005","75.569","0.005","75.861","0.004","1552.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Br4 N5 O8 Zn -","- C23 H17 Br4 N5 O8 Zn -","- C46 H34 Br8 N10 O16 Zn2 -","2","1","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0823","0.0598","","","0.1677","0.1776","","","","","","0.999","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212695","11.691","0.002","13.201","0.002","16.25","0.003","90","","98.032","0.003","90","","2483.3","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H8 Br4 N4 O5 Pb -","- C20 H8 Br4 N4 O5 Pb -","- C80 H32 Br16 N16 O20 Pb4 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Du, Miao","Structural diversification and metal-directed assembly of coordination architectures based on tetrabromoterephthalic acid and a bent dipyridyl tecton 2,5-bis(4-pyridyl)-1,3,4-oxadiazole","CrystEngComm","2010","12","12","4392","","10.1039/c003738a","","","0.71073","MoKα","","0.0483","0.0385","","","0.0956","0.1016","","","","","","1.041","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212696","31.9495","0.0006","7.3661","0.0002","20.7736","0.0006","90","","125.116","0.001","90","","3999.09","0.18","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H24 N6 O2 S8 -","- C42 H24 N6 O2 S8 -","- C168 H96 N24 O8 S32 -","4","0.5","","Dias, Sandra I. G.; Rabaça, Sandra; Santos, Isabel C.; Wallis, John D.; Almeida, Manuel","A unique co-crystallisation motif for bis(4-pyridyl)acetylene involving S⋯spC interactions with a fused 1,3-dithiole ring","CrystEngComm","2010","12","11","3397","","10.1039/c003838e","","","0.71069","MoKα","","0.0494","0.0356","","","0.0831","0.0889","","","","","","1.027","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212697","9.4756","0.0002","5.6597","0.0001","21.2859","0.0003","90","","96.472","0.001","90","","1134.27","0.04","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-propan-2-one","","- C15 H14 O -","- C15 H14 O -","- C60 H56 O4 -","4","1","","Lima, Carlos F. R. A. C.; Sousa, Carlos A. D.; Rodriguez-Borges, José E; Melo, André; Gomes, Lígia R; Low, John N.; Santos, Luís M N B F","The role of aromatic interactions in the structure and energetics of benzyl ketones.","Physical chemistry chemical physics : PCCP","2010","12","37","11228","11237","10.1039/c003941a","","","0.71073","MoKα","","0.063","0.0432","","","0.1067","0.1189","","","","","","1.015","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212698","8.8041","0.0004","12.5714","0.0005","25.282","0.0011","89.005","0.003","89.757","0.003","86.052","0.003","2791.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H93 Cl5 Cu2 N6 -","- C48 H93 Cl5 Cu2 N6 -","- C96 H186 Cl10 Cu4 N12 -","2","1","","Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg","Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation","Green Chemistry","2010","12","9","1589","","10.1039/c003948a","","","0.71073","MoKα","","0.064","0.0399","","","0.0875","0.0914","","","","","","0.815","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212699","11.7007","0.0014","13.6056","0.0016","21.043","0.003","91.893","0.01","94.239","0.01","100.766","0.01","3278.2","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H112 Cu F6 N8 P -","- C60 H112 Cu F6 N8 P -","- C120 H224 Cu2 F12 N16 P2 -","2","1","","Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg","Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation","Green Chemistry","2010","12","9","1589","","10.1039/c003948a","","","0.71073","MoKα","","0.2179","0.0569","","","0.0795","0.1142","","","","","","0.819","","","","has coordinates,has disorder","180457","2020-10-21","18:00:00",""
"7212700","9.7553","0.0012","13.5795","0.0017","20.6572","0.003","106.873","0.016","94.154","0.016","95.814","0.015","2590.3","0.6","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H168 Cu6 I6 N12 -","- C90 H168 Cu6 I6 N12 -","- C90 H168 Cu6 I6 N12 -","1","0.5","","Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg","Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation","Green Chemistry","2010","12","9","1589","","10.1039/c003948a","","","0.71069","MoKα","","0.0437","0.0309","","","0.0721","0.0787","","","","","","0.88","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212701","10.3068","0.0013","16.172","0.002","25.595","0.004","73.875","0.017","87.515","0.017","87.742","0.017","4092.9","1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H124 Br8 Cu4 N8 -","- C64 H124 Br8 Cu4 N8 -","- C128 H248 Br16 Cu8 N16 -","2","1","","Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg","Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation","Green Chemistry","2010","12","9","1589","","10.1039/c003948a","","x-ray","0.71069","MoKα","","0.2416","0.062","","","0.1339","0.1803","","","","","","0.604","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212702","9.002","0.003","9.454","0.003","20.757","0.006","85.74","0.02","87.75","0.03","78.95","0.03","1728.4","1","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H56 Br2 Cu2 N4 -","- C30 H56 Br2 Cu2 N4 -","- C60 H112 Br4 Cu4 N8 -","2","1","","Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg","Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation","Green Chemistry","2010","12","9","1589","","10.1039/c003948a","","","0.71073","MoKα","","0.1405","0.081","","","0.1996","0.2386","","","","","","0.991","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212703","5.9527","0.0003","13.0441","0.0006","19.5781","0.001","90","","90","","90","","1520.19","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H8 O6 Pb S -","- C14 H8 O6 Pb S -","- C56 H32 O24 Pb4 S4 -","4","0.5","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0292","0.0264","","","0.0747","0.0771","","","","","","1.042","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212704","9.4887","0.0007","7.4979","0.0005","18.1593","0.0012","90","","91.634","0.006","90","","1291.42","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O5 Pb S -","- C10 H10 O5 Pb S -","- C40 H40 O20 Pb4 S4 -","4","1","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0281","0.0247","","","0.0585","0.0603","","","","","","1.062","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212705","10.143","0.002","12.709","0.003","16.795","0.004","90","","107.036","0.004","90","","2070","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Ca O9 Pb S -","- C18 H14 Ca O9 Pb S -","- C72 H56 Ca4 O36 Pb4 S4 -","4","1","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0397","0.0342","","","0.0903","0.0921","","","","","","1.023","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212706","21.118","0.0004","21.118","0.0004","9.4092","0.0003","90","","90","","90","","4196.22","0.17","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C18 H16 Ca O12 Pb -","- C18 H16 Ca O12 Pb -","- C144 H128 Ca8 O96 Pb8 -","8","0.5","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0292","0.029","","","0.0729","0.0733","","","","","","1.047","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212707","9.8108","0.0005","10.4971","0.0004","12.3568","0.0005","68.336","0.008","87.529","0.009","68.261","0.008","1092.09","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 N O10 Pb Sr -","- C18 H7 N O10 Pb Sr -","- C36 H14 N2 O20 Pb2 Sr2 -","2","1","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0495","0.0428","","","0.1106","0.1163","","","","","","1.016","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212708","11.4429","0.0014","23.6717","0.0014","8.166","0.0009","90","","128.596","0.004","90","","1728.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H28 Ca O14 Pb S4 -","- C32 H28 Ca O14 Pb S4 -","- C64 H56 Ca2 O28 Pb2 S8 -","2","0.25","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","A series of novel Pb(ii) or Pb(ii)/M(ii) (M = Ca and Sr) hybrid inorganic‒organic frameworks based on polycarboxylic acids with diverse Pb‒O‒M (M = Pb, Ca and Sr) inorganic connectivities","CrystEngComm","2010","12","12","4252","","10.1039/c004010j","","","0.71073","MoKα","","0.0354","0.035","","","0.0928","0.0934","","","","","","1.097","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212709","5.2357","0.0001","5.4251","0.0001","13.5733","0.0002","87.416","0.001","88.994","0.001","69.431","0.001","360.593","0.011","150","2","150","2","","","","","","","","4","P 1","P 1","1","L-allo-isoleucine:D-leucine","(S,R)-2-amino-3-methylpentanoic acid:R-2-amino-4-methylpentaoic acid","","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","- C12 H26 N2 O4 -","1","1","","Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M.","Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals.","Physical chemistry chemical physics : PCCP","2010","12","30","8466","8477","10.1039/c004055j","","","0.71073","MoKα","","0.048","0.042","","","0.1033","0.1073","","","","","","1.009","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212710","9.8965","0.0001","4.6963","0.0001","16.1188","0.0001","90","","106.989","0.001","90","","716.46","0.018","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-norvaline:D-methionine","S-2-aminopentanoic acid : R-methionine (1:1)","","- C10 H22 N2 O4 S -","- C10 H22 N2 O4 S -","- C20 H44 N4 O8 S2 -","2","1","","Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M.","Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals.","Physical chemistry chemical physics : PCCP","2010","12","30","8466","8477","10.1039/c004055j","","","0.71073","MoKα","","0.0568","0.0413","","","0.1074","0.1163","","","","","","1.053","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212711","5.1725","0.0003","5.3955","0.0003","12.3952","0.0007","92.631","0.002","94.747","0.002","113.103","0.002","315.93","0.03","150","2","150","2","","","","","","","","4","P 1","P 1","1","L-aminobutyric acid:D-norleucine","S-2-aminobutanoic acid : R-2-aminohexanoic acid (1:1)","","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","- C10 H22 N2 O4 -","1","1","","Görbitz, Carl Henrik; Dalhus, Bjørn; Day, Graeme M.","Pseudoracemic amino acid complexes: blind predictions for flexible two-component crystals.","Physical chemistry chemical physics : PCCP","2010","12","30","8466","8477","10.1039/c004055j","","","0.71073","MoKα","","0.0759","0.0552","","","0.1215","0.1354","","","","","","1.104","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212712","21.619","0.008","21.619","0.008","14.104","0.005","90","","90","","120","","5709","4","223","2","223","2","","","","","","","","5","P 6/m m m","-P 6 2","191","Kagome_bpy","","","- C26 H20 N2 O10 Zn2 -","- C26 H16 N2 O8 Zn2 -","- C78 H48 N6 O24 Zn6 -","3","0.125","","Kondo, Mio; Takashima, Yohei; Seo, Joobeom; Kitagawa, Susumu; Furukawa, Shuhei","Control over the nucleation process determines the framework topology of porous coordination polymers","CrystEngComm","2010","12","8","2350","","10.1039/c004066e","","","0.71075","MoKα","","0.0929","0.0852","","","0.2446","0.2555","","","","","","1.148","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212713","16.8676","0.0018","22.335","0.002","40.007","0.004","90","","90","","90","","15072","3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H43 Mo12 N5 O40 P Zn4 -","- C22 H43 Mo12 N5 O40 P Zn4 -","- C176 H344 Mo96 N40 O320 P8 Zn32 -","8","1","","Rodriguez Albelo, L. Marleny; Ruiz-Salvador, A Rabdel; Lewis, Dewi W.; Gómez, Ariel; Mialane, Pierre; Marrot, Jérome; Dolbecq, Anne; Sampieri, Alvaro; Mellot-Draznieks, Caroline","Zeolitic polyoxometalates metal organic frameworks (Z-POMOF) with imidazole ligands and epsilon-Keggin ions as building blocks; computational evaluation of hypothetical polymorphs and a synthesis approach.","Physical chemistry chemical physics : PCCP","2010","12","30","8632","8639","10.1039/c004234j","","","0.71073","MoKα","","0.0504","0.0428","","","0.148","0.1528","","","","","","1.158","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212714","19.652","0.003","19.652","0.003","22.048","0.004","90","","90","","120","","7374","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 O43 Tb4 -","- C30 H62.01 O43 Tb4 -","- C180 H372.06 O258 Tb24 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.0714","0.0585","","","0.1324","0.1408","","","","","","1.052","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212715","19.6388","0.0011","19.6388","0.0011","21.9696","0.0014","90","","90","","120","","7338.1","0.7","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 O43 Yb4 -","- C30 H62.01 O43 Yb4 -","- C180 H372.06 O258 Yb24 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.084","0.0678","","","0.1668","0.1811","","","","","","1.019","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212716","19.4352","0.0018","19.4352","0.0018","22.025","0.002","90","","90","","120","","7204.8","1.1","123","2","123","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H62 Dy4 O43 -","- C30 H62.01 Dy4 O43 -","- C180 H372.06 Dy24 O258 -","6","0.333333","","Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Unique (H2O)14 water cages with cyclic (H2O)4 tetramer unit trapped in 3D porous lanthanide‒cyclohexanetetracarboxylate frameworks","CrystEngComm","2010","12","12","4020","","10.1039/c004258g","","","0.71073","MoKα","","0.0768","0.052","","","0.1111","0.1231","","","","","","0.978","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212717","11.59","0.003","13.984","0.004","20.498","0.006","105.457","0.006","105.167","0.006","91.229","0.007","3075.6","1.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H74 B2 Fe3 N22 O5 -","- C42 H58 B2 Fe3 N20 O2 -","- C84 H116 B4 Fe6 N40 O4 -","2","1","","Mitsumoto, Kiyotaka; Ui, Mayumi; Nihei, Masayuki; Nishikawa, Hiroyuki; Oshio, Hiroki","Single chain magnet of a cyanide bridged FeII/FeIII complex","CrystEngComm","2010","12","10","2697","","10.1039/c004351f","","","0.71073","MoKα","","0.154","0.0908","","","0.2177","0.2433","","","","","","0.909","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212718","7.4451","0.0004","5.9568","0.0003","24.7267","0.0013","90","","96.319","0.001","90","","1089.94","0.1","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","6-hydroxy-2-naphthoic acid 1,4-dioxane solvate","","- C13 H8 O4 -","- C13 H8 O4 -","- C52 H32 O16 -","4","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0656","0.0565","","","0.1781","0.1899","","","","","","1.084","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212719","9.4013","0.001","10.0069","0.0011","12.2414","0.0013","95.15","0.002","109.037","0.002","90.332","0.002","1083.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","6-hydroxy-2-naphthoic acid dimethyl sulphoxide solvate","","- C24 H14 O7 S -","- C24 H14 O7 S -","- C48 H28 O14 S2 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0932","0.0685","","","0.1843","0.2046","","","","","","1.041","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212720","9.188","0.0018","10.003","0.002","35.207","0.007","90","","91.23","0.03","90","","3235","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-hydroxy-2-naphthoic acid 1,4-diazabicyclo[2.2.2]octane salt","","- C17 H23 N2 O4.5 -","- C17 H23 N2 O4.5 -","- C136 H184 N16 O36 -","8","2","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0757","0.0551","","","0.1526","0.1671","","","","","","1.044","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212721","10.768","0.002","24.064","0.005","9.5656","0.0019","90","","100.12","0.03","90","","2440.1","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-hydroxy-2-naphthoic acid 1,4-diazabicyclo[2.2.2]octane salt","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C112 H112 N8 O24 -","4","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.0531","0.0418","","","0.1094","0.118","","","","","","1.029","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212722","8.6982","0.0017","11.373","0.002","11.82","0.002","85.52","0.03","81.69","0.03","87.04","0.03","1152.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","2C11H8O3.C6H12N2","3-hydroxy-2-naphthoic acid 1,4-diazabicyclo[2.2.2]octane salt","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C56 H56 N4 O12 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Ramon, Gaëlle; Sebogisi, Baganetsi K.","Inclusion compounds of hydroxynaphthoic acids: co-crystal vs. salt formation","CrystEngComm","2010","12","10","3065","","10.1039/c004458j","","","0.71073","MoKα","","0.1777","0.0739","","","0.1195","0.1587","","","","","","1.031","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212723","11.469","0.002","11.969","0.002","13.097","0.003","94.36","0.03","102.67","0.03","95.74","0.03","1736.4","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H26 Br2 Cl Cu N7 S2 -","- C29 H26 Br2 Cl Cu N7 S2 -","- C58 H52 Br4 Cl2 Cu2 N14 S4 -","2","1","","Costa, José Sánchez; Castro, Adriana Gonzalez; Pievo, Roberta; Roubeau, Olivier; Modec, Barbara; Kozlevčar, Bojan; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Proficiency of the electron-deficient 1,3,5-triazine ring to generate anion‒π and lone pair‒π interactions","CrystEngComm","2010","12","10","3057","","10.1039/c004478d","","","0.71073","MoKα","","0.0739","0.0423","","","0.0988","0.1084","","","","","","0.959","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212724","8.3369","0.0007","13.57","0.0011","28.493","0.002","90","","90","","90","","3223.5","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl Cu N9 O6 S2 -","- C29 H26 Cl Cu N9 O6 S2 -","- C116 H104 Cl4 Cu4 N36 O24 S8 -","4","1","","Costa, José Sánchez; Castro, Adriana Gonzalez; Pievo, Roberta; Roubeau, Olivier; Modec, Barbara; Kozlevčar, Bojan; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Proficiency of the electron-deficient 1,3,5-triazine ring to generate anion‒π and lone pair‒π interactions","CrystEngComm","2010","12","10","3057","","10.1039/c004478d","","","0.7749","synchrotron","","0.0862","0.0771","","","0.1818","0.1853","","","","","","1.229","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212725","27.4547","0.0019","11.8188","0.0007","25.088","0.002","90","","103.849","0.002","90","","7903.9","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H78 Cu2 N24 O19 S6 -","- C60 H76 Cu2 N24 O19 S6 -","- C240 H304 Cu8 N96 O76 S24 -","4","0.5","","Costa, José Sánchez; Castro, Adriana Gonzalez; Pievo, Roberta; Roubeau, Olivier; Modec, Barbara; Kozlevčar, Bojan; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Proficiency of the electron-deficient 1,3,5-triazine ring to generate anion‒π and lone pair‒π interactions","CrystEngComm","2010","12","10","3057","","10.1039/c004478d","","","0.6911","synchrotron","","0.1051","0.0588","","","0.1637","0.184","","","","","","0.965","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212726","7.6928","0.0015","8.8062","0.0018","11.575","0.002","93.04","0.03","108.7","0.03","91.72","0.03","740.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Form I cocrystal of ethenzamide with ethylmalonic acid","Form I cocrystal of ethenzamide with ethylmalonic acid","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C28 H38 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational and enantiotropic polymorphism of a 1 : 1 cocrystal involving ethenzamide and ethylmalonic acid","CrystEngComm","2010","12","11","3691","","10.1039/c004491a","","","0.71073","MoKα","","0.0478","0.0458","","","0.118","0.1199","","","","","","1.117","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212727","14.501","0.003","7.6438","0.0015","14.323","0.003","90","","108.45","0.03","90","","1506","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form II of ethenzamide and ethylmalonic acid cocrystal","Form II of ethenzamide and ethylmalonic acid cocrystal","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational and enantiotropic polymorphism of a 1 : 1 cocrystal involving ethenzamide and ethylmalonic acid","CrystEngComm","2010","12","11","3691","","10.1039/c004491a","","","0.71073","MoKα","","0.1071","0.0962","","","0.2261","0.2345","","","","","","1.286","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212728","14.463","0.003","7.6366","0.0015","14.296","0.003","90","","108.42","0.03","90","","1498.1","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form II cocrystal of 1:1 ethenzamide and ethylmalonic acid cocrystal","Form II of ethenzamide and ethylmalonic acid cocrystal","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational and enantiotropic polymorphism of a 1 : 1 cocrystal involving ethenzamide and ethylmalonic acid","CrystEngComm","2010","12","11","3691","","10.1039/c004491a","","","0.71073","MoKα","","0.0688","0.0611","","","0.1403","0.1456","","","","","","1.157","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212729","23.717","0.006","23.717","0.006","22.033","0.008","90","","90","","120","","10733","5","273","2","273","2","","","","","","","","8","P 6/m c c","-P 6 2c","192","","","","- C54 H24 Cu3 N6 O50 S12 V3.96 W8.04 -","- C54 H24 Cu3 N6 O50 S12 V3.96 W8.04 -","- C108 H48 Cu6 N12 O100 S24 V7.92 W16.08 -","2","0.0833333","","Wang, Chunling; Ren, Yuanhang; Du, Chengbo; Yue, Bin; Kong, Zuping; Weng, Linhong; He, Heyong","Honeycomb nanoscale-porous material constructed from copper complexes and mixed-addenda Lindqvist-type polyoxoanions","CrystEngComm","2010","12","11","3522","","10.1039/c004543h","","","0.71073","MoKα","","0.1766","0.0728","","","0.2401","0.3215","","","","","","0.919","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212730","26.172","0.005","15.846","0.003","20.566","0.007","90","","110.119","0.002","90","","8009","3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C40 H0 Ag4 N16 O40 Si W12 -","- C40 Ag4 N16 O40 Si W12 -","- C160 Ag16 N64 O160 Si4 W48 -","4","1","","Xie, Yi-Ming; Yu, Rong-Ming; Wu, Xiao-Yuan; Wang, Fei; Chen, Shan-Ci; Lu, Can-Zhong","A new IR non-linear optical material with 2D 3-fold interpenetrated topology","CrystEngComm","2010","12","11","3490","","10.1039/c004554c","","","0.71073","MoKα","","0.0489","0.0451","","","0.1113","0.1142","","","","","","1.067","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212731","9.2376","0.001","14.5788","0.0016","14.9383","0.0017","66.775","0.002","74.994","0.002","74.785","0.002","1756.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,3-dibenzyl-3-hydroxyisoindolin-1-one","2,3-dibenzyl-3-hydroxyisoindolin-1-one","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","2","","Zhou, Yu; Zhai, Yun; Li, Jian; Ye, Deju; Jiang, Hualiang; Liu, Hong","Metal-free tandem reaction in water: An efficient and regioselective synthesis of 3-hydroxyisoindolin-1-ones","Green Chemistry","2010","12","8","1397","","10.1039/c004745g","","","0.71073","MoKα","","0.122","0.0516","","","0.0884","0.1038","","","","","","0.844","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212732","13.8004","0.0008","11.5529","0.0006","9.8253","0.0006","90","","93.005","0.001","90","","1564.34","0.15","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 B Bi F4 O S -","- C14 H14 B Bi F4 O S -","- C56 H56 B4 Bi4 F16 O4 S4 -","4","1","","Qiu, Renhua; Qiu, Yimiao; Yin, Shuangfeng; Song, Xingxing; Meng, Zhengong; Xu, Xinhua; Zhang, Xiaowen; Luo, Shenglian; Au, Chak-Tong; Wong, Wai-Yeung","Facile separation catalyst system: direct diastereoselective synthesis of (E)-α,β-unsaturated ketones catalyzed by an air-stable Lewis acidic/basic bifunctional organobismuth complex in ionic liquids","Green Chemistry","2010","12","10","1767","","10.1039/c004940a","","","0.71073","MoKα","","0.0399","0.039","","","0.1081","0.1089","","","","","","1.047","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212733","9.6852","0.0019","10.65","0.002","12.977","0.003","112.61","0.03","90.52","0.03","104.61","0.03","1187.3","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 O6 Zn -","- C28 H22 N2 O6 Zn -","- C56 H44 N4 O12 Zn2 -","2","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.0547","0.042","","","0.0832","0.0894","","","","","","1.017","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212734","15.026","0.003","14.484","0.003","12.991","0.003","90","","115.46","0.03","90","","2552.7","1.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 N2 O6 Zn -","- C29 H20 N2 O6 Zn -","- C116 H80 N8 O24 Zn4 -","4","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.0665","0.054","","","0.1073","0.1135","","","","","","1.123","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212735","33.118","0.007","9.5908","0.0019","16.897","0.003","90","","113.47","0.03","90","","4923","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 N3 O7 Zn -","- C28 H21 N3 O7 Zn -","- C224 H168 N24 O56 Zn8 -","8","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.0891","0.0694","","","0.1416","0.1499","","","","","","1.186","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212736","29.578","0.006","9.6718","0.0019","18.389","0.004","90","","111.71","0.03","90","","4887","2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 N2 O4 Zn -","- C29 H22 N2 O4 Zn -","- C232 H176 N16 O32 Zn8 -","8","1","","Liu, Dong; Li, Hong-Xi; Liu, Lei-Lei; Wang, He-Ming; Li, Ni-Ya; Ren, Zhi-Gang; Lang, Jian-Ping","How do substituent groups in the 5-position of 1,3-benzenedicarboxylate affect the construction of supramolecular frameworks?","CrystEngComm","2010","12","11","3708","","10.1039/c005322h","","","0.71073","MoKα","","0.1339","0.0866","","","0.2053","0.2396","","","","","","1.102","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212737","11.5674","0.0013","11.8696","0.0013","13.9863","0.0016","106.21","0.01","102.5","0.01","94.14","0.01","1782.2","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","1-(4-Biphenylethynyl)-4-(4-(2-cyanoethylsulfanyl) phenyl)ethynyl-2,5-dihexyloxybenzene","1-(4-Biphenylethynyl)-4-[4-(2-cyanoethylsulfanyl) phenyl]ethynyl-2,5-dihexyloxybenzene","","- C43 H45 N O2 S -","- C43 H45 N O2 S -","- C86 H90 N2 O4 S2 -","2","1","","Aguiar, Francisco A.; Campos, Rui; Wang, Changsheng; Jitchati, Rukkiat; Batsanov, Andrei S.; Bryce, Martin R.; Kataky, Ritu","Comparative electrochemical and impedance studies of self-assembled rigid-rod molecular wires and alkanethiols on gold substrates.","Physical chemistry chemical physics : PCCP","2010","12","44","14804","14811","10.1039/c005402j","","","0.71073","MoKα","","0.0497","0.0415","","","0.1169","0.1221","","","","","","1.047","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212738","13.3285","0.002","18.0188","0.0012","17.3305","0.0012","90","","90","","90","","4162.2","0.7","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C12 H4 Au N4 Na O4 S6 -","- C12 H4 Au N4 Na O4 S6 -","- C96 H32 Au8 N32 Na8 O32 S48 -","8","1","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0757","0.032","","","0.0743","0.0818","","","","","","0.99","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212739","7.4087","0.0005","9.1583","0.0006","10.1717","0.0007","63.777","0.001","76.735","0.001","86.033","0.001","602.2","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Au N4 Na O4 S6 -","- C16 H20 Au N4 Na O4 S6 -","- C16 H20 Au N4 Na O4 S6 -","1","0.5","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0155","0.0155","","","0.0401","0.0401","","","","","","1.125","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212740","8.4687","0.0007","8.6531","0.0007","9.2081","0.0007","106.467","0.001","95.289","0.001","98.941","0.001","632.59","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H18 Au N6 Na O2 S6 -","- C18 H18 Au N6 Na O2 S6 -","- C18 H18 Au N6 Na O2 S6 -","1","0.5","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0172","0.0172","","","0.0434","0.0434","","","","","","1.073","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212741","12.9803","0.0014","10.1794","0.0011","8.4481","0.0009","90","","102.981","0.002","90","","1087.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Au N6 Na S6 -","- C16 H10 Au N6 Na S6 -","- C32 H20 Au2 N12 Na2 S12 -","2","0.5","","Bolligarla, Ramababu; Das, Samar K.","Dimensionality of coordination polymers decided by the type of hybridization of the central carbon atom of the solvent molecule that coordinates to an alkali metal cation: from discrete to 3D networks based on a gold(iii) bis(dithiolene) complex","CrystEngComm","2010","12","11","3409","","10.1039/c0ce00097c","","","0.71073","MoKα","","0.0248","0.0218","","","0.046","0.0471","","","","","","1.069","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212742","12.502","0.003","20.211","0.004","9.1833","0.0018","90","","112.49","0.03","90","","2143.9","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 Ag2 N6 O5 -","- C16 H23 Ag2 N6 O5 -","- C64 H92 Ag8 N24 O20 -","4","0.5","","Sun, Di; Xu, Qin-Juan; Ma, Chun-Yin; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Self-assembly, thermal stability and photoluminescence of two mixed-ligand silver(i) networks via 2D →2D and 2D →3D parallel interpenetration of (4,4) nets","CrystEngComm","2010","12","12","4161","","10.1039/c0ce00017e","","","0.71073","MoKα","","0.0973","0.0593","","","0.1264","0.1417","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212743","11.699","0.002","11.427","0.002","18.68","0.004","90","","108.18","0.03","90","","2372.6","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Ag2 N6 O6 -","- C20 H26 Ag2 N6 O6 -","- C80 H104 Ag8 N24 O24 -","4","1","","Sun, Di; Xu, Qin-Juan; Ma, Chun-Yin; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Self-assembly, thermal stability and photoluminescence of two mixed-ligand silver(i) networks via 2D →2D and 2D →3D parallel interpenetration of (4,4) nets","CrystEngComm","2010","12","12","4161","","10.1039/c0ce00017e","","","0.71073","MoKα","","0.0555","0.0353","","","0.0778","0.0858","","","","","","0.999","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212744","9.2609","0.0002","11.1853","0.0003","11.6126","0.0003","61.935","0.001","89.574","0.001","88.945","0.002","1061.28","0.05","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C21 H21 As I2 -","- C21 H21 As I2 -","- C42 H42 As2 I4 -","2","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.097","0.0673","","","0.1538","0.1791","","","","","","1.143","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212745","11.0385","0.0006","13.8805","0.0008","13.4773","0.0009","90","","90","","90","","2065","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 I2 P -","- C21 H21 I2 P -","- C84 H84 I8 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.0799","0.0597","","","0.1512","0.1708","","","","","","1.129","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212746","11.619","0.0003","12.2125","0.0003","18.4827","0.0005","90","","126.564","0.001","90","","2106.48","0.1","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 As I2 -","- C21 H21 As I2 -","- C84 H84 As4 I8 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.121","0.0809","","","0.2018","0.238","","","","","","1.186","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212747","11.4271","0.0004","12.1665","0.0005","18.3475","0.0007","90","","126.422","0.002","90","","2052.55","0.15","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 I2 P -","- C21 H21 I2 P -","- C84 H84 I8 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.1287","0.074","","","0.146","0.1832","","","","","","1.193","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212748","13.8475","0.0002","19.8474","0.0002","27.5","0.0004","90","","90","","90","","7558.01","0.17","100","2","100","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C21 H21 As Au Cl -","- C21 H21 As Au Cl -","- C336 H336 As16 Au16 Cl16 -","16","2","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.1032","0.0674","","","0.1647","0.1894","","","","","","1.206","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212749","17.5637","0.0005","23.2693","0.0006","17.8248","0.0004","90","","91.029","0.002","90","","7283.7","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 Co F12 N10 O6 P2 -","- C64 H70 Co F12 N10 O6 P2 -","- C256 H280 Co4 F48 N40 O24 P8 -","4","1","","Scicluna, Todd R.; Fraser, Benjamin H.; Gorham, Nicole T.; MacLellan, Jonathan G.; Massi, Massimiliano; Skelton, Brian W.; St Pierre, Timothy G.; Woodward, Robert C.","Di[2,6-bis(5-phenylpyrazol-3-yl)pyridine]Co(II): an old coordination mode for a novel supramolecular assembly","CrystEngComm","2010","12","11","3422","","10.1039/c0ce00036a","","","0.71073","MoKα","","0.2357","0.0695","","","0.1772","0.2158","","","","","","0.796","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212750","26.0796","0.0003","26.0796","0.0003","17.9843","0.0005","90","","90","","90","","12231.9","0.4","123","2","123","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C140 H106 Cl4 Co F12 N30 P2 -","- C140 H106 Cl4 Co F12 N30 P2 -","- C560 H424 Cl16 Co4 F48 N120 P8 -","4","0.25","","Scicluna, Todd R.; Fraser, Benjamin H.; Gorham, Nicole T.; MacLellan, Jonathan G.; Massi, Massimiliano; Skelton, Brian W.; St Pierre, Timothy G.; Woodward, Robert C.","Di[2,6-bis(5-phenylpyrazol-3-yl)pyridine]Co(II): an old coordination mode for a novel supramolecular assembly","CrystEngComm","2010","12","11","3422","","10.1039/c0ce00036a","","","0.71073","MoKα","","0.151","0.0869","","","0.2372","0.2916","","","","","","1.039","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212751","13.7595","0.0006","14.2594","0.0006","10.4876","0.0004","90","","115.367","0.001","90","","1859.29","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Salicylaldehyde thiosemicarbazone 0.17hydrate; (E)-2-(2- hydroxybenzylidene)hydrazinecarbothioamide 0.17hydrate","Salicylaldehyde thiosemicarbazone 0.17hydrate; (E)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide 0.17hydrate","","- C8 H9.34 N3 O1.17 S -","- C8 H9.34 N3 O1.17 S -","- C64 H74.72 N24 O9.36 S8 -","8","1","","Monfared, Hassan Hosseini; Chamayou, Anne-Christine; Khajeh, Soliman; Janiak, Christoph","Can a small amount of crystal solvent be overlooked or have no structural effect? Isomorphous non-stoichiometric hydrates (pseudo-polymorphs): the case of salicylaldehyde thiosemicarbazone","CrystEngComm","2010","12","11","3526","","10.1039/c0ce00041h","","","0.71073","MoKα","","0.0385","0.0341","","","0.0857","0.0888","","","","","","1.066","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212752","13.9737","0.0004","14.2331","0.0004","10.4655","0.0002","90","","115.781","0.002","90","","1874.29","0.09","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Salicylaldehyde thiosemicarbazone 0.17hydrate; (E)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide 0.095hydrate","","- C8 H9.19 N3 O1.1 S -","- C8 H9.19 N3 O1.095 S -","- C64 H73.52 N24 O8.76 S8 -","8","1","","Monfared, Hassan Hosseini; Chamayou, Anne-Christine; Khajeh, Soliman; Janiak, Christoph","Can a small amount of crystal solvent be overlooked or have no structural effect? Isomorphous non-stoichiometric hydrates (pseudo-polymorphs): the case of salicylaldehyde thiosemicarbazone","CrystEngComm","2010","12","11","3526","","10.1039/c0ce00041h","","","0.71073","MoKα","","0.0568","0.0391","","","0.0932","0.1028","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212753","13.8383","0.0016","14.3405","0.0017","10.5113","0.0012","90","","114.986","0.004","90","","1890.7","0.4","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Salicylaldehyde thiosemicarbazone 0.20hydrate; (E)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide 0.20hydrate","","- C8 H9.4 N3 O1.2 S -","- C8 H9.4 N3 O1.2 S -","- C64 H75.2 N24 O9.6 S8 -","8","1","","Monfared, Hassan Hosseini; Chamayou, Anne-Christine; Khajeh, Soliman; Janiak, Christoph","Can a small amount of crystal solvent be overlooked or have no structural effect? Isomorphous non-stoichiometric hydrates (pseudo-polymorphs): the case of salicylaldehyde thiosemicarbazone","CrystEngComm","2010","12","11","3526","","10.1039/c0ce00041h","","","0.71073","MoKα","","0.0556","0.0434","","","0.1109","0.1198","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212754","6.6153","0.0014","7.9832","0.0017","11.143","0.003","90","","99.763","0.005","90","","580","0.2","120","2","120","2","","","","","","","","5","P 1 n 1","P -2yac","7","","AR-1g-3 2-aminopyridine, 4-chlorobenzoic acid","","- C12 H11 Cl N2 O2 -","- C12 H11 Cl N2 O2 -","- C24 H22 Cl2 N4 O4 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0322","0.0297","","","0.0771","0.079","","","","","","1.087","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212755","8.2382","0.0006","7.3603","0.0005","17.7902","0.0011","90","","102.979","0.003","90","","1051.16","0.12","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","AR-1g-15 2-aminopyridine, HOOC-(CH2)8-COOH","","- C20 H30 N4 O4 -","- C20 H30 N4 O4 -","- C40 H60 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0474","0.04","","","0.11","0.1159","","","","","","1.091","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212756","12.3903","0.0008","5.6871","0.0003","18.029","0.0011","90","","90","","90","","1270.41","0.13","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","AR-cc-1a-1 2-amino-5-bromopyridine, 4-NC-PhCOOH","","- C13 H10 Br N3 O2 -","- C13 H10 Br N3 O2 -","- C52 H40 Br4 N12 O8 -","4","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0409","0.0331","","","0.0735","0.0756","","","","","","0.991","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212757","7.9727","0.0005","6.2956","0.0004","24.6286","0.0015","90","","90.58","0.004","90","","1236.12","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ARcc-1a-aa5 2-amino-5-bromopyridine, 4-nitrobenzoic acid","","- C12 H10 Br N3 O4 -","- C12 H10 Br N3 O4 -","- C48 H40 Br4 N12 O16 -","4","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0562","0.0478","","","0.1243","0.1281","","","","","","1.198","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212758","3.9019","0.0002","12.5454","0.0008","16.926","0.001","73.128","0.003","86.428","0.003","85.881","0.003","790.08","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","ARcc-1c-aa6 N-(5-bromo-2-pyridyl)propionamide, 3,4-Cl2-PhCOOH","","- C15 H13 Br Cl2 N2 O3 -","- C15 H13 Br Cl2 N2 O3 -","- C30 H26 Br2 Cl4 N4 O6 -","2","1","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0295","0.025","","","0.0652","0.0674","","","","","","1.037","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212759","5.3172","0.0002","8.6548","0.0003","14.9927","0.0006","101.97","0.002","93.037","0.002","100.816","0.002","659.92","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(N-5-bromo-2-pyridyl)-propionamide)2, octanedioic acid","","- C24 H32 Br2 N4 O6 -","- C24 H32 Br2 N4 O6 -","- C24 H32 Br2 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0283","0.023","","","0.0543","0.0567","","","","","","1.001","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212760","4.8333","0.0003","9.5923","0.0005","23.7901","0.0012","90","","90.961","0.002","90","","1102.81","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","AR-1c-aa13 [N-(5-bromo-2-pyridyl)propionamide]2, fumaric acid","","- C20 H22 Br2 N4 O6 -","- C20 H22 Br2 N4 O6 -","- C40 H44 Br4 N8 O12 -","2","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0423","0.0296","","","0.0628","0.0669","","","","","","1.037","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212761","13.8624","0.0015","13.9754","0.0016","24.726","0.003","95.707","0.008","90.355","0.007","101.437","0.007","4670.2","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","AR-1c-aa-14 N-(5-bromo-2-pyridyl)-propionamide, succinic acid","","- C20 H24 Br2 N4 O6 -","- C20 H24 Br2 N4 O6 -","- C160 H192 Br16 N32 O48 -","8","4","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.3711","0.1567","","","0.3532","0.448","","","","","","1.164","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212762","5.1849","0.0004","11.4665","0.0008","12.487","0.0009","71.293","0.002","81.204","0.002","88.593","0.002","694.66","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","AR-BI-C4 N-(5-bromo-2-pyridyl)propionamide, HOOC-(CH2)8-COOH","","- C26 H36 Br2 N4 O6 -","- C26 H36 Br2 N4 O6 -","- C26 H36 Br2 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0426","0.0313","","","0.0708","0.0758","","","","","","0.985","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212763","7.3849","0.0005","31.34","0.002","13.3082","0.0009","90","","90.344","0.003","90","","3080","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AR-1i-9 2-amino-3,5-dibromopyridine, 3,5-dinitrobenzoic acid","","- C12 H8 Br2 N4 O6 -","- C12 H8 Br2 N4 O6 -","- C96 H64 Br16 N32 O48 -","8","2","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0556","0.0364","","","0.0866","0.0928","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212764","14.0298","0.001","3.8527","0.0003","17.5918","0.0013","90","","102.337","0.003","90","","928.92","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","AR-1i-13 2-amino-3,5-dibromopyridine, fumaric acid","","- C14 H12 Br4 N4 O4 -","- C14 H12 Br4 N4 O4 -","- C28 H24 Br8 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0268","0.0211","","","0.0501","0.0521","","","","","","1.017","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212765","4.9878","0.0003","9.9931","0.0007","11.4625","0.0008","113.25","0.005","92.103","0.005","93.352","0.005","522.92","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(N-5-bromo-2-pyridyl)-acetamide)2, fumaric acid","","- C18 H20 Br2 N4 O6 -","- C18 H20 Br2 N4 O6 -","- C18 H20 Br2 N4 O6 -","1","0.5","","Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John","Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation","CrystEngComm","2010","12","12","4231","","10.1039/c0ce00052c","","","0.71073","MoKα","","0.0784","0.0414","","","0.084","0.0973","","","","","","0.978","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212766","9.0752","0.0005","9.0752","0.0005","27.014","0.003","90","","90","","90","","2224.9","0.3","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C23 H20 Cd N6 O6 -","- C23 H16 Cd N6 O6 -","- C92 H64 Cd4 N24 O24 -","4","1","","Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin","Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands","CrystEngComm","2010","12","7","2040","","10.1039/c0ce00054j","","","0.71073","MoKα","","0.0417","0.0389","","","0.0897","0.0914","","","","","","0.959","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212767","9.0723","0.001","9.0723","0.001","27.01","0.004","90","","90","","90","","2223.1","0.5","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C23 H20 Cd N6 O6 -","- C23 H16 Cd N6 O6 -","- C92 H64 Cd4 N24 O24 -","4","1","","Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin","Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands","CrystEngComm","2010","12","7","2040","","10.1039/c0ce00054j","","","0.71073","MoKα","","0.0321","0.031","","","0.0665","0.067","","","","","","1.083","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212768","9.0071","0.0009","11.7465","0.0011","16.1238","0.0015","83.866","0.002","74.062","0.004","69.246","0.002","1533.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 Cd2 N6 O11 -","- C31 H20 Cd2 N6 O11 -","- C62 H40 Cd4 N12 O22 -","2","1","","Su, Zhi; Chen, Man-Sheng; Fan, Jian; Chen, Min; Chen, Shui-Sheng; Luo, Li; Sun, Wei-Yin","Spontaneous resolution of two homochiral ferroelectric cadmium(ii) frameworks and an achiral framework from a one-pot reaction involving achiral rigid ligands","CrystEngComm","2010","12","7","2040","","10.1039/c0ce00054j","","","0.71073","MoKα","","0.0447","0.0369","","","0.0927","0.1025","","","","","","1.072","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212769","17.034","0.003","3.893","0.0006","7.3497","0.0011","90","","90","","90","","487.38","0.14","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C14 H8 O3 -","- C14 H8 O3 -","- C28 H16 O6 -","2","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.0418","0.0373","","","0.086","0.0877","","","","","","1.007","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212770","4.0648","0.0004","15.6753","0.0014","21.9435","0.0019","90","","90","","90","","1398.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C80 H52 N4 O8 -","4","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.0439","0.0364","","","0.0751","0.0765","","","","","","0.924","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212771","3.9147","0.0007","22.823","0.004","15.634","0.003","90","","90","","90","","1396.8","0.4","100","2","100","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C19 H12 N2 O2 -","- C19 H12 N2 O2 -","- C76 H48 N8 O8 -","4","0.5","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.1492","0.133","","","0.2422","0.2483","","","","","","1.278","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212772","15.071","0.017","15.071","0.017","28.95","0.04","90","","90","","120","","5695","12","100","","100","","","","","","","","","2","P 61","P 61","169","","","","- C48 H42 -","- C48 H42 -","- C288 H252 -","6","1","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.1078","0.0615","","","0.1447","0.1885","","","","","","1.166","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212773","11.9511","0.0013","24.458","0.003","13.2818","0.0014","90","","113.4","0.001","90","","3563","0.7","150","","150","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 -","- C48 H42 -","- C192 H168 -","4","1","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.1139","0.0547","","","0.1388","0.1742","","","","","","1.009","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212774","14.762","0.009","15.1","0.009","22.115","0.013","77.181","0.012","74.946","0.011","62.186","0.009","4181","4","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C54 H56 -","- C54 H56 -","- C216 H224 -","4","2","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.2878","0.0849","","","0.1836","0.2262","","","","","","0.802","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212775","11.385","0.003","14.405","0.004","14.984","0.004","115.121","0.004","95.522","0.004","109.93","0.004","2006.2","0.9","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H50 O2 -","- C52 H50 O2 -","- C104 H100 O4 -","2","1","","Tohaya, Taichi; Katagiri, Kosuke; Katoh, Junya; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Polymorphism or pseudopolymorphism of a macrocyclic compound: helical structure, layered structure and pseudorotaxane constructed by weak intermolecular interactions","CrystEngComm","2010","12","11","3493","","10.1039/c0ce00058b","","","0.71073","MoKα","","0.1252","0.0831","","","0.2373","0.2665","","","","","","1.069","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212776","22.9885","0.0013","22.9885","0.0013","21.3679","0.0014","90","","90","","120","","9779.4","1","173","2","173","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- H150 K12 O239 P6 Rb6 V8 W39 -","- K11.982 O203 P6 Rb6 V8 W39 -","- K23.964 O406 P12 Rb12 V16 W78 -","2","0.166667","","Assran, Awatef S.; Izarova, Natalya V.; Kortz, Ulrich","Mixed-valent vanadium substituted polyoxometalates: the wheel shaped [Rb3⊂{VVVIV3O7(H2O)6}2{H6P6W39O147(H2O)3}]15−","CrystEngComm","2010","12","10","2684","","10.1039/c0ce00068j","","","0.71073","MoKα","","0.0574","0.045","","","0.105","0.1128","","","","","","1.104","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212777","14.043","0.003","18.608","0.005","24.308","0.006","90","","100.143","0.017","90","","6253","3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H29 Ba2 F24 N14 O9 -","- C49 H25 Ba2 F24 N14 O9 -","- C196 H100 Ba8 F96 N56 O36 -","4","1","","Pointillart, Fabrice; Boubekeur, Kamal; Herson, Patrick; Train, Cyrille","Barium one-dimensional coordination polymers from barium β-diketonates and 2,2′-bipyrimidine derivatives","CrystEngComm","2010","12","11","3430","","10.1039/c0ce00076k","","","0.71073","MoKα","","0.0879","0.0487","","0.0898","0.0529","0.0529","","","","","","1.0408","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212778","11.9876","0.0011","12.0698","0.0007","12.3219","0.0007","66.622","0.008","86.49","0.006","77.145","0.009","1594.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H14 Ba F12 N8 O4 -","- C26 H14 Ba F12 N8 O4 -","- C52 H28 Ba2 F24 N16 O8 -","2","1","","Pointillart, Fabrice; Boubekeur, Kamal; Herson, Patrick; Train, Cyrille","Barium one-dimensional coordination polymers from barium β-diketonates and 2,2′-bipyrimidine derivatives","CrystEngComm","2010","12","11","3430","","10.1039/c0ce00076k","","","0.71073","MoKα","","0.1062","0.0694","","0.1091","0.0777","0.0777","","","","","","1.0595","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212779","11.739","0.001","13.346","0.0009","19.504","0.0017","81.75","0.005","85.689","0.006","72.637","0.005","2884.6","0.4","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Ba F12 N4 O4 -","- C22 H16 Ba F12 N4 O4 -","- C88 H64 Ba4 F48 N16 O16 -","4","2","","Pointillart, Fabrice; Boubekeur, Kamal; Herson, Patrick; Train, Cyrille","Barium one-dimensional coordination polymers from barium β-diketonates and 2,2′-bipyrimidine derivatives","CrystEngComm","2010","12","11","3430","","10.1039/c0ce00076k","","","0.71073","MoKα","","0.1263","0.0467","","","0.1065","0.1297","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212780","15.015","0.003","23.777","0.005","16.319","0.003","90","","92.23","0.03","90","","5822","2","291","2","291","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 K2 Na7 O50 Ru S3 V2 W7 -","- C6 H18 K2 Na5.5 O50 Ru S3 V2 W7 -","- C24 H72 K8 Na22 O200 Ru4 S12 V8 W28 -","4","1","","Bi, Li-Hua; Wang, Bin; Hou, Guang-Feng; Li, Bao; Wu, Li-Xin","A novel heptatungstovanadate fragment stabilized by organo-ruthenium group: [HVW7O28Ru(dmso)3]6−","CrystEngComm","2010","12","11","3511","","10.1039/c0ce00087f","","","0.71073","MoKα","","0.0537","0.0471","","","0.1059","0.1084","","","","","","1.105","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212781","8.5968","0.0008","9.756","0.0009","23.391","0.002","90","","90","","90","","1961.8","0.3","293","1","293","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","TADDOL FORM A","TADDOL FORM A","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Prasad, Kavirayani R.; Chandrakumar, Appayee; Dikundwar, Amol G.; Guru Row, T. N.","Polymorphism in a TADDOL analogue induced by the presence of a chiral impurity","CrystEngComm","2010","12","11","3452","","10.1039/c0ce00103a","","x-ray","0.71073","MoKα","","0.0664","0.0526","","","0.1068","0.1115","","","","","","1.15","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212782","10.882","0.002","7.4911","0.0015","12.618","0.003","90","","110.599","0.003","90","","962.8","0.3","293","1","293","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","TADDOL FORM B","TADDOL FORM B","","- C21 H26 O4 -","- C21 H26 O4 -","- C42 H52 O8 -","2","1","","Prasad, Kavirayani R.; Chandrakumar, Appayee; Dikundwar, Amol G.; Guru Row, T. N.","Polymorphism in a TADDOL analogue induced by the presence of a chiral impurity","CrystEngComm","2010","12","11","3452","","10.1039/c0ce00103a","","x-ray","0.71073","MoKα","","0.0398","0.0342","","","0.0784","0.0815","","","","","","1.057","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212783","14.626","0.003","17.129","0.003","9.684","0.0019","90","","90","","90","","2426.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C8 H62 Mo6 N8 O40 P4 -","- C8 H38 Mo6 N8 O40 P4 -","- C16 H76 Mo12 N16 O80 P8 -","2","0.5","","Tan, Hua-Qiao; Chen, Wei-Lin; Liu, Ding; Li, Yang-Guang; Wang, En-Bo","Spontaneous resolution of a new diphosphonate-functionalized polyoxomolybdate","CrystEngComm","2010","12","12","4017","","10.1039/c0ce00104j","","","0.71073","MoKα","","0.0555","0.0459","","","0.1117","0.1175","","","","","","0.996","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212784","14.615","0.003","17.148","0.003","9.6756","0.0019","90","","90","","90","","2424.9","0.8","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C8 H62 Mo6 N8 O40 P4 -","- C8 H38 Mo6 N8 O40 P4 -","- C16 H76 Mo12 N16 O80 P8 -","2","0.5","","Tan, Hua-Qiao; Chen, Wei-Lin; Liu, Ding; Li, Yang-Guang; Wang, En-Bo","Spontaneous resolution of a new diphosphonate-functionalized polyoxomolybdate","CrystEngComm","2010","12","12","4017","","10.1039/c0ce00104j","","","0.71073","MoKα","","0.0424","0.0396","","","0.1046","0.1066","","","","","","0.999","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212785","8.5636","0.0015","9.392","0.006","28.1899","0.0017","90","","90","","90","","2267.3","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,3-dihexyl-benzimidazolium hexaflorophosphate","","","- C19 H31 F6 N2 P -","- C19 H31 F6 N2 P -","- C76 H124 F24 N8 P4 -","4","1","","Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B.","N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ‒π dimer or C‒H⋯π catemer motifs","CrystEngComm","2010","12","12","4347","","10.1039/c0ce00105h","","","0.71073","MoKα","","0.1643","0.0829","","","0.1889","0.247","","","","","","0.995","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212786","9.096","0.01","9.1414","0.0014","13.805","0.003","71.505","0.015","78.19","0.05","76.7","0.03","1048.6","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H33 Br N2 O -","- C19 H33 Br N2 O -","- C38 H66 Br2 N4 O2 -","2","1","","Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B.","N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ‒π dimer or C‒H⋯π catemer motifs","CrystEngComm","2010","12","12","4347","","10.1039/c0ce00105h","","","0.71073","MoKα","","0.085","0.0546","","","0.1343","0.1516","","","","","","1.011","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212787","9.288","0.007","13.7946","0.0013","18.739","0.003","69.402","0.014","76.16","0.03","86.15","0.03","2181.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H32 I N2 O0.5 -","- C19 H32 I N2 O0.5 -","- C76 H128 I4 N8 O2 -","4","2","","Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B.","N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ‒π dimer or C‒H⋯π catemer motifs","CrystEngComm","2010","12","12","4347","","10.1039/c0ce00105h","","","0.71073","MoKα","","0.0713","0.0497","","","0.1363","0.1457","","","","","","0.992","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212788","20.364","0.0005","7.789","0.0002","31.103","0.0007","90","","91.8689","0.0014","90","","4930.8","0.2","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Co-crystal of lithocholic acid and lithocholic acid-melamine salt","","","- C51 H86 N6 O6 -","- C51 H86 N6 O6 -","- C204 H344 N24 O24 -","4","2","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.1566","0.079","","","0.1419","0.1708","","","","","","1.03","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212789","20.0656","0.0003","7.6866","0.001","20.2789","0.0003","90","","115.305","0.0009","90","","2827.6","0.4","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","Salt of deoxycholic acid and melamine","","","- C27 H46 N6 O4 -","- C27 H46 N6 O4 -","- C108 H184 N24 O16 -","4","1","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.0554","0.0481","","","0.12","0.1246","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212790","19.7152","0.0007","7.7592","0.0003","20.4722","0.0007","90","","115.078","0.002","90","","2836.5","0.18","123","2","123","2","","","","","","","","4","C 1 2 1","C 2y","5","Cholic acid-melamine co-crystal hemihydrate","","","- C27 H47 N6 O5.5 -","- C27 H47 N6 O5.5 -","- C108 H188 N24 O22 -","4","1","","Ikonen, Satu; Nonappa,; Kolehmainen, Erkki","Supramolecular architectures formed by co-crystallization of bile acids and melamine","CrystEngComm","2010","12","12","4304","","10.1039/c0ce00108b","","","0.71073","MoKα","","0.0858","0.0667","","","0.1514","0.1615","","","","","","1.099","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7212791","18.693","0.003","10.1161","0.0019","20.355","0.004","90","","97.326","0.003","90","","3817.7","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 N4 Ni O14 -","- C38 H42 N4 Ni O14 -","- C152 H168 N16 Ni4 O56 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.0828","0.0556","","","0.1492","0.1681","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212792","18.7369","0.0003","10.1621","0.0001","20.3373","0.0003","90","","97.079","0.001","90","","3842.83","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Co N4 O14 -","- C38 H42 Co N4 O14 -","- C152 H168 Co4 N16 O56 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.0777","0.0535","","","0.1565","0.1647","","","","","","1.003","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212793","20.4381","0.0007","9.8231","0.0003","16.4244","0.0005","90","","106.708","0.003","90","","3158.24","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Co N4 O8 -","- C38 H30 Co N4 O8 -","- C152 H120 Co4 N16 O32 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.065","0.0457","","","0.1154","0.1218","","","","","","0.996","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212794","25.323","0.004","4.8988","0.0008","33.3","0.004","90","","120","","90","","3577.5","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H42 Cl6 Hg3 N6 O14 -","- C54 H42 Cl6 Hg3 N6 O14 -","- C108 H84 Cl12 Hg6 N12 O28 -","2","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.1584","0.0992","","","0.2657","0.307","","","","","","1.015","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212795","7.5483","0.0002","36.1989","0.0011","22.798","0.0005","90","","90","","90","","6229.3","0.3","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C50 H42 Hg3 I6 N6 O11 -","- C50 H42 Hg3 I6 N6 O11 -","- C200 H168 Hg12 I24 N24 O44 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.0748","0.0599","","","0.1353","0.1555","","","","","","1.102","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212796","28.905","0.0019","10.3312","0.0003","22.738","0.003","90","","118.362","0.011","90","","5975","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 Cl6 N6 O14 Zn3 -","- C52 H50 Cl6 N6 O14 Zn3 -","- C208 H200 Cl24 N24 O56 Zn12 -","4","0.5","","Wang, Xiu-Jian; Huang, Ting-Hong; Tang, Lin-Hua; Cen, Zhong-Min; Ni, Qing-Ling; Gui, Liu-Cheng; Jiang, Xuan-Feng; Liu, Hong-Ke","Synthesis and structures of helical and meso-helical coordination polymers directed by the conformation restriction of flexible/angular pyridine-containing ligands","CrystEngComm","2010","12","12","4356","","10.1039/c0ce00110d","","","0.71073","MoKα","","0.069","0.0532","","","0.156","0.1637","","","","","","1.05","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212797","28.549","0.002","14.4101","0.0011","13.4766","0.001","90","","97.584","0.001","90","","5495.7","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 Dy N2 O8 -","- C15 H11 Dy N2 O8 -","- C120 H88 Dy8 N16 O64 -","8","1","","Feng, Xun; Wang, Li-Ya; Wang, Jian- Ge; Xie, Cheng-Zhi; Zhao, Jian-She; Sun, Qian","A unique example of a 3D framework based on the binuclear dysprosium(iii) azobenzene-3,5,4′-tricarboxylate with 3,6-connected topology showing ferromagnetic properties","CrystEngComm","2010","12","11","3476","","10.1039/c0ce00119h","","","0.71073","MoKα","","0.0528","0.048","","","0.1777","0.1885","","","","","","1.025","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212798","6.0915","0.0012","9.961","0.002","13.361","0.003","68.87","0.03","81.01","0.03","76.72","0.03","733.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 Eu N2 O12 -","- C7 H14 Eu N2 O12 -","- C14 H28 Eu2 N4 O24 -","2","1","","Ma, Deyun; Wang, Weixia; Li, Yingwei; Li, Jing; Daiguebonne, Carole; Calvez, Guillaume; Guillou, Olivier","In situ 2,5-pyrazinedicarboxylate and oxalate ligands synthesis leading to a microporous europium‒organic framework capable of selective sensing of small molecules","CrystEngComm","2010","12","12","4372","","10.1039/c0ce00135j","","","0.71073","MoKα","","0.0672","0.0508","","","0.1242","0.1338","","","","","","1.053","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212799","14.696","0.005","14.296","0.005","11.558","0.005","90","0.005","121.509","0.005","90","0.005","2070.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Ag N9 O3 -","- C20 H18 Ag N9 O3 -","- C80 H72 Ag4 N36 O12 -","4","0.5","","Wang, Shuang; Zang, Hongying; Sun, Chunyi; Xu, Guangjuan; Wang, Xinlong; Shao, Kuizhan; Lan, Yaqian; Su, Zhongmin","Anion-directed genuine meso-helical supramolecular isomers of two 1D Ag(i) complexes based on arene-linked bis(pyrazolyl)methane ligands","CrystEngComm","2010","12","11","3458","","10.1039/c0ce00137f","","","0.71069","MoKα","","0.0418","0.0318","","","0.0713","0.075","","","","","","1.049","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212800","9.155","0.005","20.337","0.005","11.698","0.005","90","0.005","91.47","0.005","90","0.005","2177.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Ag N9 O3 -","- C20 H18 Ag N9 O3 -","- C80 H72 Ag4 N36 O12 -","4","1","","Wang, Shuang; Zang, Hongying; Sun, Chunyi; Xu, Guangjuan; Wang, Xinlong; Shao, Kuizhan; Lan, Yaqian; Su, Zhongmin","Anion-directed genuine meso-helical supramolecular isomers of two 1D Ag(i) complexes based on arene-linked bis(pyrazolyl)methane ligands","CrystEngComm","2010","12","11","3458","","10.1039/c0ce00137f","","","0.71069","MoKα","","0.1516","0.0721","","","0.1757","0.2302","","","","","","0.971","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212801","5.2025","0.0002","9.7343","0.0008","26.324","0.002","90","","90","","90","","1333.12","0.16","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-((2-methylbenzylidene)amino)-2-phenylacetamide","(S)-2-((2-methylbenzylidene)amino)-2-phenylacetamide","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Leeman, Michel; Noorduin, Wim L.; Millemaggi, Alessia; Vlieg, Elias; Meekes, Hugo; van Enckevort, Willem J. P.; Kaptein, Bernard; Kellogg, Richard M.","Efficient Havinga‒Kondepudi resolution of conglomerate amino acid derivatives by slow cooling and abrasive grinding","CrystEngComm","2010","12","7","2051","","10.1039/c0ce00140f","","","0.71073","MoKα","","0.0794","0.0478","","","0.0829","0.0922","","","","","","1.088","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7212802","23.631","0.003","4.8043","0.0007","23.56","0.003","90","","116.741","0.002","90","","2388.7","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Cu2 N6 -","- C28 H18 Cu2 N6 -","- C112 H72 Cu8 N24 -","4","0.5","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.0612","0.0536","","","0.1312","0.1358","","","","","","1.159","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212803","18.175","0.003","8.735","0.0015","30.413","0.005","90","","90","","90","","4828.3","1.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H21 Cu N4 O5.5 S -","- C26 H18 Cu N4 O5.5 S -","- C208 H144 Cu8 N32 O44 S8 -","8","1","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.1122","0.064","","","0.1488","0.1731","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212804","13.115","0.0019","22.273","0.003","10.6802","0.0015","90","","118.973","0.002","90","","2729.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 Br2 Cu2 N5 -","- C28 H18 Br2 Cu2 N5 -","- C112 H72 Br8 Cu8 N20 -","4","0.5","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.07","0.0547","","","0.1242","0.1309","","","","","","1.136","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212805","10.1652","0.0008","14.6342","0.0012","15.2829","0.0012","117.538","0.001","96.141","0.001","104.338","0.001","1887.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu10 I10 N8 O2 -","- C52 H36 Cu10 I10 N8 O2 -","- C52 H36 Cu10 I10 N8 O2 -","1","0.5","","Hu, Sheng; Zhang, Ze-Ming; Meng, Zhao-Sha; Lin, Zhuo-Jia; Tong, Ming-Liang","Anion-dependent construction of copper(i/ii)-1,2,4,5-tetra(4-pyridyl)benzene frameworks","CrystEngComm","2010","12","12","4378","","10.1039/c0ce00141d","","","0.71073","MoKα","","0.0627","0.045","","","0.1025","0.1111","","","","","","1.036","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212806","22.508","0.004","11.5522","0.0018","12.3631","0.0019","90","","103.304","0.009","90","","3128.3","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cl6 Fe N6 S2 -","- C26 H18 Cl6 Fe N6 S2 -","- C104 H72 Cl24 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0484","0.0385","","","0.0959","0.1015","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212807","21.3329","0.0011","11.5783","0.0005","12.9964","0.0007","90","","99.347","0.003","90","","3167.5","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Fe N6 S2 -","- C36 H32 Fe N6 S2 -","- C144 H128 Fe4 N24 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.1053","0.0784","","","0.1861","0.2056","","","","","","1.044","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212808","22.471","0.006","11.605","0.003","13.205","0.003","90","","103.083","0.015","90","","3354.2","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Fe N8 O4 S2 -","- C34 H26 Fe N8 O4 S2 -","- C136 H104 Fe4 N32 O16 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0441","0.0325","","","0.072","0.0776","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212809","11.5165","0.0011","11.4813","0.0011","13.1038","0.0011","90","","106.602","0.005","90","","1660.4","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C30 H36 Fe N6 O2 S2 -","- C30 H36 Fe N6 O2 S2 -","- C60 H72 Fe2 N12 O4 S4 -","2","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0584","0.0396","","","0.0918","0.1001","","","","","","1.034","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212810","11.5535","0.0019","11.5357","0.0018","15.45","0.003","90","","114.365","0.012","90","","1875.7","0.6","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34 H40 Fe N6 O4 S2 -","- C34 H40 Fe N6 O4 S2 -","- C68 H80 Fe2 N12 O8 S4 -","2","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.2478","0.1937","","","0.5167","0.5303","","","","","","1.88","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212811","16.049","0.002","16.613","0.003","12.5984","0.0018","90","","120.581","0.004","90","","2891.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Fe N6 O3 S2 -","- C26 H16 Fe N6 O3 S2 -","- C104 H64 Fe4 N24 O12 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0574","0.0497","","","0.1446","0.1517","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212812","16.4191","0.0006","16.3755","0.0006","12.5505","0.0004","90","","120.21","0.002","90","","2916.17","0.19","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 Fe N8 O5 S2 -","- C25 H25 Fe N8 O5 S2 -","- C100 H100 Fe4 N32 O20 S8 -","4","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0447","0.04","","","0.1127","0.1163","","","","","","1.038","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212813","11.5305","0.0005","11.5424","0.0005","12.7461","0.0006","90","","110.832","0.002","90","","1585.48","0.12","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C25 H16 Fe N6 S8 -","- C25 H16 Fe N6 S8 -","- C50 H32 Fe2 N12 S16 -","2","0.5","","Adams, Christopher J.; Real, José Antonio; Waddington, Rachel E.","The two-dimensional iron(ii)‒thiocyanate‒4,4′-bipyridine coordination network","CrystEngComm","2010","12","11","3547","","10.1039/c0ce00149j","","","0.71073","MoKα","","0.0576","0.0468","","","0.143","0.1495","","","","","","1.153","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212814","12.1205","0.0004","15.552","0.0005","17.3547","0.0006","85.886","0.003","71.153","0.003","78.266","0.003","3031.17","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H70 Cl Cu3 Li N6 O18 -","- C60 H70 Cl Cu3 Li N6 O18 -","- C120 H140 Cl2 Cu6 Li2 N12 O36 -","2","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0829","0.041","","","0.0611","0.066","","","","","","0.807","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212815","12.0391","0.0003","16.6189","0.0003","16.6213","0.0003","86.908","0.002","69.87","0.002","82.251","0.002","3093.78","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H70 Cu3 N9 Na O14 -","- C62 H70 Cu3 N9 Na O14 -","- C124 H140 Cu6 N18 Na2 O28 -","2","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.08","0.0407","","","0.0728","0.0778","","","","","","0.853","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212816","12.7379","0.0014","15.5892","0.0019","16.265","0.002","85.814","0.01","73.4","0.01","85.944","0.009","3082.7","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H70 Cu3 Mg N8 O22 -","- C60 H70 Cu3 Mg N8 O22 -","- C120 H140 Cu6 Mg2 N16 O44 -","2","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0925","0.0536","","","0.1134","0.1198","","","","","","0.893","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212817","21.4852","0.0003","25.7356","0.0003","18.6849","0.0002","90","","91.902","0.001","90","","10325.8","0.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C100 H110 Cl3 Cu5 K3 N10 O32 -","- C100 H110 Cl3 Cu5 K3 N10 O32 -","- C400 H440 Cl12 Cu20 K12 N40 O128 -","4","0.5","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0455","0.0332","","","0.0872","0.0895","","","","","","1.041","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212818","7.1687","0.0002","13.7862","0.0004","23.3747","0.0006","90","","90","","90","","2310.1","0.11","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu F6 K N2 O4 P -","- C20 H22 Cu F6 K N2 O4 P -","- C80 H88 Cu4 F24 K4 N8 O16 P4 -","4","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0477","0.0337","","","0.0552","0.0569","","","","","","0.865","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212819","14.0693","0.0005","14.9039","0.0006","16.9493","0.0005","115.765","0.004","106.404","0.003","91.471","0.003","3024.8","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H144 B2 Cu4 N8 O20 Rb2 -","- C134 H144 B2 Cu4 N8 O20 Rb2 -","- C134 H144 B2 Cu4 N8 O20 Rb2 -","1","0.5","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0343","0.0237","","","0.0566","0.0577","","","","","","0.95","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212820","7.5738","0.0007","7.7425","0.0007","9.4012","0.0008","109.086","0.002","95.635","0.002","99.598","0.002","506.74","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Br I N4 -","- C20 H24 Br I N4 -","- C20 H24 Br I N4 -","1","0.5","","Roper, Laila C.; Präsang, Carsten; Whitwood, Adrian C.; Bruce, Duncan W.","A halogen-bonded complex of DMAP with 4-bromoiodobenzene","CrystEngComm","2010","12","11","3382","","10.1039/c0ce00160k","","","0.71073","MoKα","","0.0259","0.0245","","","0.0624","0.0631","","","","","","1.041","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212823","15.8233","0.0011","9.5733","0.0007","38.988","0.003","90","","96.762","0.002","90","","5864.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Cu3 N6 S4.5 -","- C27 H21 Cu3 N6 S4.5 -","- C216 H168 Cu24 N48 S36 -","8","1","","Peng, Rong; Li, Mian; Deng, Shi-Ren; Li, Zao-Ying; Li, Dan","Two genuine supramolecular isomers exhibiting hierarchical resemblance and distinction","CrystEngComm","2010","12","11","3670","","10.1039/c0ce00163e","","","0.71073","MoKα","","0.1022","0.0602","","","0.1296","0.1514","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212824","13.8291","0.001","12.241","0.0009","24.3326","0.0018","90","","104.604","0.002","90","","3986","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cu2 N4 S3 -","- C18 H14 Cu2 N4 S3 -","- C144 H112 Cu16 N32 S24 -","8","1","","Peng, Rong; Li, Mian; Deng, Shi-Ren; Li, Zao-Ying; Li, Dan","Two genuine supramolecular isomers exhibiting hierarchical resemblance and distinction","CrystEngComm","2010","12","11","3670","","10.1039/c0ce00163e","","","0.71073","MoKα","","0.07","0.0448","","","0.0969","0.1079","","","","","","1.011","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212825","16.824","0.003","13.646","0.002","15.09","0.002","90","","111.192","0.003","90","","3230.1","0.9","295","2","295","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H20 Cu5 N9 S4 -","- C27 H20 Cu5 N9 S4 -","- C108 H80 Cu20 N36 S16 -","4","1","","Hou, Lei; Shi, Wen-Juan; Wang, Yao-Yu; Liu, Bo; Huang, Wen-Huan; Shi, Qi-Zhen","Two new coordination polymers with multiform helical features based on flexible dithioether ligands and CuCN: from self-penetrating to 3-fold interpenetrating structures","CrystEngComm","2010","12","12","4365","","10.1039/c0ce00167h","","","0.71073","MoKα","","0.0597","0.051","","","0.0969","0.1016","","","","","","1.061","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212826","14.474","0.003","6.949","0.0012","17.45","0.003","90","","96.255","0.004","90","","1744.7","0.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Cu3 N5 S2 -","- C15 H12 Cu3 N5 S2 -","- C60 H48 Cu12 N20 S8 -","4","0.5","","Hou, Lei; Shi, Wen-Juan; Wang, Yao-Yu; Liu, Bo; Huang, Wen-Huan; Shi, Qi-Zhen","Two new coordination polymers with multiform helical features based on flexible dithioether ligands and CuCN: from self-penetrating to 3-fold interpenetrating structures","CrystEngComm","2010","12","12","4365","","10.1039/c0ce00167h","","","0.71073","MoKα","","0.0492","0.0402","","","0.0954","0.0999","","","","","","1.077","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212827","20.786","0.0002","20.786","0.0002","32.3848","0.0007","90","","90","","90","","13992.1","0.4","120","2","120","2","","","","","","","Jose Giner Planas","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C13 H20 B10 O2 -","- C13 H20 B10 O2 -","- C416 H640 B320 O64 -","32","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.1503","0.1101","","","0.3113","0.3408","","","","","","1.277","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212828","19.1234","0.0008","9.0888","0.0004","23.1603","0.0007","90","","95.767","0.002","90","","4005.1","0.3","120","2","120","2","","","","","","","Jose Giner Planas","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B10 O -","- C18 H24 B10 O -","- C144 H192 B80 O8 -","8","2","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.1555","0.0868","","","0.1971","0.2359","","","","","","1.028","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212829","19.0233","0.0005","8.3839","0.0002","22.8968","0.0007","90","","96.012","0.002","90","","3631.71","0.17","120","2","120","2","","","","","","","Jose Giner Planas","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H22 B10 O -","- C15 H22 B10 O -","- C120 H176 B80 O8 -","8","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.0904","0.0614","","","0.1672","0.1883","","","","","","1.021","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212830","13.8781","0.0006","14.4748","0.0004","14.8852","0.0007","90","","90","","90","","2990.2","0.2","120","2","120","2","","","","","","","Pepe","5","P b c a","-P 2ac 2ab","61","","","","- C9 H19 B10 N O -","- C9 H19 B10 N O -","- C72 H152 B80 N8 O8 -","8","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.0676","0.0526","","","0.134","0.1431","","","","","","1.032","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212831","17.6653","0.0003","17.6653","0.0003","12.7609","0.0003","90","","90","","90","","3982.2","0.13","120","2","120","2","","","","","","","Pepe","4","I -4","I -4","82","","","","- C17 H24 B10 O -","- C17 H24 B10 O -","- C136 H192 B80 O8 -","8","1","","Terrasson, Vincent; García, Yolanda; Farràs, Pau; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","Crystal engineering of o-carboranyl alcohols: syntheses, crystal structures and thermal properties","CrystEngComm","2010","12","12","4109","","10.1039/c0ce00169d","","","0.71073","MoKα","","0.0567","0.0485","","","0.1143","0.1195","","","","","","1.103","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212832","19.5952","0.0016","19.5952","0.0016","5.2472","0.0004","90","","90","","90","","2014.8","0.3","293","2","293","2","","","","","","","","6","P 42","P 4c","77","","","","- C48 H36 Cl2 N4 O2 Zn -","- C48 H36 Cl2 N4 O2 Zn -","- C96 H72 Cl4 N8 O4 Zn2 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo","Diamondoid and square-grid networks based on bent wheel-and-axle diols","CrystEngComm","2010","12","12","4226","","10.1039/c0ce00173b","","","0.71073","MoKα","","0.0677","0.0399","","","0.0831","0.0904","","","","","","0.898","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212833","19.589","0.007","19.589","0.007","5.149","0.002","90","","90","","90","","1975.8","1.3","293","2","293","2","","","","","","","","6","P 42","P 4c","77","","","","- C48 H36 Br2 N4 O2 Zn -","- C48 H36 Br2 N4 O2 Zn -","- C96 H72 Br4 N8 O4 Zn2 -","2","0.5","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo","Diamondoid and square-grid networks based on bent wheel-and-axle diols","CrystEngComm","2010","12","12","4226","","10.1039/c0ce00173b","","","0.71073","MoKα","","0.0741","0.0464","","","0.0996","0.1076","","","","","","0.924","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212834","18.9037","0.0001","18.9037","0.0001","11.8392","0.0006","90","","90","","90","","4230.7","0.2","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C48 H36 I2 N4 O2 Zn -","- C48 H36 I2 N4 O2 Zn -","- C192 H144 I8 N16 O8 Zn4 -","4","0.5","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Pelagatti, Paolo","Diamondoid and square-grid networks based on bent wheel-and-axle diols","CrystEngComm","2010","12","12","4226","","10.1039/c0ce00173b","","","0.71073","MoKα","","0.053","0.0326","","","0.0617","0.0684","","","","","","1.042","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212835","9.817","0.0005","9.9754","0.0005","38.6879","0.0017","90","","90","","90","","3788.6","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N8 -","- C22 H18 N8 -","- C176 H144 N64 -","8","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0558","0.0407","","","0.0934","0.1008","","","","","","1.056","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212836","9.11","0.005","10.485","0.005","14.4","0.008","74.055","0.007","81.433","0.007","86.057","0.005","1307.2","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N12 -","- C30 H24 N12 -","- C60 H48 N24 -","2","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.1127","0.0529","","","0.1121","0.1364","","","","","","1","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212837","12.6145","0.0005","14.4977","0.0006","28.1911","0.0011","78.018","0.002","81.577","0.002","79.422","0.002","4926","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H81 Cl4 N27 O20 Pb2 -","- C78 H81 Cl4 N27 O20 Pb2 -","- C156 H162 Cl8 N54 O40 Pb4 -","2","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.077","0.0485","","","0.1132","0.121","","","","","","1.023","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212838","14.2078","0.0005","15.0213","0.0006","15.6798","0.0006","117.794","0.002","90.479","0.002","116.858","0.002","2537.23","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 Cl2 N16 O8 Pb -","- C44 H36 Cl2 N16 O8 Pb -","- C88 H72 Cl4 N32 O16 Pb2 -","2","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.1093","0.0976","","","0.2187","0.2245","","","","","","1.167","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212839","12.4736","0.0005","22.5686","0.0011","15.6899","0.0006","90","","103.555","0.003","90","","4293.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Cl2 N13 O9.5 Pb -","- C35 H36 Cl2 N13 O9.5 Pb -","- C140 H144 Cl8 N52 O38 Pb4 -","4","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.1169","0.061","","","0.1567","0.1861","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212840","17.4206","0.0004","22.1469","0.0005","24.5102","0.0007","90","","90","","90","","9456.3","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H37 Cl2 N13 O9 Pb -","- C36 H37 Cl2 N13 O9 Pb -","- C288 H296 Cl16 N104 O72 Pb8 -","8","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0936","0.0623","","","0.1709","0.1832","","","","","","1.123","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212841","19.6201","0.0007","19.7818","0.0007","21.6058","0.0008","90","","92.69","0.003","90","","8376.4","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H33 Cl2 N10 O8 Pb -","- C38 H33 Cl2 N10 O8 Pb -","- C304 H264 Cl16 N80 O64 Pb8 -","8","1","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0998","0.0621","","","0.1646","0.1905","","","","","","1.052","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212842","11.6268","0.0006","12.1895","0.0006","13.5805","0.0007","102.909","0.003","102.681","0.003","102.962","0.002","1753.04","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H47 Cl4 N17 O22 Pb2 -","- C49 H47 Cl4 N17 O22 Pb2 -","- C49 H47 Cl4 N17 O22 Pb2 -","1","0.5","","Najar, Adel M.; Tidmarsh, Ian S.; Ward, Michael D.","Lead(ii) complexes of bis- and tris-bidentate compartmental ligands based on pyridyl-pyrazole and pyridyl-triazole fragments: coordination networks and a discrete dimeric box","CrystEngComm","2010","12","11","3642","","10.1039/c0ce00176g","","","0.71073","MoKα","","0.0946","0.0584","","","0.1423","0.161","","","","","","1.019","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212843","40.561","0.004","40.561","0.004","7.4674","0.0007","90","","90","","90","","12285","2","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C22 H30 Cd2 Cl2 N4 O5 -","- C22 H30 Cd2 Cl2 N4 O5 -","- C352 H480 Cd32 Cl32 N64 O80 -","16","1","","Fang, Hua-Cai; Ge, Ying-Ying; Ying, Yin; Zheng, Sheng-Run; Zhan, Qing-Guang; Zhou, Zheng-Yuan; Chen, Li; Cai, Yue-Peng","Syntheses and conversions of dinuclear cadmium(ii) compounds containing N2O/N2O2 donor tridentate/tetradentate asymmetrical Schiff base ligands","CrystEngComm","2010","12","12","4012","","10.1039/c0ce00177e","","","0.71073","MoKα","","0.0575","0.0462","","","0.1245","0.1336","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212844","40.561","0.004","40.561","0.004","7.4674","0.0007","90","","90","","90","","12285","2","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C22 H30 Cd2 Cl2 N4 O5 -","- C22 H30 Cd2 Cl2 N4 O5 -","- C352 H480 Cd32 Cl32 N64 O80 -","16","1","","Fang, Hua-Cai; Ge, Ying-Ying; Ying, Yin; Zheng, Sheng-Run; Zhan, Qing-Guang; Zhou, Zheng-Yuan; Chen, Li; Cai, Yue-Peng","Syntheses and conversions of dinuclear cadmium(ii) compounds containing N2O/N2O2 donor tridentate/tetradentate asymmetrical Schiff base ligands","CrystEngComm","2010","12","12","4012","","10.1039/c0ce00177e","","","0.71073","MoKα","","0.0572","0.046","","","0.1236","0.1327","","","","","","0.984","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212845","9.85","0.002","11.607","0.002","14.313","0.003","90.89","0.03","104.7","0.03","93.75","0.03","1578.6","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H86 Cu4 Mo2 N30 O12 -","- C36 H86 Cu4 Mo2 N30 O12 -","- C36 H86 Cu4 Mo2 N30 O12 -","1","0.5","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","A one-dimensional homochiral Mo(iv)-Cu(ii) coordination polymer: spontaneous resolution and photoresponsive properties","CrystEngComm","2010","12","12","4045","","10.1039/c0ce00178c","","","0.71073","MoKα","","0.0385","0.0307","","","0.0771","0.0807","","","","","","1.092","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212846","10.206","0.002","14.185","0.003","10.777","0.002","90","","93.69","0.03","90","","1557","0.5","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H43 Cu2 Mo N15 O4 -","- C20 H43 Cu2 Mo N15 O4 -","- C40 H86 Cu4 Mo2 N30 O8 -","2","1","","Zhang, Wen; Sun, Hao-Ling; Sato, Osamu","A one-dimensional homochiral Mo(iv)-Cu(ii) coordination polymer: spontaneous resolution and photoresponsive properties","CrystEngComm","2010","12","12","4045","","10.1039/c0ce00178c","","","0.71073","MoKα","","0.0231","0.0218","","","0.0484","0.0486","","","","","","1","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212847","25.025","0.0015","5.5727","0.0003","14.7787","0.0009","90","","90","","90","","2061","0.2","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H24 Ag N O5 S2 -","- C20 H24 Ag N O5 S2 -","- C80 H96 Ag4 N4 O20 S8 -","4","1","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.71073","MoKα","","0.0543","0.0441","","","0.1009","0.1075","","","","","","1.035","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212848","12.851","0.002","13.297","0.002","14.903","0.002","112.1","0.007","107.57","0.006","91.354","0.007","2222.1","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H102 Ag4 B4 F16 O10 S8 -","- C82 H102 Ag4 B4 F16 O10 S8 -","- C82 H102 Ag4 B4 F16 O10 S8 -","1","0.5","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.71073","MoKα","","0.0565","0.0506","","","0.1178","0.1243","","","","","","1.039","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212849","10.7047","0.0007","17.0508","0.0011","13.62","0.0009","90","","105.185","0.002","90","","2399.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Ag F3 O5 S3 -","- C21 H24 Ag F3 O5 S3 -","- C84 H96 Ag4 F12 O20 S12 -","4","1","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.71073","MoKα","","0.0737","0.0424","","","0.0805","0.1348","","","","","","1.199","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212850","14.918","0.003","15.796","0.003","18.97","0.004","90","","96.16","0.03","90","","4444.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Ag2 F6 O8 S4 -","- C44 H48 Ag2 F6 O8 S4 -","- C176 H192 Ag8 F24 O32 S16 -","4","1","","Lee, So Young; Lee, Shim Sung","Anion-directed supramolecular silver(i) complexes of an O2S2-macrocycle: cyclic oligomer and 2-D coordination polymers","CrystEngComm","2010","12","11","3471","","10.1039/c0ce00182a","","","0.77","synchrotron","","0.0671","0.0592","","","0.1732","0.1819","","","","","","1.097","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212851","10.901","0.001","11.972","0.001","13.205","0.001","77.164","0.004","76.256","0.003","74.665","0.004","1590.9","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","gold phosphonium","","","- C32 H22 Au N2 O4 P S4 -","- C32 H22 Au N2 O4 P S4 -","- C64 H44 Au2 N4 O8 P2 S8 -","2","1","","Ranganathan, Anupama; El-Ghayoury, Abdelkrim; Zorina, Leokadiya; Batail, Patrick","The layered topology of a five components melaminium-melamine hybrid salt of a functional gold(iii) dithiolene complex","CrystEngComm","2010","12","12","4268","","10.1039/c0ce00188k","","","0.71073","MoKα","","0.0635","0.0402","","","0.0576","0.0614","","","","","","1.083","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212852","8.013","0.001","13.059","0.001","17.0873","0.0016","101.236","0.008","96.662","0.007","100.106","0.006","1705.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","gold(iii) bis(4,5-diamido-2-oxo-1,3-dithiolate) melaminium","","","- C20 H33 Au N16 O8 S4 -","- C20 H33 Au N16 O8 S4 -","- C40 H66 Au2 N32 O16 S8 -","2","1","","Ranganathan, Anupama; El-Ghayoury, Abdelkrim; Zorina, Leokadiya; Batail, Patrick","The layered topology of a five components melaminium-melamine hybrid salt of a functional gold(iii) dithiolene complex","CrystEngComm","2010","12","12","4268","","10.1039/c0ce00188k","","","0.71073","MoKα","","0.0591","0.032","","","0.05","0.0553","","","","","","1.072","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212853","35.61","0.005","17.813","0.002","32.235","0.004","90","","112.749","0.009","90","","18857","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C158 H190 Ba3 N10 O87 S14 -","- C158 H126 Ba3 N10 O87 S14 -","- C632 H504 Ba12 N40 O348 S56 -","4","0.5","","Erra, Loredana; Tedesco, Consiglia; Vaughan, Gavin; Brunelli, Michela; Troisi, Francesco; Gaeta, Carmine; Neri, Placido","A solid-state molecular capsule based on p-sulfonatocalix[7]arene and dicationic Diquat guest","CrystEngComm","2010","12","11","3463","","10.1039/c0ce00198h","","","0.17723","","","0.1464","0.1416","","","0.3413","0.3442","","","","","","1.192","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212854","8.1103","0.0006","8.7455","0.0008","13.0119","0.001","90","","90","","90","","922.92","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N8 Zn -","- C8 H4 N8 Zn -","- C32 H16 N32 Zn4 -","4","1","","Liu, Wen-Ting; Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Spontaneous resolution of four-coordinate Zn(ii) complexes in the formation of three-dimensional metal‒organic frameworks","CrystEngComm","2010","12","11","3487","","10.1039/c0ce00206b","","","0.71073","MoKα","","0.0215","0.0194","","","0.0419","0.0425","","","","","","1.033","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212855","8.1094","0.0003","8.7499","0.0004","13.0128","0.0005","90","","90","","90","","923.34","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N8 Zn -","- C8 H4 N8 Zn -","- C32 H16 N32 Zn4 -","4","1","","Liu, Wen-Ting; Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Spontaneous resolution of four-coordinate Zn(ii) complexes in the formation of three-dimensional metal‒organic frameworks","CrystEngComm","2010","12","11","3487","","10.1039/c0ce00206b","","","0.71073","MoKα","","0.0217","0.0195","","","0.0435","0.0509","","","","","","1.092","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212856","10.913","0.002","33.876","0.007","7.904","0.0016","90","","104.72","0.03","90","","2826.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cu3 Gd N7 O8 -","- C23 H22 Cu3 Gd N7 O8 -","- C92 H88 Cu12 Gd4 N28 O32 -","4","1","","Yan, Peng-Fei; Wang, Ying; Chen, Peng; Zhang, Ju-Wen; Wang, Yan; Li, Guang-Ming","A two dimensional heterospin layer coordination polymer of {[LCuIIGdIII(NO3)CuI2(CN)4]·MeOH}n with short CuI⋯CuI bonds","CrystEngComm","2010","12","12","4084","","10.1039/c0ce00207k","","","0.71073","MoKα","","0.1267","0.069","","","0.1505","0.1746","","","","","","1.033","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212857","10.35","0.002","11.989","0.002","21.671","0.004","86.9","0.03","78.51","0.03","69.14","0.03","2462","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Mn(biphen)2(3-pic)2][Na(EtOH)3(biphenH2)]","","","- C54 H58 Mn N2 Na O9 -","- C54 H58 Mn N2 Na O9 -","- C108 H116 Mn2 N4 Na2 O18 -","2","1","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.0941","0.061","","","0.1454","0.1634","","","","","","1.065","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212858","11.814","0.002","12.513","0.003","22.786","0.005","96.06","0.03","98.11","0.03","115.49","0.03","2957.6","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(py)3(EtOH)2)n","","","- C67 H59 Mn2 N3 Na2 O10 -","- C67 H57 Mn2 N3 Na2 O10 -","- C134 H114 Mn4 N6 Na4 O20 -","2","1","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.1225","0.0599","","","0.1218","0.1411","","","","","","0.966","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212859","11.293","0.002","15.606","0.003","17.596","0.004","84.81","0.03","77.73","0.03","81.07","0.03","2988.2","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","(Na2Mn2(biphen)4(EtOH)3(3-cnp)2)n","","","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","- C132 H116 Mn4 N8 Na4 O22 -","1","0.5","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.158","0.0814","","","0.1366","0.1698","","","","","","1.036","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7212860","10.377","0.002","21.331","0.004","23.121","0.005","90","","99.53","0.03","90","","5047.2","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Na(biphenH2)(EtOH)2(H2O))(Mn(biphen)2(4-cnp)2)","","","- C52 H46 Mn N4 Na O9 -","- C52 H46 Mn N4 Na O9 -","- C208 H184 Mn4 N16 Na4 O36 -","4","1","","Berg, Nelly; Jones, Leigh F.","Alternating bimetallic Na/Mn covalent and ionic chains","CrystEngComm","2010","12","11","3518","","10.1039/c0ce00218f","","","0.7107","MoKα","","0.1069","0.0725","","","0.2473","0.2652","","","","","","1.059","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212861","7.6596","0.0002","19.7497","0.0007","9.4708","0.0003","90","","109.067","0.002","90","","1354.09","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co0.14 N2 Zn0.86 -","- C10 H10 Cl4 Co0.14 N2 Zn0.86 -","- C40 H40 Cl16 Co0.56 N8 Zn3.44 -","4","1","","Adams, Christopher J.; Gillon, Amy L.; Lusi, Matteo; Orpen, A. Guy","Towards polymorphism control in coordination networks and metallo-organic salts","CrystEngComm","2010","12","12","4403","","10.1039/c0ce00230e","","","0.71073","MoKα","","0.0915","0.0629","","","0.1203","0.1352","","","","","","1.098","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212862","7.6491","0.0006","19.7209","0.0016","9.4569","0.0008","90","","109.049","0.002","90","","1348.43","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co0.05 N2 Zn0.95 -","- C10 H10 Cl4 Co0.047 N2 Zn0.953 -","- C40 H40 Cl16 Co0.188 N8 Zn3.812 -","4","1","","Adams, Christopher J.; Gillon, Amy L.; Lusi, Matteo; Orpen, A. Guy","Towards polymorphism control in coordination networks and metallo-organic salts","CrystEngComm","2010","12","12","4403","","10.1039/c0ce00230e","","","0.6893","synchrotron","","0.0228","0.0221","","","0.0575","0.058","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7212863","7.6596","0.0001","19.7388","0.0004","9.4616","0.0002","90","","109.062","0.001","90","","1352.07","0.04","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl4 Co0.07 N2 Zn0.93 -","- C10 H10 Cl4 Co0.072 N2 Zn0.928 -","- C40 H40 Cl16 Co0.288 N8 Zn3.712 -","4","1","","Adams, Christopher J.; Gillon, Amy L.; Lusi, Matteo; Orpen, A. Guy","Towards polymorphism control in coordination networks and metallo-organic salts","CrystEngComm","2010","12","12","4403","","10.1039/c0ce00230e","","","0.71073","MoKα","","0.0253","0.0216","","","0.0489","0.0503","","","","","","1.08","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7212864","9.0766","0.0007","11.6167","0.0009","12.4603","0.001","90","","103.471","0.002","90","","1277.67","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 F2 N2 O -","- C7 H4 F2 N2 O -","- C56 H32 F16 N16 O8 -","8","1","","Pérez-Torralba, Marta; López, Concepción; Pérez-Medina, Carlos; Claramunt, Rosa M.; Pinilla, Elena; Torres, M. Rosario; Alkorta, Ibon; Elguero, José","Fast degenerate double proton transfer in the solid state between two indazolinone tautomers","CrystEngComm","2010","12","12","4052","","10.1039/c0ce00249f","","","0.71073","MoKα","","0.0438","0.0315","","","0.0763","0.0825","","","","","","1.071","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212865","6.9363","0.0004","6.9574","0.0004","12.0029","0.0008","77.23","0.005","73.739","0.006","71.192","0.006","520.9","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O4 -","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","1","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1432","0.0545","","","0.1241","0.1505","","","","","","0.862","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212866","11.6701","0.0005","20.9348","0.0007","12.9988","0.0005","90","","114.656","0.005","90","","2886.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C120 H156 N12 O24 -","6","1.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1188","0.0793","","","0.1883","0.2062","","","","","","1.035","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212867","10.656","0.003","8.429","0.001","22.31","0.002","90","","99.851","0.004","90","","1974.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.0605","0.0424","","","0.1152","0.1291","","","","","","1.006","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212868","12.661","0.003","10.129","0.001","17.361","0.002","90","","93.13","0.01","90","","2223.1","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 N2 O4 -","- C23 H32 N2 O4 -","- C92 H128 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.2667","0.0934","","","0.1766","0.2491","","","","","","1.023","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212869","5.4308","0.0002","20.7179","0.0007","15.4813","0.0006","90","","92.205","0.003","90","","1740.59","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.153","0.0882","","","0.1461","0.1685","","","","","","1.159","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212870","13.7629","0.0008","5.3869","0.0004","24.64","0.002","90","","95.597","0.006","90","","1818.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C76 H96 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1162","0.0647","","","0.1266","0.1429","","","","","","1.099","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212871","7.1246","0.0004","11.1403","0.0004","12.9265","0.0007","81.099","0.004","84.868","0.005","71.717","0.004","961.54","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C40 H52 N4 O8 -","2","1","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1632","0.058","","","0.1059","0.1333","","","","","","0.911","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212872","21.121","0.002","4.9224","0.0003","16.638","0.001","90","","119.752","0.006","90","","1501.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.0733","0.0427","","","0.1047","0.1136","","","","","","0.954","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212873","12.2889","0.0004","11.14","0.0005","24.345","0.001","90","","96.933","0.004","90","","3308.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","2","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.285","0.0827","","","0.1553","0.2049","","","","","","0.9","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212874","7.2159","0.0006","7.3354","0.0007","8.8449","0.0007","90.21","0.007","93.428","0.006","115.808","0.009","420.49","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","1","0.5","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.0874","0.0499","","","0.124","0.137","","","","","","0.916","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212875","11.138","0.001","47.332","0.005","14.436","0.002","90","","105.832","0.001","90","","7321.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C304 H384 N32 O64 -","16","4","","Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca","Remarkable reversal of melting point alternation by co-crystallization","CrystEngComm","2010","12","11","3534","","10.1039/c0ce00253d","","","0.71073","MoKα","","0.1923","0.0827","","","0.2294","0.2987","","","","","","0.986","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212876","11.0239","0.001","17.054","0.001","9.754","0.001","90","","90","","90","","1833.8","0.3","250","2","250","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C16 H13.5 N4 O8.75 Zr0.5 -","- C16 H13.5 N4 O8.75 Zr0.5 -","- C64 H54 N16 O35 Zr2 -","4","1","","Mouchaham, Georges; Roques, Nans; Kaiba, Abdellah; Guionneau, Philippe; Sutter, Jean-Pascal","Tubular crystals growth for a nanoporous hydrogen-bonded metal‒organic framework","CrystEngComm","2010","12","11","3496","","10.1039/c0ce00256a","","","0.71073","MoKα","","0.0656","0.037","","","0.0792","0.0901","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212877","10.699","0.003","16.784","0.006","10.022","0.003","90","","90","","90","","1799.7","1","373","2","373","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C16 H12 N4 O8 Zr0.5 -","- C16 H12 N4 O8 Zr0.5 -","- C64 H48 N16 O32 Zr2 -","4","1","","Mouchaham, Georges; Roques, Nans; Kaiba, Abdellah; Guionneau, Philippe; Sutter, Jean-Pascal","Tubular crystals growth for a nanoporous hydrogen-bonded metal‒organic framework","CrystEngComm","2010","12","11","3496","","10.1039/c0ce00256a","","","0.71073","MoKα","","0.074","0.0551","","","0.1359","0.151","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212878","16.387","0.004","11.486","0.003","15.506","0.004","90","","90","","90","","2918.6","1.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C36 H60 N24 O30 S2 -","- C36 H36 N24 O29 S2 -","- C72 H72 N48 O58 S4 -","2","0.25","","Liu, Li; Jiang, Xiao; Zhang, Jie","Anion-linked cucurbit[6]uril frameworks formed by microwave-assisted synthesis in ionic liquids","CrystEngComm","2010","12","11","3445","","10.1039/c0ce00265h","","","0.71073","MoKα","","0.1042","0.0798","","","0.218","0.2462","","","","","","0.942","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212879","15.9736","0.0019","11.594","0.0013","14.9519","0.0017","90","","90","","90","","2769.1","0.6","293","2","293","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C36 H58 B2 F8 N24 O22 -","- C36 H36 B2 F8 N24 O22 -","- C72 H72 B4 F16 N48 O44 -","2","0.25","","Liu, Li; Jiang, Xiao; Zhang, Jie","Anion-linked cucurbit[6]uril frameworks formed by microwave-assisted synthesis in ionic liquids","CrystEngComm","2010","12","11","3445","","10.1039/c0ce00265h","","","0.71073","MoKα","","0.1213","0.0672","","","0.1651","0.1921","","","","","","0.954","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212880","16.1459","0.0019","19.2618","0.0015","9.9376","0.0012","90","","124.97","0.004","90","","2532.6","0.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","((Mn(phen))2(SnS4))n.nH2O","{[Mn(phen)]2(SnS4)}n.nH2O","","- C24 H18 Mn2 N4 O S4 Sn -","- C24 H18 Mn2 N4 O S4 Sn -","- C96 H72 Mn8 N16 O4 S16 Sn4 -","4","0.5","","Liu, Guang-Ning; Guo, Guo-Cong; Chen, Feng; Guo, Sheng-Ping; Jiang, Xiao-Ming; Yang, Chen; Wang, Ming-Sheng; Wu, Mei-Feng; Huang, Jin-Shun","Stabilization of (SnS4)4− anion by coordinating to [TM(π-conjugated-ligand)m]n+ complex: a chain-like thiostannate(iv) {[Mn(phen)]2(SnS4)}n·nH2O exhibiting an unprecedented link mode of the (SnS4)4− anion","CrystEngComm","2010","12","12","4035","","10.1039/c0ce00292e","","","0.71073","MoKα","","0.0306","0.0249","","","0.0564","0.0594","","","","","","0.995","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212881","11.965","0.003","13.81","0.004","17.296","0.004","76.003","0.011","78.762","0.01","71.809","0.01","2612.3","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H36 N6 Ni2 O S20 -","- C35 H36 N6 Ni2 O S20 -","- C70 H72 N12 Ni4 O2 S40 -","2","1","","Jayanty, Subbalakshmi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Highly polar 7,7-bis(N,N-dimethylpiperazinium)-8,8-dicyanoquinodimethane in [Ni(dmit)2]− salt: crystal structure and magnetic properties","CrystEngComm","2010","12","12","4087","","10.1039/c0ce00322k","","","0.71075","MoKα","","","0.0317","","","","0.051","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212882","9.953","0.0009","12.2882","0.0011","14.1263","0.0012","89.826","0.001","76.541","0.001","75.689","0.001","1625.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Cu2 N5 O16 -","- C31 H27 Cu2 N5 O16 -","- C62 H54 Cu4 N10 O32 -","2","1","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0277","0.0248","","","0.0692","0.0713","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212883","24.803","0.0017","17.609","0.0019","16.024","0.003","90","","96.585","0.002","90","","6952.4","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cu2 N5 O17.5 -","- C33 H30 Cu2 N5 O17.5 -","- C264 H240 Cu16 N40 O140 -","8","2","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0779","0.0438","","","0.0988","0.1135","","","","","","1.017","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212884","15.458","0.002","15.89","0.002","11.43","0.001","90","","99.318","0.004","90","","2770.5","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Cu4 O42 -","- C42 H52 Cu4 O42 -","- C84 H104 Cu8 O84 -","2","0.25","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0314","0.0281","","","0.0725","0.0749","","","","","","1.097","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212885","8.521","0.002","10.161","0.002","21.849","0.003","90","","97.554","0.002","90","","1875.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl Cu N3 O7 -","- C17 H20 Cl Cu N3 O7 -","- C68 H80 Cl4 Cu4 N12 O28 -","4","1","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0454","0.0396","","","0.097","0.0999","","","","","","1.189","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212886","4.9663","0.0017","9.909","0.003","10.491","0.004","94.104","0.006","94.908","0.006","97.222","0.006","508.5","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H10 Cu O10 -","- C7 H10 Cu O10 -","- C14 H20 Cu2 O20 -","2","1","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.0301","0.0257","","","0.065","0.0675","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212887","5.1607","0.0003","5.8504","0.0003","14.517","0.0007","100.254","0.003","95.11","0.003","90.761","0.003","429.4","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Ni O16 -","- C14 H14 Ni O16 -","- C14 H14 Ni O16 -","1","0.5","","Fainerman-Melnikova, Marina; Clegg, Jack K.; Pakchung, Amalie A. H.; Jensen, Paul; Codd, Rachel","Structural diversity of complexes between Cu(ii) or Ni(ii) and endocyclic oxygen- or nitrogen-containing ligands: synthesis, X-ray structure determinations and circular dichroism spectra","CrystEngComm","2010","12","12","4217","","10.1039/c0ce00323a","","","0.71073","MoKα","","0.045","0.0325","","","0.0652","0.0693","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212888","9.8604","0.0015","14.374","0.002","10.3111","0.0016","90","","95.065","0.003","90","","1455.7","0.4","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N16 O8 Zn2 -","- C20 H28 N16 O8 Zn2 -","- C40 H56 N32 O16 Zn4 -","2","1","","Liang, Xiao-Qiang; Jia, Jiang-Tao; Wu, Tao; Li, Dong-Ping; Liu, Lei; Tsolmon,; Zhu, Guang-Shan","A spontaneously resoluted zinc‒organic framework with nonlinear optical and ferroelectric properties generated from tetrazolate-ethyl ester ligand","CrystEngComm","2010","12","11","3499","","10.1039/c0ce00329h","","","0.71073","MoKα","","0.0583","0.0553","","","0.1428","0.1441","","","","","","1.098","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212889","7.227","0.003","10.992","0.004","13.404","0.006","79.213","0.019","79.168","0.019","74.06","0.018","995.2","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 Au2 Fe N6 O -","- C17 H15 Au2 Fe N6 O -","- C34 H30 Au4 Fe2 N12 O2 -","2","1","","Xu, Haitao; Juhász, Gergely; Yoshizawa, Kazunari; Takahashi, Masashi; Kanegawa, Shinji; Sato, Osamu","Mixed-metal complex [Fe(bipe)(Au(CN)2)2·MeOH] with gold clusters: a novel two-dimensional polyrotaxane net clipped by aurophilic interaction","CrystEngComm","2010","12","12","4031","","10.1039/c0ce00376j","","","0.7107","MoKα","","0.0253","0.0245","","","0.0624","0.0633","","","","","","1.104","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212890","9.5298","0.0002","17.3699","0.0004","10.4197","0.0003","90","","94.017","0.001","90","","1720.55","0.07","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","artemisinin-resorcinol 2/1","artemisinin-resorcinol 2/1","","- C36 H50 O12 -","- C36 H50 O12 -","- C72 H100 O24 -","2","1","","Karki, Shyam; Friščić, Tomislav; Fábián, László; Jones, William","New solid forms of artemisinin obtained through cocrystallisation","CrystEngComm","2010","12","12","4038","","10.1039/c0ce00428f","","","0.71073","MoKα","","0.0421","0.0385","","","0.0984","0.1016","","","","","","1.036","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212891","9.0658","0.0001","14.1061","0.0003","16.5554","0.0003","90","","90","","90","","2117.16","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","artemisinin-orcinol 1/1","artemisinin-orcinol 1/1","","- C22 H30 O7 -","- C22 H30 O7 -","- C88 H120 O28 -","4","1","","Karki, Shyam; Friščić, Tomislav; Fábián, László; Jones, William","New solid forms of artemisinin obtained through cocrystallisation","CrystEngComm","2010","12","12","4038","","10.1039/c0ce00428f","","","0.71073","MoKα","","0.0723","0.0475","","","0.1076","0.1205","","","","","","1.032","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212892","6.8664","0.0005","12.4548","0.0012","23.4659","0.001","90","","90","","90","","2006.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((R)-1-phenylethylammonium).((2S)-[2-(4-isobutylphenyl)propanoate])","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0685","0.0519","","","0.1332","0.1461","","","","","","1.078","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212893","5.881","0.0005","15.259","0.0006","22.318","0.002","90","","90","","90","","2002.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((S)-1-phenylethylammonium).((2S)-[2-(4-isobutylphenyl)propanoate])","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0864","0.0676","","","0.157","0.1703","","","","","","1.098","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212894","12.499","0.005","6.8934","0.0015","13.411","0.006","90","","113.73","0.03","90","","1057.8","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","((R)-1-phenylethylammonium).(2-(2-(2,6-dichlorophenylamino)phenyl)acetate)","","- C22 H22 Cl2 N2 O2 -","- C22 H22 Cl2 N2 O2 -","- C44 H44 Cl4 N4 O4 -","2","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0353","0.029","","","0.0662","0.0691","","","","","","1.022","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212895","12.4158","0.0006","5.5535","0.0002","28.1619","0.0014","90","","94.203","0.002","90","","1936.57","0.15","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","((R)-1-phenylethylammonium)). (2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate)","","- C21 H20 F3 N3 O2 -","- C21 H20 F3 N3 O2 -","- C84 H80 F12 N12 O8 -","4","2","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0539","0.0423","","","0.0985","0.1045","","","","","","0.992","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212896","50.411","0.0007","50.411","0.0007","48.082","0.0006","90","","90","","90","","122189","3","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C288 H342.38 Cu3 N24 Na20 O159.26 S16 -","- C287 H204 Cu3 N24 Na20 O106 S16 -","- C2296 H1632 Cu24 N192 Na160 O848 S128 -","8","0.5","","De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano","A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion","CrystEngComm","2010","12","12","4056","","10.1039/c0ce00440e","","","1","","","0.1242","0.1023","","","0.2637","0.2839","","","","","","1.053","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7212897","49.63","0.0007","49.63","0.0007","49.49","0.0006","90","","90","","90","","121901","3","100","2","100","2","","","","","","","","9","I 41/a :2","-I 4ad","88","","","","- C288 H266 Cl4 Cu3 N24 Na16 O169 S16 Zn4 -","- C288 H204 Cl4 Cu3 N24 Na16 O118.2 S16 Zn4 -","- C2304 H1632 Cl32 Cu24 N192 Na128 O945.6 S128 Zn32 -","8","0.5","","De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano","A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion","CrystEngComm","2010","12","12","4056","","10.1039/c0ce00440e","","","1","","","0.1137","0.0867","","","0.2337","0.2625","","","","","","0.985","","","","has coordinates,has disorder","290444","2024-03-12","09:55:30",""
"7212898","50.17","0.004","50.17","0.004","49.46","0.002","90","","90","","90","","124492","15","293","2","293","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C280 H418.26 Cu3 N24 Na12.8 Ni3.6 O201.12 S16 -","- C280 H204 Cu3 N24 Na12.8 Ni3.6 O110 S16 -","- C2240 H1632 Cu24 N192 Na102.4 Ni28.8 O880 S128 -","8","0.5","","De Zorzi, Rita; Guidolin, Nicol; Randaccio, Lucio; Geremia, Silvano","A bifunctionalized porous material containing discrete assemblies of copper-porphyrins and calixarenes metallated by ion diffusion","CrystEngComm","2010","12","12","4056","","10.1039/c0ce00440e","","","1","","","0.1523","0.1287","","","0.3237","0.353","","","","","","1.296","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7212899","9.781","0.002","11.905","0.002","15.22","0.003","96.5","0.03","99.07","0.03","112.41","0.03","1588.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H56 N18 O30 Zn7 -","- C44 H32 N18 O30 Zn7 -","- C44 H32 N18 O30 Zn7 -","1","0.5","","Qin, Jie; Qin, Chao; Wang, Cui-Xia; Li, Huan; Cui, Ling; Li, Ting-Ting; Wang, Xin-Long","A lacuna in reticular chemistry: an unprecedented binodal (6,10)-connected network based on two distinct zinc clusters","CrystEngComm","2010","12","12","4071","","10.1039/c0ce00582g","","","0.71073","MoKα","","0.0481","0.0403","","","0.11","0.1153","","","","","","1.033","","","","has coordinates,has disorder","180459","2020-10-21","18:00:00",""
"7212900","9.9244","0.0012","10.369","0.0015","4.038","0.0006","90","","90","","90","","415.53","0.1","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","L-isoserine","","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Dobrowolski, Jan Cz; Jamróz, Michał H; Kołos, Robert; Rode, Joanna E.; Cyrański, Michał K; Sadlej, Joanna","IR low-temperature matrix, X-ray and ab initio study on L-isoserine conformations.","Physical chemistry chemical physics : PCCP","2010","12","36","10818","10830","10.1039/c0cp00016g","","","0.71073","MoKα","","0.0235","0.0229","","","0.0622","0.0625","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212901","6.6681","0.0002","21.4324","0.0006","9.898","0.0003","90","","102.551","0.002","90","","1380.75","0.07","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3,5-diflurophenyl tert-butyl boronic azaester","6-tert-butyl-2-(3',5'-difluorophenyl)-(N-B)-1,3,6,2-dioxazaborocan","","- C14 H20 B F2 N O2 -","- C14 H20 B F2 N O2 -","- C56 H80 B4 F8 N4 O8 -","4","1","","Durka, Krzysztof; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","On the nature of the B...N interaction and the conformational flexibility of arylboronic azaesters.","Physical chemistry chemical physics : PCCP","2010","12","40","13126","13136","10.1039/c0cp00030b","","x-ray","0.71073","MoKα","","0.0564","0.0384","","","0.1138","0.1304","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212902","6.6681","0.0002","21.4324","0.0006","9.898","0.0003","90","","102.551","0.002","90","","1380.75","0.07","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3,5-diflurophenyl tert-butyl boronic azaester","6-tert-butyl-2-(3',5'-difluorophenyl)-(N-B)-1,3,6,2-dioxazaborocan","","- C14 H20 B F2 N O2 -","- C14 H20 B F2 N O2 -","- C56 H80 B4 F8 N4 O8 -","4","1","","Durka, Krzysztof; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","On the nature of the B...N interaction and the conformational flexibility of arylboronic azaesters.","Physical chemistry chemical physics : PCCP","2010","12","40","13126","13136","10.1039/c0cp00030b","","x-ray","0.71073","MoKα","","0.04","0.02","","","","0.048","0.022","","","","","1.191","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212903","8.9347","0.0016","12.25","0.002","16.332","0.003","90","","90","","90","","1787.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl N2 O -","- C19 H23 Cl N2 O -","- C76 H92 Cl4 N8 O4 -","4","1","","Clayden, Jonathan; Hennecke, Ulrich; Vincent, Mark A.; Hillier, Ian H.; Helliwell, Madeleine","The origin of the conformational preference of N,N'-diaryl-N,N'-dimethyl ureas.","Physical chemistry chemical physics : PCCP","2010","12","45","15056","15064","10.1039/c0cp00571a","","","0.71073","MoKα","","0.0462","0.0404","","","0.0929","0.0949","","","","","","1.059","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212904","17.489","0.004","7.8855","0.0016","14.54","0.003","90","","108.37","0.03","90","","1903","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-tert-Butyl-2,6-bis(2'-thienyl)dithieno(3,2-b:2',3'-d)pyrrole","N-tert-Butyl-2,6-bis(2'-thienyl)dithieno[3,2-b:2',3'-d]pyrrole","","- C20 H17 N S4 -","- C20 H17 N S4 -","- C80 H68 N4 S16 -","4","1","","Mo, Hong; Radke, Karla R.; Ogawa, Katsu; Heth, Christopher L.; Erpelding, Brett T.; Rasmussen, Seth C.","Solution and solid-state properties of highly fluorescent dithieno[3,2-b:2',3'-d]pyrrole-based oligothiophenes.","Physical chemistry chemical physics : PCCP","2010","12","43","14585","14595","10.1039/c0cp00970a","","","0.71073","MoKα","","0.1027","0.0386","","","0.0814","0.0877","","","","","","1.003","","","","has coordinates,has disorder","180460","2020-10-21","18:00:00",""
"7212905","9.432573","0.000222","9.432573","0.000222","6.883337","0.000169","90","","90","","120","","530.38","0.02","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ca9.8 Cd0.2 O26 P6 -","- Ca9.802 Cd0.198 O26 P6 -","- Ca9.802 Cd0.198 O26 P6 -","1","0.0833333","","Terra, J.; Gonzalez, G. B.; Rossi, A. M.; Eon, J. G.; Ellis, D. E.","Theoretical and experimental studies of substitution of cadmium into hydroxyapatite.","Physical chemistry chemical physics : PCCP","2010","12","47","15490","15500","10.1039/c0cp01032d","powder diffraction","","0.13846","Synchrotron","","","","","","","","","1.9171","1.1198","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212906","9.422709","0.000213","9.422709","0.000213","6.865845","0.000162","90","","90","","120","","527.93","0.02","298","","298","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ca8.77 Cd1.23 O26 P6 -","- Ca8.778 Cd1.222 O26 P6 -","- Ca8.778 Cd1.222 O26 P6 -","1","0.0833333","","Terra, J.; Gonzalez, G. B.; Rossi, A. M.; Eon, J. G.; Ellis, D. E.","Theoretical and experimental studies of substitution of cadmium into hydroxyapatite.","Physical chemistry chemical physics : PCCP","2010","12","47","15490","15500","10.1039/c0cp01032d","powder diffraction","","0.13846","Synchrotron","","","","","","","","","1.6859","1.1167","","","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212907","9.3439","0.0008","13.2412","0.0011","15.8279","0.0013","90","","90","","90","","1958.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 S -","- C20 H26 O4 S -","- C80 H104 O16 S4 -","4","1","","Rosini, Goffredo; Paolucci, Claudio; Boschi, Francesca; Marotta, Emanuela; Righi, Paolo; Tozzi, Francesco","Acid promoted CIDT for the deracemization of dihydrocinnamic aldehydes with Betti's base","Green Chemistry","2010","12","10","1747","","10.1039/c0gc00013b","","","0.71073","MoKα","","0.0406","0.0355","","","0.0934","0.0988","","","","","","1.095","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212908","14.6241","0.0013","20.681","0.002","8.745","0.0011","90","","90.538","0.001","90","","2644.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 F2 N2 O6 S -","- C26 H26 F2 N2 O6 S -","- C104 H104 F8 N8 O24 S4 -","4","1","","Ma, Ning; Jiang, Bo; Zhang, Ge; Tu, Shu-Jiang; Wever, Walter; Li, Guigen","New multicomponent domino reactions (MDRs) in water: highly chemo-, regio- and stereoselective synthesis of spiro{[1,3]dioxanopyridine}-4,6-diones and pyrazolo[3,4-b]pyridines","Green Chemistry","2010","12","8","1357","","10.1039/c0gc00073f","","","0.71073","MoKα","","0.2589","0.0896","","","0.1396","0.1761","","","","","","1.038","","","","has coordinates,has disorder","180460","2020-10-21","18:00:00",""
"7212909","10.4612","0.0002","11.6733","0.0002","15.4745","0.0002","80.696","0.001","70.225","0.001","83.182","0.001","1750.69","0.05","293","2","293","2","","","","","","","synthesis","8","P -1","-P 1","2","","","","- C20 H44 Cu F6 N8 O4 P5 S2 -","- C20 H44 Cu F6 N8 O4 P5 S2 -","- C40 H88 Cu2 F12 N16 O8 P10 S4 -","2","1","","García-Álvarez, Joaquín; Díez, Josefina; Gimeno, José","A highly efficient copper(i) catalyst for the 1,3-dipolar cycloaddition of azides with terminal and 1-iodoalkynes in water: regioselective synthesis of 1,4-disubstituted and 1,4,5-trisubstituted 1,2,3-triazoles","Green Chemistry","2010","12","12","2127","","10.1039/c0gc00342e","","","0.71073","MoKα","","0.0516","0.042","","","0.1269","0.1444","","","","","","1.166","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212910","14.5177","0.0002","7.2359","0.0001","14.3593","0.0002","90","","101.588","0.002","90","","1477.68","0.04","100","2","100","2","","","","","","","synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 I N3 S -","- C15 H12 I N3 S -","- C60 H48 I4 N12 S4 -","4","1","","García-Álvarez, Joaquín; Díez, Josefina; Gimeno, José","A highly efficient copper(i) catalyst for the 1,3-dipolar cycloaddition of azides with terminal and 1-iodoalkynes in water: regioselective synthesis of 1,4-disubstituted and 1,4,5-trisubstituted 1,2,3-triazoles","Green Chemistry","2010","12","12","2127","","10.1039/c0gc00342e","","","1.54184","CuKα","","0.043","0.0357","","","0.0959","0.1016","","","","","","1.038","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212911","35.238","0.003","35.238","0.003","8.3319","0.0015","90","","90","","120","","8959.8","1.9","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","Ethyl 10-benzoyl-7-hydroxy-7-(trifluoromethyl)- 1,2,3,4,5,7,8,9-octahydropyrido (1,2-a)(1,3)diazepine-8-carboxylate","Ethyl 10-benzoyl-7-hydroxy-7-(trifluoromethyl)-1,2,3,4,5,7,8,9-octahydropyrido [1,2-a][1,3]diazepine-8-carboxylate","","- C20 H22 F3 N2 O4.5 -","- C20 H22 F3 N2 O4.5 -","- C360 H396 F54 N36 O81 -","18","1","","Yan, Shengjiao; Chen, Yulan; Liu, Lin; He, Nengqin; Lin, Jun","Three-component solvent-free synthesis of highly substituted bicyclic pyridines containing a ring-junction nitrogen","Green Chemistry","2010","12","11","2043","","10.1039/c0gc00373e","","","0.71073","MoKα","","0.1294","0.056","","","0.1364","0.176","","","","","","0.952","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7212939","3.970162","0.000095","5.67111","0.00019","5.69467","0.00019","90","","90","","90","","128.217","0.007","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.7 Na0.3 Nb O3 -","- K0.7016 Na0.2984 Nb0.5 O3 -","- K1.4032 Na0.5968 Nb O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.277","2.12","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212940","3.96867","0.00014","5.67069","0.00028","5.69626","0.00029","90","","90","","90","","128.195","0.01","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.7 Na0.3 Nb O3 -","- K0.832 Na0.168 Nb0.5 O3 -","- K1.664 Na0.336 Nb O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.243","1.78","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212941","3.97024","0.00026","5.662","0.00055","5.68624","0.00056","90","","90","","90","","127.82","0.02","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.7 Na0.3 Nb O3 -","- K0.713 Na0.287 Nb O3 -","- K1.426 Na0.574 Nb2 O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.582","1.42","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212942","3.96136","0.00046","5.65428","0.00076","5.68474","0.00086","90","","90","","90","","127.33","0.03","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.7 Na0.3 Nb O3 -","- K0.76 Na0.24 Nb O3 -","- K1.52 Na0.48 Nb2 O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.285","1.49","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212943","3.98381","0.00011","5.689","0.00019","5.70757","0.00019","90","","90","","90","","129.356","0.007","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.93 Na0.07 Nb O3 -","- K0.999489 Na0.000511376 Nb O3 -","- K1.99898 Na0.00102275 Nb2 O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","2.441","1.97","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212944","3.981973","0.00008","5.68731","0.00014","5.70733","0.00014","90","","90","","90","","129.252","0.005","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.903 Na0.097 Nb O3 -","- K0.8745 Na0.1255 Nb O2.8642 -","- K1.749 Na0.251 Nb2 O5.7284 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","2.293","3.05","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212945","3.977443","0.000091","5.68725","0.00017","5.70678","0.00016","90","","90","","90","","129.091","0.006","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.86 Na0.14 Nb O3 -","- K0.8578 Na0.1422 Nb O2.806 -","- K1.7156 Na0.2844 Nb2 O5.612 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.67","1.72","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212946","3.973479","0.000059","5.68046","0.00011","5.70266","0.00011","90","","90","","90","","128.716","0.004","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.84 Na0.16 Nb O3 -","- K0.8393 Na0.1607 Nb O2.806 -","- K1.6786 Na0.3214 Nb2 O5.612 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.805","1.91","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212947","3.973479","0.000059","5.68046","0.00011","5.70266","0.00011","90","","90","","90","","128.716","0.004","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.83 Na0.17 Nb O3 -","- K0.8354 Na0.1746 Nb O3 -","- K1.6708 Na0.3492 Nb2 O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.833","1.91","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212948","3.972623","0.000059","5.68015","0.0001","5.7037","0.0001","90","","90","","90","","128.705","0.004","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.77 Na0.23 Nb O3 -","- K0.7714 Na0.2285 Nb O3 -","- K1.5428 Na0.457 Nb2 O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.842","2.81","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212949","3.97304","0.00011","5.67576","0.0002","5.69703","0.00019","90","","90","","90","","128.468","0.007","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.73 Na0.27 Nb O3 -","- K0.7619 Na0.2381 Nb0.5 O3 -","- K1.5238 Na0.4762 Nb O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.523","1.25","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212950","3.970626","0.000088","5.67573","0.00017","5.69855","0.00017","90","","90","","90","","128.424","0.006","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.75 Na0.25 Nb O3 -","- K0.7549 Na0.245 Nb0.5 O3 -","- K1.5098 Na0.49 Nb O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.604","1.24","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212951","3.96953","0.00011","5.6731","0.00021","5.69719","0.00021","90","","90","","90","","128.298","0.008","300","","","","","","","","","","","4","A m m 2","A 2 -2","38","","Sodium Potassium Niobate","Niobate Perovskite","- K0.72 Na0.28 Nb O3 -","- K0.725 Na0.275 Nb0.5 O3 -","- K1.45 Na0.55 Nb O6 -","2","0.25","","Handoko, Albertus D.; Goh, Gregory K. L.","Hydrothermal synthesis of sodium potassium niobate solid solutions at 200 °C","Green Chemistry","2010","12","4","680","","10.1039/b923840a","powder diffraction","","1.78899","CoKα","","","","","","","","","1.411","1.32","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216609","21.2208","0.0004","21.2265","0.0004","42.2475","0.0006","90","","90","","90","","19030.1","0.6","198","2","198","2","","","","","","","","4","I b c a","-I 2b 2c","73","","","","- C64 H90 Mn12 O49 -","- C64 H88 Mn12 O49 -","- C512 H704 Mn96 O392 -","8","0.5","","Ruiz-Molina, Daniel; Gerbier, Philippe; Rumberger, Evan; Amabilino, David B.; Guzei, Ilia A.; Folting, Kirsten; Huffman, John C.; Rheingold, Arnold; Christou, George; Veciana, Jaume; Hendrickson, David N.","Characterisation of nanoscopic [Mn12O12(O2CR)16(H2O)4] single-molecule magnets: physicochemical properties and LDI- and MALDI-TOF mass spectrometryLDI- and MALDI-TOF are acronyms for Laser Desorption/Ionisation and Matrix Assisted Laser Desorption/Ionisation Time-of-Flight.","Journal of Materials Chemistry","2002","12","4","1152","","10.1039/b104607c","","","0.71073","MoKα","","0.1126","0.0777","","","0.2138","0.2432","","","","","","1.631","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216610","12.455","0.003","13.057","0.003","16.84","0.003","100.13","0.03","102.79","0.03","100.41","0.03","2559.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H35 Mo12 N6 O53 P -","- C12 H27 Mo12 N6 O53 P -","- C24 H54 Mo24 N12 O106 P2 -","2","1","","Han, Zhengbo; Wang, Enbo; Luan, Guoyou; Li, Yangguang; Zhang, Hong; Duan, Yingbo; Hu, Changwen; Hu, Ninghai","Synthesis, properties and structural characterization of an intermolecular photosensitive complex: (HGly-Gly)3PMo12O40·4H2O","Journal of Materials Chemistry","2002","12","4","1169","","10.1039/b107225k","","","0.71073","MoKα","","0.0445","0.0347","","0.0982","0.0955","","","","1.079","1.176","1.176","","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216611","6.91","0.002","11.91","0.003","19.481","0.005","90","","90","","90","","1603.2","0.7","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N2 O5 -","- C16 H21 N2 O5 -","- C64 H84 N8 O20 -","4","1","","Minguet, Maria; Amabilino, David B.; Vidal-Gancedo, José; Wurst, Klaus; Veciana, Jaume","Racemic and enantiomerically pure phenyl α-nitronyl nitroxide radicals: influence of chirality on solution and solid state propertiesElectronic supplementary information (ESI) available: figures showing alternative views of the crystal structures and the shortest distances between SOMOs in the crystals. See http://www.rsc.org/suppdata/jm/b1/b106239p/","Journal of Materials Chemistry","2002","12","3","570","","10.1039/b106239p","","","0.71073","MoKα","","0.0413","0.0322","","0.0776","0.0728","","","","1.055","1.085","1.085","","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216612","8.5129","0.0005","9.4113","0.0007","10.482","0.0008","85.847","0.003","76.415","0.004","79.503","0.004","802.25","0.1","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N2 O5 -","- C16 H21 N2 O5 -","- C32 H42 N4 O10 -","2","1","","Minguet, Maria; Amabilino, David B.; Vidal-Gancedo, José; Wurst, Klaus; Veciana, Jaume","Racemic and enantiomerically pure phenyl α-nitronyl nitroxide radicals: influence of chirality on solution and solid state propertiesElectronic supplementary information (ESI) available: figures showing alternative views of the crystal structures and the shortest distances between SOMOs in the crystals. See http://www.rsc.org/suppdata/jm/b1/b106239p/","Journal of Materials Chemistry","2002","12","3","570","","10.1039/b106239p","","","0.71073","MoKα","","0.0542","0.043","","0.1111","0.1037","","","","1.041","1.082","1.082","","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216613","8.307","0.003","10.366","0.003","20.439","0.004","90","","97.11","0.02","90","","1746.5","0.9","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N2 O5 -","- C17 H23 N2 O5 -","- C68 H92 N8 O20 -","4","1","","Minguet, Maria; Amabilino, David B.; Vidal-Gancedo, José; Wurst, Klaus; Veciana, Jaume","Racemic and enantiomerically pure phenyl α-nitronyl nitroxide radicals: influence of chirality on solution and solid state propertiesElectronic supplementary information (ESI) available: figures showing alternative views of the crystal structures and the shortest distances between SOMOs in the crystals. See http://www.rsc.org/suppdata/jm/b1/b106239p/","Journal of Materials Chemistry","2002","12","3","570","","10.1039/b106239p","","","0.71073","MoKα","","0.0572","0.0445","","0.1194","0.1098","","","","1.047","1.088","1.088","","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7217892","9.426","0.003","18.856","0.005","6.887","0.001","90","","90","","119.97","0.01","1060.4","0.5","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","Pentacalcium tris(phosphate(V)) hydroxide","","- Ca5 H O13 P3 -","- Ca20 O52 P12 -","- Ca20 O52 P12 -","","","","Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau","Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy","CrystEngComm","2010","12","10","3318","3326","10.1039/c001754j","","","","","","0.0541","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217893","19.692","0.004","9.523","0.002","6.835","0.002","90.15","0.02","92.54","0.02","108.65","0.01","1213.1","0.5","","","","","","","","","","","","4","P -1","-P 1","2","","Octacalcium bis(hydrogenphosphate) tetrakis(phosphate) pentahydrate","","- Ca8 H12 O29 P6 -","- Ca16 H24 O58 P12 -","- Ca16 H24 O58 P12 -","","","","Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau","Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy","CrystEngComm","2010","12","10","3318","3326","10.1039/c001754j","","","","","","0.0541","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7217894","9.4232","0.0002","9.4232","0.0002","6.8833","0.0002","90","","90","","120","","529.33","0.02","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Calcium phosphate(V) hydroxide (10.08/5.9/2.32)","","- Ca10.084 H3.39 O27.15 P5.94 -","- Ca10.084 H2.556 O27.148 P5.94 -","- Ca10.084 H2.556 O27.148 P5.94 -","","","","Espanol, Montserrat; Portillo, Joaquim; Manero, Jose-Maria; Ginebra, Maria-Pau","Investigation of the hydroxyapatite obtained as hydrolysis product of α-tricalcium phosphate by transmission electron microscopy","CrystEngComm","2010","12","10","3318","3326","10.1039/c001754j","","","","","","0.0604","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7222155","8.511","","8.511","","20.843","","90","","90","","120","","1307.53","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Li Ti2 (P O4)3","","- Li O12 P3 Ti2 -","- Li O12 P3 Ti2 -","- Li6 O72 P18 Ti12 -","6","0.166667","","Aatiq, A.; Menetrier, M.; Croguennec, L.; Suard, E.; Delmas, C.","On the structure of Li3 Ti2 (P O4)3","Journal of Materials Chemistry","2002","12","","2971","2978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222156","8.3828","","8.3828","","22.873","","90","","90","","120","","1391.98","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li3.18 Ti2 (P O4)3","","- Li3.18 O12 P3 Ti2 -","- Li3.18 O12 P3 Ti2 -","- Li19.08 O72 P18 Ti12 -","6","0.333333","","Aatiq, A.; Menetrier, M.; Croguennec, L.; Suard, E.; Delmas, C.","On the structure of Li3 Ti2 (P O4)3","Journal of Materials Chemistry","2002","12","","2971","2978","","","","","","","","","","","","","","","","","","","","","","has coordinates","156360","2020-10-21","18:00:00",""
"7222157","3.77696","","3.77696","","14.1026","","90","","90","","90","","201.18","","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","La Sr (Mn O4) F","","- F La Mn O4 Sr -","- F La Mn O4 Sr -","- F2 La2 Mn2 O8 Sr2 -","2","0.125","","Aikens, L.D.; Gillie, L.J.; Li, R.-K.; Greaves, C.","Staged fluorine insertion into manganese oxides with Ruddlesden- Popper structures: La Sr Mn O4 F and La1.2 Sr1.8 Mn2 O7 F","Journal of Materials Chemistry","2002","12","","264","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222158","3.8103","","3.8103","","21.722","","90","","90","","90","","315.368","","","","","","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","(La1.2 Sr1.8) (Mn2 O7) F","","- F La1.2 Mn2 O7 Sr1.8 -","- F La1.2 Mn2 O7 Sr1.8 -","- F2 La2.4 Mn4 O14 Sr3.6 -","2","0.125","","Aikens, L.D.; Gillie, L.J.; Li, R.-K.; Greaves, C.","Staged fluorine insertion into manganese oxides with Ruddlesden- Popper structures: La Sr Mn O4 F and La1.2 Sr1.8 Mn2 O7 F","Journal of Materials Chemistry","2002","12","","264","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222159","3.86042","","3.86042","","15.6834","","90","","90","","90","","233.727","","","","","","","","","","","","","4","I 4 m m","I 4 -2","107","","Bi2 V O5 F","","- Bi2 F O5 V -","- Bi2 F O5 V -","- Bi4 F2 O10 V2 -","2","0.125","","Akopjan, A.V.; Serov, T.V.; Ardashnikova, E.I.; Dolgikh, V.A.; Lightfoot, P.","A new anion conductive bismuth-vanadium oxyfluoride","Journal of Materials Chemistry","2002","12","","1490","1494","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222161","3.5316","","3.5316","","14.555","","90","","90","","120","","157.212","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Cd (C N2)","","- C Cd N2 -","- C Cd N2 -","- C3 Cd3 N6 -","3","0.0833333","","Baldinozzi, G.; Malinowska, B.; Rakib, M.; Durand, G.","Crystal structure and characterisation of cadmium cyanamide","Journal of Materials Chemistry","2002","12","","268","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222163","5.9141","","5.9141","","20.831","","90","","90","","90","","728.597","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Ba La2 (In2 O7)","","- Ba In2 La2 O7 -","- Ba In2 La2 O7 -","- Ba4 In8 La8 O28 -","4","0.25","","Caldes, M.; Michel, C.; Rouillon, T.; Raveau, B.; Hervieu, M.","Novel indates Ln2 Ba In2 O7, n=2 members of the Ruddlesden-Popper family (Ln = La, Nd)","Journal of Materials Chemistry","2002","12","","473","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222176","8.3009","","8.3009","","22.502","","90","","90","","120","","1342.77","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li3 Fe2 (P O4)3","","- Fe2 Li3 O12 P3 -","- Fe2 Li3 O12 P3 -","- Fe12 Li18 O72 P18 -","6","0.333333","","Eyob, P.; Thomas, J.O.; Andersson, A.S.","A neutron powder diffraction study of electrochemically lithiated R - (Li3+x Fe2 (P O4)3) for x = 1.8","Journal of Materials Chemistry","2002","12","","2343","2347","","","","","","","","","","","","","","","","","","","","","","has coordinates","156849","2020-10-21","18:00:00",""
"7222177","8.288","","8.288","","22.542","","90","","90","","120","","1340.98","","","","","","","","","","","","","4","R -3 :H","-R 3","148","","Li4.8 Fe2 (P O4)3","","- Fe2 Li4.8 O12 P3 -","- Fe2 Li4.8 O12 P3 -","- Fe12 Li28.8 O72 P18 -","6","0.333333","","Eyob, P.; Andersson, A.S.; Thomas, J.O.","A neutron powder diffraction study of electrochemically lithiated R- (Li3+x Fe2 (P O4)3) for x = 1.8","Journal of Materials Chemistry","2002","12","","2343","2347","","","","","","","","","","","","","","","","","","","","","","has coordinates","156851","2020-10-21","18:00:00",""
"7222184","9.1815","","9.1815","","9.1815","","90","","90","","90","","774","","","","","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","Na4 (Sn3 O8)","","- Na4 O8 Sn3 -","- Na4 O8 Sn3 -","- Na16 O32 Sn12 -","4","0.166667","","Iwasaki, M.; Takizawa, H.; Endo, T.; Uheda, K.","Synthesis and crystal structure of Na4 Sn3 O8","Journal of Materials Chemistry","2002","12","","1068","1070","","","","","","","","","","","","","","","","","","","","","","has coordinates","157108","2020-10-21","18:00:00",""
"7222187","5.494","","5.4618","","22.4111","","90","","90","","90","","672.493","","","","","","","","","","","","","5","P 2 a n","P -2ab 2","30","","Bi5 Pb Ti3 O14 Cl","","- Bi5 Cl O14 Pb Ti3 -","- Bi4.998 Cl O14 Pb1.002 Ti3 -","- Bi9.996 Cl2 O28 Pb2.004 Ti6 -","2","0.5","","Kusainova, A.M.; Stefanovich, S.Yu.; Irvine, J.T.S.; Lightfoot, P.","Structure-property correlations in the new ferroelectric Bi5 Pb Ti3 O14 Cl and related layered oxyhalide intergrowth phases","Journal of Materials Chemistry","2002","12","","3413","3418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222188","3.89371","","3.89371","","22.6747","","90","","90","","90","","343.771","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Bi5 Pb Ti3 O14 Cl","","- Bi5 Cl O14 Pb Ti3 -","- Bi4.998 Cl O14 Pb1.002 Ti3 -","- Bi4.998 Cl O14 Pb1.002 Ti3 -","1","0.0625","","Kusainova, A.M.; Stefanovich, S.Yu.; Lightfoot, P.; Irvine, J.T.S.","Structure-property correlations in the new ferroelectric Bi5 Pb Ti3 O14 Cl and related layered oxyhalide intergrowth phases","Journal of Materials Chemistry","2002","12","","3413","3418","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222189","10.5324","","10.5324","","10.5324","","90","","90","","90","","1168.37","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Na Sr Nb2 O6.5","","- Na Nb2 O6.5 Sr -","- Na Nb2 O6.5 Sr -","- Na8 Nb16 O52 Sr8 -","8","0.0416667","","Kim, J.-Y.; Chung, I.; Kim, S.-J.; Choy, J.-H.","Transformation of Dion-Jacobson-type layered oxyfluorides into new anion-deficient pyrochlore-type oxides, A Sr Nb2 O6.5 (A = Li and Na)","Journal of Materials Chemistry","2002","12","","1001","1004","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222190","6.3","","10.692","","4.995","","90","","90.47","","90","","336.45","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Li2 (Mg Si O4)","","- Li2 Mg O4 Si -","- Li2 Mg O4 Si -","- Li8 Mg4 O16 Si4 -","4","1","","Jousseaume, C.; Kahn-Harari, A.; Vivien, D.; Derouet, J.; Villain, F.; Ribot, F.","Structural and spectroscopic characterisation of Cr : Li2 Mg Si O4 (gamma0)","Journal of Materials Chemistry","2002","12","","1525","1529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222191","3.9626","","3.9626","","30.3257","","90","","90","","90","","476.18","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","K2 Sr1.5 Ta3 O10","","- K2 O10 Sr1.5 Ta3 -","- K2 O10 Sr1.5 Ta3 -","- K4 O20 Sr3 Ta6 -","2","0.0625","","le Berre, F.; Laligant, Y.; Crosnier-Lopez, M.P.; Fourquet, J.L.","Synthesis and crystal structure of K2 Sr1.5 Ta3 O10 and K2 Sr1.5 Ta3 O10 * (H2 O): two new layered perovskite compounds","Journal of Materials Chemistry","2002","12","","258","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","157270","2020-10-21","18:00:00",""
"7222192","3.9499","","3.9499","","17.031","","90","","90","","90","","265.713","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","K2 Sr1.5 Ta3 O10 (H2 O)","","- H2 K2 O11 Sr1.5 Ta3 -","- K2 O11 Sr1.5 Ta3 -","- K2 O11 Sr1.5 Ta3 -","1","0.0625","","le Berre, F.; Crosnier-Lopez, M.P.; Laligant, Y.; Fourquet, J.L.","Synthesis and crystal structure of K2 Sr1.5 Ta3 O10 and K2 Sr1.5 Ta3 O10 * (H2 O): two new layered perovskite compounds","Journal of Materials Chemistry","2002","12","","258","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","157271","2020-10-21","18:00:00",""
"7222198","3.7408","","3.7408","","9.0925","","90","","90","","90","","127.237","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Tl0.38 Sr2.62 Co O4.75","","- Co O4.75 Sr2.62 Tl0.38 -","- Co O4.75 Sr2.62 Tl0.38 -","- Co O4.75 Sr2.62 Tl0.38 -","1","0.0625","","Maignan, A.; Pelloquin, D.; Martin, C.; Hervieu, M.; Raveau, B.","A new form of oxygen deficient 1201-cobaltite (Tl0.4 Sr0.5 Co0.1) Sr2 Co O5-d: structure, transport and magnetic properties","Journal of Materials Chemistry","2002","12","","1009","1016","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222199","3.756","","3.756","","9.0217","","90","","90","","90","","127.274","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Tl0.39 Sr2.61 Co O5.1","","- Co O5.1 Sr2.61 Tl0.39 -","- Co O5.1 Sr2.61 Tl0.39 -","- Co O5.1 Sr2.61 Tl0.39 -","1","0.0625","","Maignan, A.; Pelloquin, D.; Martin, C.; Hervieu, M.; Raveau, B.","A new form of oxygen deficient 1201-cobaltite (Tl0.4 Sr0.5 Co0.1) Sr2 Co O5-d: structure, transport and magnetic properties","Journal of Materials Chemistry","2002","12","","1009","1016","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222200","7.4812","","18.1849","","3.741","","90","","90","","90","","508.944","","","","","","","","","","","","","4","C m m 2","C 2 -2","35","","Tl0.47 Sr2.53 Co O4.8","","- Co O4.8 Sr2.53 Tl0.47 -","- Co O4.8 Sr2.5275 Tl0.4726 -","- Co4 O19.2 Sr10.11 Tl1.8904 -","4","0.5","","Maignan, A.; Pelloquin, D.; Hervieu, M.; Martin, C.; Raveau, B.","A new form of oxygen deficient 1201-cobaltite (Tl0.4 Sr0.5 Co0.1) Sr2 Co O5-d: structure, transport and magnetic properties","Journal of Materials Chemistry","2002","12","","1009","1016","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222201","5.393","","5.456","","29.08","","90","","90","","90","","855.656","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","La Sr3 Ga Co2 O9","","- Co2 Ga La O9 Sr3 -","- Co2.001 Ga0.999 La O9 Sr3 -","- Co8.004 Ga3.996 La4 O36 Sr12 -","4","0.125","","Prado, F.; Manthiram, A.; Gurunathan, K.","Synthesis, crystal chemistry and electrical, oxygen permeation and magnetic properties of La Sr3 Ga Fe2-x Cox O10-d (0 <= x <= 2 and 0 <= d <= 2)","Journal of Materials Chemistry","2002","12","","2390","2395","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222203","7.2076","","10.1135","","7.3775","","90","","90","","90","","537.776","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ca2 (Os2 O7)","","- Ca2 O7 Os2 -","- Ca2 O7 Os2 -","- Ca8 O28 Os8 -","4","0.25","","Reading, J.; Knee, C.S.; Weller, M.T.","Syntheses, structures and properties of some osmates(IV,V) adopting the pyrochlore and weberite structures","Journal of Materials Chemistry","2002","12","","2376","2382","","","","","","","","","","","","","","","","","","","","","","has coordinates","157720","2020-10-21","18:00:00",""
"7222204","10.35128","","10.35128","","10.35128","","90","","90","","90","","1109.13","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Pb2 Os2 O6.63","","- O6.63 Os2 Pb2 -","- O6.63 Os2 Pb2 -","- O53.04 Os16 Pb16 -","8","0.0416667","","Reading, J.; Knee, C.S.; Weller, M.T.","Syntheses, structures and properties of some osmates(IV, V) adopting the pyrochlore and weberite structures","Journal of Materials Chemistry","2002","12","","2376","2382","","","","","","","","","","","","","","","","","","","","","","has coordinates","157722","2020-10-21","18:00:00",""
"7222205","10.27315","","10.27315","","10.27315","","90","","90","","90","","1084.2","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tl2 Os2 O6.69","","- O6.69 Os2 Tl2 -","- O6.69 Os2 Tl2 -","- O53.52 Os16 Tl16 -","8","0.0416667","","Reading, J.; Knee, C.S.; Weller, M.T.","Syntheses, structures and properties of some osmates(IV, V) adopting the pyrochlore and weberite structures","Journal of Materials Chemistry","2002","12","","2376","2382","","","","","","","","","","","","","","","","","","","","","","has coordinates","157724","2020-10-21","18:00:00",""
"7222206","10.29218","","10.29218","","10.29218","","90","","90","","90","","1090.24","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tl2 Os2 O6.77","","- O6.77 Os2 Tl2 -","- O6.77 Os2 Tl2 -","- O54.16 Os16 Tl16 -","8","0.0416667","","Reading, J.; Weller, M.T.; Knee, C.S.","Syntheses, structures and properties of some osmates(IV, V) adopting the pyrochlore and weberite structures","Journal of Materials Chemistry","2002","12","","2376","2382","","","","","","","","","","","","","","","","","","","","","","has coordinates","157726","2020-10-21","18:00:00",""
"7222207","5.5621","","5.5667","","7.8502","","90","","89.86","","90","","243.061","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La2 Co (Ti O6)","","- Co La2 O6 Ti -","- Co La2 O6 Ti -","- Co2 La4 O12 Ti2 -","2","0.5","","Rodriguez, E.; Lopez, M.L.; Campo, J.; Pico, C.; Veiga, M.L.","Crystal and magnetic structure of the perovskites La2 M Ti O6 (M = Co, Ni)","Journal of Materials Chemistry","2002","12","","2798","2802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222208","5.5545","","5.5512","","7.8341","","90","","90.08","","90","","241.558","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La2 Ni (Ti O6)","","- La2 Ni O6 Ti -","- La2 Ni O6 Ti -","- La4 Ni2 O12 Ti2 -","2","0.5","","Rodriguez, E.; Campo, J.; Lopez, M.L.; Veiga, M.L.; Pico, C.","Crystal and magnetic structure of the perovskites La2 M Ti O6 (M = Co, Ni)","Journal of Materials Chemistry","2002","12","","2798","2802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222217","5.9205","","5.9202","","8.375","","90","","90.026","","90","","293.548","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ba2 Y (Re O6)","","- Ba2 O6 Re Y -","- Ba2 O6 Re Y -","- Ba4 O12 Re2 Y2 -","2","0.5","","Sasaki, Y.; Doi, Y.; Hinatsu, Y.","Magnetic and calorimetric studies of double perovskites Ba2 Ln Re O6 (Ln = Y, Nd, Sm-Lu)","Journal of Materials Chemistry","2002","12","","2361","2366","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222218","7.9338","","7.9338","","7.9338","","90","","90","","90","","499.394","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr (Mn0.5 Nb0.5) O3","","- Mn0.5 Nb0.5 O3 Sr -","- Mn0.5 Nb0.5 O3 Sr -","- Mn4 Nb4 O24 Sr8 -","8","0.0416667","","Tao Shan-Wen; Irvine, J.T.S.","Study on the structural and electrical properties of the double perovskite oxide Sr Mn0.5 Nb0.5 O3-d","Journal of Materials Chemistry","2002","12","","2356","2360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222219","4.0022","","4.0022","","4.0022","","90","","90","","90","","64.106","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr (Mn0.5 Nb0.5) O2.875","","- Mn0.5 Nb0.5 O2.875 Sr -","- Mn0.5 Nb0.5 O2.8749 Sr -","- Mn0.5 Nb0.5 O2.8749 Sr -","1","0.0208333","","Tao Shan-Wen; Irvine, J.T.S.","Study on the structural and electrical properties of the double perovskite oxide Sr Mn0.5 Nb0.5 O3-d","Journal of Materials Chemistry","2002","12","","2356","2360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222220","7.9177","","7.9177","","13.5571","","90","","90","","90","","849.894","","","","","","","","","","","","","4","I -4","I -4","82","","Ba La2 Co S5","","- Ba Co La2 S5 -","- Ba Co La2 S5 -","- Ba4 Co4 La8 S20 -","4","0.5","","Wakeshima, M.; Hinatsu, Y.; Ishii, Y.; Shimojo, Y.; Morii, Y.","Crystal structures and magnetic properties of cobalt chalcogenides Ba La2 Co (S1-x Sex)5 (0.0 <= x <= 0.4)","Journal of Materials Chemistry","2002","12","","631","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222221","7.589","","8.11","","5.056","","90","","103.934","","90","","302.024","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Zr (O3 P (C H2) P O3)","","- C H2 O6 P2 Zr -","- C O6 P2 Zr -","- C2 O12 P4 Zr2 -","2","1","","Serre, C.; Ferey, G.","Hydrothermal synthesis, structure determination from powder data of a three-dimensional zirconium diphosphonate with an exceptionally high thermal stability : Zr (O3 P - (C H2) - P O3) or MIL-57","Journal of Materials Chemistry","2002","12","","2367","2369","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222222","7.0186","","7.0186","","6.19","","90","","90","","90","","304.924","","","","","","","","","","","","","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Lu (Cr O4)","","- Cr Lu O4 -","- Cr Lu O4 -","- Cr4 Lu4 O16 -","4","0.125","","Tezuka, K.; Doi, Y.; Hinatsu, Y.","Crystal structures and magnetic properties of zircon-type Lu1-x Yx Cr O4","Journal of Materials Chemistry","2002","12","","1189","1193","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222223","7.0448","","7.0448","","6.2085","","90","","90","","90","","308.123","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","(Lu0.75 Y0.25) (Cr O4)","","- Cr Lu0.75 O4 Y0.25 -","- Cr Lu0.75 O4 Y0.25 -","- Cr4 Lu3 O16 Y -","4","0.125","","Tezuka, K.; Doi, Y.; Hinatsu, Y.","Crystal structures and magnetic properties of zircon-type Lu1-x Yx Cr O4","Journal of Materials Chemistry","2002","12","","1189","1193","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222224","7.0682","","7.0682","","6.2234","","90","","90","","90","","310.918","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","(Lu0.5 Y0.5) (Cr O4)","","- Cr Lu0.5 O4 Y0.5 -","- Cr Lu0.5 O4 Y0.5 -","- Cr4 Lu2 O16 Y2 -","4","0.125","","Tezuka, K.; Doi, Y.; Hinatsu, Y.","Crystal structures and magnetic properties of zircon-type Lu1-x Yx Cr O4","Journal of Materials Chemistry","2002","12","","1189","1193","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222225","7.0948","","7.0948","","6.2414","","90","","90","","90","","314.168","","","","","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","(Lu0.25 Y0.75) (Cr O4)","","- Cr Lu0.25 O4 Y0.75 -","- Cr Lu0.25 O4 Y0.75 -","- Cr4 Lu O16 Y3 -","4","0.125","","Tezuka, K.; Doi, Y.; Hinatsu, Y.","Crystal structures and magnetic properties of zircon-type Lu1-x Yx Cr O4","Journal of Materials Chemistry","2002","12","","1189","1193","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222226","3.8017","","3.8017","","15.5358","","90","","90","","90","","224.538","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr2 Ti O3 F1.8","","- F1.8 O3 Sr2 Ti -","- F1.8 O3 Sr2 Ti -","- F3.6 O6 Sr4 Ti2 -","2","0.125","","Slater, P.R.; Gover, R.K.B.","Synthesis and structure of the new oxide fluoride Sr2 Ti O3 F2 from the low temperature fluorination of Sr2 Ti O4: an example of a staged fluorine substitution/insertion reaction","Journal of Materials Chemistry","2002","12","","291","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222230","5.4888","","16.2256","","5.3545","","90","","90","","90","","476.867","","","","","","","","","","","","","4","I c m m","-I 2 2b","74","","Sr2 (Mn Ga O5)","","- Ga Mn O5 Sr2 -","- Ga1.001 Mn0.999 O5 Sr2 -","- Ga4.004 Mn3.996 O20 Sr8 -","4","0.25","","Wright, A.J.; Anderson, P.A.; Palmer, H.M.; Greaves, C.","Structures and magnetic ordering in the brownmillerite phases, Sr2 Mn Ga O5 and Ca2 Mn Al O5","Journal of Materials Chemistry","2002","12","","978","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222231","5.46258","","14.9533","","5.23135","","90","","90","","90","","427.315","","","","","","","","","","","","","4","I b m 2","I 2 -2b","46","","Ca2 (Mn Al O5)","","- Al Ca2 Mn O5 -","- Al Ca2 Mn O5 -","- Al4 Ca8 Mn4 O20 -","4","0.5","","Wright, A.J.; Palmer, H.M.; Anderson, P.A.; Greaves, C.","Structures and magnetic ordering in the brownmillerite phases, Sr2 Mn Ga O5 and Ca2 Mn Al O5","Journal of Materials Chemistry","2002","12","","978","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222310","5.3852","","5.6498","","7.7078","","91.9529","","89.8097","","91.5411","","234.29","","","","","","","","","","","","","3","P -1","-P 1","2","","Bi (Ni O3)","","- Bi Ni O3 -","- Bi Ni O3 -","- Bi4 Ni4 O12 -","4","2","","Ishiwata, S.; Azuma, M.; Takata, M.; Takano, M.; Nishibori, E.; Sakata, M.; Kato, K.","High pressure synthesis, crystal structure and physical properties of a new Ni(II) perovskite Bi Ni O3","Journal of Materials Chemistry","2002","12","","3733","3737","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222417","10.6755","","10.6755","","38.9339","","90","","90","","120","","3842.69","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Sr9.04 Ni1.02 Na0.88 (P O4)7","","- Na0.88 Ni1.02 O28 P7 Sr9.04 -","- Na0.88 Ni1.02 O28 P7 Sr9.04 -","- Na5.28 Ni6.12 O168 P42 Sr54.24 -","6","0.333333","","Belik, A.A.; Izumi, F.; Ikeda, T.; Malakho, A.P.; Lazoryak, B.I.","Strontium phosphates with beta-(Ca3 (P O4)2)-type structures: Sr9 Ni Li (P O4)7, Sr9.04 Ni1.02 Na0.88 (P O4)7 and Sr9.08 Ni1.04 K0.76 (P O4)7","Journal of Materials Chemistry","2002","12","","3803","3808","","","","","","","","","","","","","","","","","","","","","","has coordinates","159944","2020-10-21","18:00:00",""
"7222418","10.7128","","10.7128","","38.9492","","90","","90","","120","","3871.11","","","","","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Sr9.08 Ni1.04 K0.76 (P O4)7","","- K0.76 Ni1.04 O28 P7 Sr9.08 -","- K0.76 Ni1.04 O28 P7 Sr9.08 -","- K4.56 Ni6.24 O168 P42 Sr54.48 -","6","0.333333","","Belik, A.A.; Izumi, F.; Ikeda, T.; Malakho, A.P.; Lazoryak, B.I.","Strontium phosphates with beta-(Ca3 (P O4)2)-type structures: Sr9 Ni Li (P O4)7, Sr9.04 Ni1.02 Na0.88 (P O4)7 and Sr9.08 Ni1.04 K0.76(P O4)7","Journal of Materials Chemistry","2002","12","","3803","3808","","","","","","","","","","","","","","","","","","","","","","has coordinates","159947","2020-10-21","18:00:00",""
"7223710","9.7375","","9.9167","","10.3684","","88.083","","64.141","","87.847","","900.163","","","","","","","","","","","","","4","P -1","-P 1","2","","La14 Cu V6 O36.5","","- Cu La14 O36.5 V6 -","- Cu La14 O36.5 V6 -","- Cu La14 O36.5 V6 -","1","0.5","","Gopalakrishnan, J.; Eichhorn, B.W.; Gonen, Z.S.; Fettinger, J.C.; Chang, K.-S.; Mandal, T.K.; Takeuchi, I.; Greene, R.L.","Synthesis and structure of La14 V6 Cu O36.5: a transparent Cu(I) vanadate containing (O Cu O)(3-) sticks","Journal of Materials Chemistry","2002","12","","3839","3842","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223711","10.7451","","9.1941","","13.2112","","90","","103.66","","90","","1268.24","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(N H4) (Zn (H2 O)) (V O)2 (P O4)2 (H2 P O4)","","- H8 N O15 P3 V2 Zn -","- N O15 P3 V2 Zn -","- N4 O60 P12 V8 Zn4 -","4","1","","le Fur, E.; Pena, O.; Pivan, J.Y.","Magnetic susceptibility and crystal structure of the new oxovanadium phosphate (N H4) Zn (H2 O) (V O)2 (P O4)2 (H2 P O4)","Journal of Materials Chemistry","2002","12","","132","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223823","5.341","","15.232","","11.084","","90","","90","","90","","901.729","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bi (Bi0.12 Y0.88) (Ge O5)","","- Bi1.12 Ge O5 Y0.88 -","- Bi1.12 Ge O5 Y0.88 -","- Bi8.96 Ge8 O40 Y7.04 -","8","1","","Cascales, C.; Campa, J.A.; Gutierrez Puebla, E.; Monge, M.A.; Ruiz-Valero, C.; Rasines, I.","New rare-earth (Y, Yb) bismuth(III) germanates. An initial study of a promising series","Journal of Materials Chemistry","2002","12","","3626","3630","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7238082","17.664","0.005","12.548","0.005","17.271","0.005","90","0.005","115.91","0.005","90","0.005","3443","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Co N6 S2 -","- C38 H28 Co N6 S2 -","- C152 H112 Co4 N24 S8 -","4","1","","Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges; Létard, Jean-François; Chasseau, Daniel","Co(ii) molecular complexes as a reference for the spin crossover in Fe(ii) analogues","J. Mater. Chem.","2002","12","8","2546","","10.1039/B202610D","","","0.71069","MoKα","","0.0722","0.0387","","","0.0933","0.1079","","","","","","1.025","","","","has coordinates","244025","2020-10-21","18:00:00",""
"7238083","17.1637","0.0002","12.5575","0.0002","17.2701","0.0002","90","0.005","115.844","0.005","90","0.005","3349.99","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Co N6 S2 -","- C38 H28 Co N6 S2 -","- C152 H112 Co4 N24 S8 -","4","1","","Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges; Létard, Jean-François; Chasseau, Daniel","Co(ii) molecular complexes as a reference for the spin crossover in Fe(ii) analogues","J. Mater. Chem.","2002","12","8","2546","","10.1039/B202610D","","","0.71069","MoKα","","0.0772","0.0389","","","0.0983","0.1427","","","","","","1.105","","","","has coordinates","244025","2020-10-21","18:00:00",""
"7238084","15.599","0.005","14.727","0.005","16.87","0.005","90","","93.65","0.05","90","","3868","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H30 Co N6 O0.5 S2 -","- C43 H28 Co N6 S2 -","- C172 H112 Co4 N24 S8 -","4","1","","Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges; Létard, Jean-François; Chasseau, Daniel","Co(ii) molecular complexes as a reference for the spin crossover in Fe(ii) analogues","J. Mater. Chem.","2002","12","8","2546","","10.1039/B202610D","","","0.71069","MoKα","","0.1045","0.0477","","","0.1169","0.1407","","","","","","1.02","","","","has coordinates","244025","2020-10-21","18:00:00",""
"7238085","15.674","0.003","14.599","0.003","16.844","0.003","90","","93.105","0.004","90","","3848.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 Co N6 S2 -","- C42 H28 Co N6 S2 -","- C168 H112 Co4 N24 S8 -","4","1","","Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges; Létard, Jean-François; Chasseau, Daniel","Co(ii) molecular complexes as a reference for the spin crossover in Fe(ii) analogues","J. Mater. Chem.","2002","12","8","2546","","10.1039/B202610D","","","0.71069","MoKα","","0.1656","0.0424","","","0.0841","0.1122","","","","","","0.944","","","","has coordinates","244025","2020-10-21","18:00:00",""
"7238086","15.6741","0.0007","14.3226","0.0006","16.7829","0.0008","90","","93.364","0.001","90","","3761.2","0.3","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 Co N6 S2 -","- C42 H28 Co N6 S2 -","- C168 H112 Co4 N24 S8 -","4","1","","Guionneau, Philippe; Marchivie, Mathieu; Bravic, Georges; Létard, Jean-François; Chasseau, Daniel","Co(ii) molecular complexes as a reference for the spin crossover in Fe(ii) analogues","J. Mater. Chem.","2002","12","8","2546","","10.1039/B202610D","","","0.71073","MoKα","","0.0706","0.0398","","","0.0896","0.1025","","","","","","1.017","","","","has coordinates","244025","2020-10-21","18:00:00",""
"7238143","14.645","0.0005","11.5719","0.0004","15.0033","0.0005","90","","102.896","0.001","90","","2478.48","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,5-dichloro-trans-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","","","- C26 H29 Cl2 N O4 -","- C26 H29 Cl2 N O4 -","- C104 H116 Cl8 N4 O16 -","4","1","","Mondal, Raju; Howard, Judith A. K.","Polymorphism study of a three-component system showing encapsulation of ion pairs and a zwitterion","CrystEngComm","2010","12","11","3786","","10.1039/b917956a","","","0.71073","MoKα","","0.0567","0.0408","","","0.0977","0.1041","","","","","","0.949","","","","has coordinates","244081","2020-10-21","18:00:00",""
"7238144","7.4892","0.0004","13.3457","0.0007","24.0116","0.0013","90","","90.709","0.002","90","","2399.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,5-dichloro-trans-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","1,5-dichloro-trans-9,10-diethynyl-9,10-dihydroxy-9,10- dihydroanthracene","","- C26 H29 Cl2 N O4 -","- C26 H29 Cl2 N O4 -","- C104 H116 Cl8 N4 O16 -","4","1","","Mondal, Raju; Howard, Judith A. K.","Polymorphism study of a three-component system showing encapsulation of ion pairs and a zwitterion","CrystEngComm","2010","12","11","3786","","10.1039/b917956a","","","0.71073","MoKα","","0.1097","0.0476","","","0.09","0.1042","","","","","","0.828","","","","has coordinates,has disorder","244081","2020-10-21","18:00:00",""
"7238145","9.2741","0.0002","15.3177","0.0003","15.8154","0.0003","90","","91.025","0.001","90","","2246.34","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl2 N O3 -","- C24 H25 Cl2 N O3 -","- C96 H100 Cl8 N4 O12 -","4","1","","Mondal, Raju; Howard, Judith A. K.","Polymorphism study of a three-component system showing encapsulation of ion pairs and a zwitterion","CrystEngComm","2010","12","11","3786","","10.1039/b917956a","","","0.71073","MoKα","","0.0649","0.0418","","","0.1004","0.1086","","","","","","1.041","","","","has coordinates,has disorder","244081","2020-10-21","18:00:00",""
"7238146","19.03","0.004","7.23","0.0014","23.644","0.009","90","","123.76","0.02","90","","2704.5","1.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C51 H26 Co2 F18 O12 -","- C51 H26 Co2 F18 O12 -","- C102 H52 Co4 F36 O24 -","2","0.5","","Jiang, Hai-Long; Xu, Qiang","Counterion-induced controllable assembly of 2D and 3D metal‒organic frameworks: effect of coordination modes of dinuclear Cu(ii) paddle-wheel motifs","CrystEngComm","2010","12","11","3815","","10.1039/b921532h","","","0.71073","MoKα","","0.0531","0.0393","","","0.0906","0.0982","","","","","","1.029","","","","has coordinates","244082","2020-10-21","18:00:00",""
"7238147","12.71","0.003","6.98","0.0014","23.624","0.007","90","","118.5","0.02","90","","1841.8","0.9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H10 Cu F6 O5 -","- C17 H10 Cu F6 O5 -","- C68 H40 Cu4 F24 O20 -","4","1","","Jiang, Hai-Long; Xu, Qiang","Counterion-induced controllable assembly of 2D and 3D metal‒organic frameworks: effect of coordination modes of dinuclear Cu(ii) paddle-wheel motifs","CrystEngComm","2010","12","11","3815","","10.1039/b921532h","","","0.71073","MoKα","","0.0981","0.0704","","","0.1264","0.141","","","","","","1.049","","","","has coordinates","244082","2020-10-21","18:00:00",""
"7238148","18.76","0.004","7.28","0.0015","23.402","0.009","90","","123.12","0.02","90","","2676.8","1.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C51 H26 Cu2 F18 O12 -","- C51 H26 Cu2 F18 O12 -","- C102 H52 Cu4 F36 O24 -","2","0.5","","Jiang, Hai-Long; Xu, Qiang","Counterion-induced controllable assembly of 2D and 3D metal‒organic frameworks: effect of coordination modes of dinuclear Cu(ii) paddle-wheel motifs","CrystEngComm","2010","12","11","3815","","10.1039/b921532h","","","0.71073","MoKα","","0.1051","0.0418","","","0.0862","0.1219","","","","","","1.085","","","","has coordinates","244082","2020-10-21","18:00:00",""
"7238149","16.769","0.003","12.475","0.003","12.346","0.003","90","","90","","90","","2582.7","1","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H28 Co N4 O7 -","- C24 H28 Co N4 O7 -","- C96 H112 Co4 N16 O28 -","4","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","x-ray","0.71073","MoKα","","0.0387","0.0333","","","0.0817","0.0845","","","","","","1.041","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238150","18.757","0.004","15.943","0.003","21.933","0.009","90","","118.48","0.02","90","","5765","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H58 Co2 N12 O11 -","- C58 H58 Co2 N12 O11 -","- C232 H232 Co8 N48 O44 -","4","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","","0.71073","MoKα","","0.0912","0.0505","","","0.1109","0.1275","","","","","","1.028","","","","has coordinates,has disorder","244084","2020-10-21","18:00:00",""
"7238151","11.568","0.002","14.658","0.003","16.15","0.006","90","","116.52","0.02","90","","2450.3","1.2","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H88 Co4 N16 O16 -","- C112 H88 Co4 N16 O16 -","- C112 H88 Co4 N16 O16 -","1","0.25","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","x-ray","0.71073","MoKα","","0.0448","0.0357","","","0.0884","0.0924","","","","","","1.027","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238152","18.37","0.004","9.5403","0.0019","21.034","0.004","90","","90","","90","","3686.3","1.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H15 Co N2 O4.25 -","- C21 H15 Co N2 O4.25 -","- C168 H120 Co8 N16 O34 -","8","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","","0.71073","MoKα","","0.162","0.0619","","","0.1107","0.1422","","","","","","0.939","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238153","12.345","0.003","11.545","0.002","18.41","0.007","90","","112.69","0.03","90","","2420.8","1.3","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Co N4 O4 -","- C26 H26 Co N4 O4 -","- C104 H104 Co4 N16 O16 -","4","1","","Liu, Yang; Qi, Yan; Su, Yan-Hua; Zhao, Fang-Hua; Che, Yun-Xia; Zheng, Ji-Min","Five novel cobalt coordination polymers: effect of metal‒ligand ratio and structure characteristics of flexible bis(imidazole) ligands","CrystEngComm","2010","12","10","3283","","10.1039/b925829a","","x-ray","0.71073","MoKα","","0.0839","0.0458","","","0.0915","0.1039","","","","","","1.013","","","","has coordinates","244084","2020-10-21","18:00:00",""
"7238154","7.285","0.002","7.587","0.002","12.792","0.004","91.046","0.005","97.523","0.005","95.694","0.005","697.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 O8 Zn -","- C14 H14 O8 Zn -","- C28 H28 O16 Zn2 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0447","0.0381","","","0.0908","0.0932","","","","","","1","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238155","6.9596","0.0009","8.2468","0.0011","13.2496","0.0018","87.769","0.003","82.874","0.002","69.443","0.002","706.52","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 Cd O8 -","- C14 H14 Cd O8 -","- C28 H28 Cd2 O16 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0377","0.0315","","","0.0808","0.0956","","","","","","0.996","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238156","4.6809","0.0009","5.7625","0.0011","26.781","0.005","87.236","0.004","89.406","0.003","84.635","0.003","718.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 Co O9 -","- C14 H16 Co O9 -","- C28 H32 Co2 O18 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0566","0.045","","","0.0994","0.1042","","","","","","1.002","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238157","14.702","0.002","7.6396","0.0012","12.976","0.002","90","","92.489","0.003","90","","1456.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Eu N O9 -","- C14 H12 Eu N O9 -","- C56 H48 Eu4 N4 O36 -","4","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0547","0.04","","","0.083","0.0869","","","","","","1.001","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238158","14.687","0.0016","7.6577","0.0008","12.9674","0.0014","90","","92.456","0.002","90","","1457.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N O9 Sm -","- C14 H12 N O9 Sm -","- C56 H48 N4 O36 Sm4 -","4","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0456","0.0385","","","0.0931","0.0973","","","","","","0.999","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238159","6.1081","0.0011","7.8775","0.0015","15.452","0.003","77.892","0.003","87.069","0.004","88.392","0.004","725.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 Cd O7 -","- C16 H14 Cd O7 -","- C32 H28 Cd2 O14 -","2","1","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0618","0.0468","","","0.0776","0.0821","","","","","","1.001","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238160","4.9236","0.001","5.7501","0.0011","15.143","0.003","88.367","0.003","83.723","0.003","83.308","0.003","423.19","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 Co O10 -","- C16 H20 Co O10 -","- C16 H20 Co O10 -","1","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0467","0.0428","","","0.1101","0.1129","","","","","","1.004","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238161","4.9002","0.0016","5.7233","0.0018","15.147","0.005","88.524","0.007","83.761","0.006","83.354","0.006","419.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 Ni O10 -","- C16 H20 Ni O10 -","- C16 H20 Ni O10 -","1","0.5","","Ji, Chang-Chun; Li, Jing; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Eight new complexes based on flexible multicarboxylate ligands: synthesis, structures and properties","CrystEngComm","2010","12","10","3183","","10.1039/b926324a","","","0.71073","MoKα","","0.0535","0.0468","","","0.1092","0.1125","","","","","","1","","","","has coordinates","244085","2020-10-21","18:00:00",""
"7238162","3.92","0.0003","12.979","0.001","12.2368","0.0009","90","","93.153","0.003","90","","621.64","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1675","0.0722","","","0.1523","0.1794","","","","","","1.12","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238163","3.92","0.0003","12.979","0.001","12.2368","0.0009","90","","93.153","0.003","90","","621.64","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1534","0.0586","","","0.1106","0.1467","","","","","","0.918","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238164","3.91412","0.00016","12.9559","0.0006","12.2307","0.0006","90","","93.221","0.004","90","","619.25","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0596","0.047","","","0.158","0.1741","","","","","","1.07","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238165","3.91412","0.00016","12.9559","0.0006","12.2307","0.0006","90","","93.221","0.004","90","","619.25","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0597","0.0471","","","0.1559","0.1723","","","","","","1.06","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238166","3.9164","0.0002","12.9581","0.0006","12.237","0.0005","90","","93.238","0.002","90","","620.03","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0983","0.0558","","","0.0997","0.1094","","","","","","1.184","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238167","3.9164","0.0002","12.9581","0.0006","12.237","0.0005","90","","93.238","0.002","90","","620.03","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0898","0.0478","","","0.0777","0.0903","","","","","","0.978","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238168","3.91","0.0002","12.9349","0.0007","12.221","0.0006","90","","93.352","0.002","90","","617.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1046","0.0539","","","0.1092","0.1222","","","","","","1.18","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238169","3.91","0.0002","12.9349","0.0007","12.221","0.0006","90","","93.352","0.002","90","","617.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0968","0.0461","","","0.0884","0.1051","","","","","","1.016","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238170","3.9182","0.0002","12.9555","0.0008","12.2381","0.0007","90","","93.254","0.003","90","","620.23","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1507","0.075","","","0.2164","0.2512","","","","","","1.071","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238171","3.9182","0.0002","12.9555","0.0008","12.2381","0.0007","90","","93.254","0.003","90","","620.23","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1446","0.0685","","","0.1777","0.2215","","","","","","0.945","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238172","3.9236","0.0003","12.974","0.0008","12.2406","0.0007","90","","93.175","0.003","90","","622.15","0.07","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1271","0.0601","","","0.1277","0.1438","","","","","","1.168","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238173","3.9236","0.0003","12.974","0.0008","12.2406","0.0007","90","","93.175","0.003","90","","622.15","0.07","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1202","0.0531","","","0.106","0.1255","","","","","","1.021","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238174","3.9236","0.0003","25.948","0.0008","24.4812","0.0007","90","","93.175","0.003","90","","2488.6","0.2","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1429","0.0709","","","0.129","0.1536","","","","","","0.965","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238175","3.9239","0.0002","12.9733","0.0006","12.2398","0.0006","90","","93.192","0.002","90","","622.11","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0967","0.0586","","","0.1454","0.1572","","","","","","1.217","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238176","3.9239","0.0002","12.9733","0.0006","12.2398","0.0006","90","","93.192","0.002","90","","622.11","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0879","0.0494","","","0.1116","0.1278","","","","","","0.991","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238177","3.9239","0.0002","25.9466","0.0006","24.4796","0.0006","90","","93.192","0.002","90","","2488.45","0.15","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1071","0.0649","","","0.1053","0.1191","","","","","","1.002","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238178","3.922","0.0002","12.9245","0.0007","12.3038","0.0007","90","","92.957","0.002","90","","622.85","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1093","0.0552","","","0.1541","0.1858","","","","","","1.052","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238179","3.922","0.0002","12.9245","0.0007","12.3038","0.0007","90","","92.957","0.002","90","","622.85","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1079","0.0543","","","0.1511","0.1835","","","","","","1.039","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238180","3.91649","0.0001","12.9357","0.0003","12.3004","0.0003","90","","92.999","0.002","90","","622.32","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0724","0.0555","","","0.1823","0.2053","","","","","","1.044","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238181","3.91649","0.0001","12.9357","0.0003","12.3004","0.0003","90","","92.999","0.002","90","","622.32","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0718","0.055","","","0.1777","0.2016","","","","","","1.025","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238182","3.9118","0.0002","12.947","0.0005","12.226","0.0004","90","","93.191","0.002","90","","618.24","0.04","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0668","0.0442","","","0.1172","0.1286","","","","","","1.097","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238183","3.9118","0.0002","12.947","0.0005","12.226","0.0004","90","","93.191","0.002","90","","618.24","0.04","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.065","0.0425","","","0.1064","0.1195","","","","","","1.021","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238184","3.9227","0.0002","12.9764","0.0007","12.2535","0.0006","90","","93.2","0.002","90","","622.76","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.137","0.0802","","","0.2413","0.2719","","","","","","1.112","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238185","3.9227","0.0002","12.9764","0.0007","12.2535","0.0006","90","","93.2","0.002","90","","622.76","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1239","0.0669","","","0.1727","0.2176","","","","","","0.89","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238186","3.9227","0.0002","25.9528","0.0007","24.507","0.0006","90","","93.2","0.002","90","","2491.05","0.16","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1419","0.0746","","","0.1949","0.2417","","","","","","0.997","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238187","3.9216","0.0003","12.9663","0.001","12.2348","0.0009","90","","93.153","0.003","90","","621.18","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1832","0.0706","","","0.1595","0.2167","","","","","","0.94","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238188","3.9216","0.0003","12.9663","0.001","12.2348","0.0009","90","","93.153","0.003","90","","621.18","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1831","0.0706","","","0.1595","0.2167","","","","","","0.94","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238189","3.9221","0.0004","12.9733","0.0012","12.2509","0.0012","90","","93.149","0.003","90","","622.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.161","0.0493","","","0.0987","0.1333","","","","","","0.941","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238190","3.9221","0.0004","12.9733","0.0012","12.2509","0.0012","90","","93.149","0.003","90","","622.42","0.11","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.161","0.0493","","","0.0987","0.1333","","","","","","0.941","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238191","3.9208","0.0002","12.9696","0.0007","12.2508","0.0007","90","","93.138","0.002","90","","622.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1076","0.045","","","0.0971","0.1216","","","","","","1.011","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238192","3.9208","0.0002","12.9696","0.0007","12.2508","0.0007","90","","93.138","0.002","90","","622.03","0.06","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1068","0.0446","","","0.0955","0.1203","","","","","","1.001","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238193","3.922","0.0002","12.9786","0.0005","12.2507","0.0006","90","","93.128","0.002","90","","622.66","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0751","0.0435","","","0.1194","0.1386","","","","","","1.029","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238194","3.922","0.0002","12.9786","0.0005","12.2507","0.0006","90","","93.128","0.002","90","","622.66","0.05","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0739","0.0419","","","0.1112","0.1324","","","","","","0.984","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238195","3.9192","0.0001","12.963","0.0004","12.2399","0.0004","90","0.002","93.188","0.002","90","0.002","620.88","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0611","0.042","","","0.1107","0.1222","","","","","","1.083","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238196","3.9192","0.0001","12.963","0.0004","12.2399","0.0004","90","0.002","93.188","0.002","90","0.002","620.88","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.06","0.0408","","","0.1041","0.1168","","","","","","1.036","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238197","3.9173","0.0001","12.9563","0.0003","12.2343","0.0003","90","0.001","93.151","0.001","90","0.001","620","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0622","0.0445","","","0.1168","0.1269","","","","","","1.081","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238198","3.9173","0.0001","12.9563","0.0003","12.2343","0.0003","90","0.001","93.151","0.001","90","0.001","620","0.03","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.0607","0.0431","","","0.1082","0.1192","","","","","","1.017","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238199","3.9173","0.0001","25.9126","0.0003","24.4686","0.0003","90","0.001","93.151","0.001","90","0.001","2479.99","0.08","293","2","293","2","","","","","","","","5","A 1","A 1","1","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C112 H80 Cl8 N8 O16 -","8","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1131","0.0566","","","0.1222","0.1496","","","","","","0.986","","","","has coordinates,has disorder","244087","2020-10-21","18:00:00",""
"7238200","3.91514","0.00005","12.96036","0.00016","12.22634","0.00016","90","","93.1916","0.0012","90","","619.422","0.014","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0555","0.048","","","0.1487","0.1532","","","","","","1.138","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238201","3.91514","0.00005","12.96036","0.00016","12.22634","0.00016","90","","93.1916","0.0012","90","","619.422","0.014","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71","synchrotron","","0.0506","0.0435","","","0.122","0.1275","","","","","","0.949","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238202","3.9239","0.0003","12.9707","0.0009","12.2375","0.0008","90","","93.236","0.003","90","","621.84","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.1213","0.0603","","","0.1208","0.1367","","","","","","1.153","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238203","3.9239","0.0003","12.9707","0.0009","12.2375","0.0008","90","","93.236","0.003","90","","621.84","0.08","293","2","293","2","","","","","","","","5","P 1 21 1 (a,b,c-1/4)","P 2ybc","4","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","","","Behrnd, Norwid-Rasmus; Labat, Gaël; Venugopalan, Paloth; Hulliger, Jürg; Bürgi, Hans-Beat","Influence of the solvent of crystallization on the orientational disorder of (trans)-4-chloro-4′-nitrostilbene","CrystEngComm","2010","12","12","4101","","10.1039/b926652f","","","0.71073","MoKα","","0.111","0.0499","","","0.0887","0.1104","","","","","","0.932","","","","has coordinates","244087","2020-10-21","18:00:00",""
"7238204","7.9968","0.0016","11.764","0.002","11.929","0.002","74.18","0.03","88.87","0.03","89.89","0.03","1079.5","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","DIPZ","DIPZ","","- C28 H22 N4 O2 -","- C28 H22 N4 O2 -","- C56 H44 N8 O4 -","2","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.0969","0.0543","","","0.1147","0.1328","","","","","","0.971","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238205","41.692","0.008","8.3351","0.0017","22.227","0.004","90","","95.7","0.03","90","","7686","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DIPZ+HSO4","","","- C40 H51 N5 O4 S -","- C40 H51 N5 O4 S -","- C320 H408 N40 O32 S8 -","8","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.1007","0.0686","","","0.193","0.2171","","","","","","1.057","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238206","13.188","0.003","14.799","0.003","18.574","0.004","90","","90","","90","","3625.1","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DIPZ+Br","","","- C40 H50 Br N5 -","- C40 H50 Br N5 -","- C160 H200 Br4 N20 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.1193","0.0752","","","0.1594","0.1833","","","","","","0.986","","","","has coordinates,has disorder","244088","2020-10-21","18:00:00",""
"7238207","13.965","0.003","20.364","0.004","15.881","0.003","90","","94.42","0.03","90","","4502.9","1.6","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DIPZ+BzO","","","- C51 H63 N5 O4 -","- C51 H63 N5 O4 -","- C204 H252 N20 O16 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.1777","0.0969","","","0.247","0.2948","","","","","","1.002","","","","has coordinates,has disorder","244088","2020-10-21","18:00:00",""
"7238208","22.428","0.006","8.4214","0.0017","19.787","0.008","90","","113.21","0.03","90","","3435","2","113","2","113","2","","","","","","","","4","C 1 c 1","C -2yc","9","DIPZ+F","","","- C40 H50 F N5 -","- C40 H50 F N5 -","- C160 H200 F4 N20 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.0972","0.0626","","","0.1297","0.14","","","","","","1.011","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238209","21.802","0.004","8.4417","0.0017","22.56","0.005","90","","118.82","0.03","90","","3637.8","1.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DIPZ+OAc","","","- C42 H53 N5 O2 -","- C42 H53 N5 O2 -","- C168 H212 N20 O8 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.0715","0.0521","","","0.1266","0.1389","","","","","","1.058","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238210","9.5475","0.0019","21.996","0.005","17.778","0.004","90","","96.892","0.004","90","","3706.5","1.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DIPZ+SiF6","","","- C80 H100 F6 N10 Si -","- C80 H100 F6 N10 Si -","- C160 H200 F12 N20 Si2 -","2","0.5","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.123","0.05","","","0.1108","0.1446","","","","","","1.003","","","","has coordinates","244088","2020-10-21","18:00:00",""
"7238211","6.7699","0.0004","12.5368","0.0007","12.755","0.0006","90","","104.12","0.004","90","","1049.85","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H14 Co O4 -","- C10 H14 Co O4 -","- C40 H56 Co4 O16 -","4","2","","Wu, Jing-Yun; Huang, Sheng-Ming; Chiang, Ming-Hsi","Hydro(solvo)thermal synthesis of homochiral metal‒camphorate coordination polymers","CrystEngComm","2010","12","11","3909","","10.1039/c000872a","","","0.71073","MoKα","","0.101","0.0551","","","0.1021","0.1186","","","","","","0.942","","","","has coordinates","244089","2020-10-21","18:00:00",""
"7238212","13.361","0.0007","13.0991","0.0006","13.361","0.0007","90","","116.375","0.001","90","","2094.99","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H60 Cu2 O16 -","- C40 H60 Cu2 O16 -","- C80 H120 Cu4 O32 -","2","1","","Wu, Jing-Yun; Huang, Sheng-Ming; Chiang, Ming-Hsi","Hydro(solvo)thermal synthesis of homochiral metal‒camphorate coordination polymers","CrystEngComm","2010","12","11","3909","","10.1039/c000872a","","","0.71073","MoKα","","0.0759","0.0535","","","0.1146","0.1366","","","","","","0.962","","","","has coordinates","244089","2020-10-21","18:00:00",""
"7238213","10.5301","0.0005","13.1928","0.0009","17.04","","90","","107.961","0.005","90","","2251.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.1036","0.0386","","","0.0959","0.1067","","","","","","0.827","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238214","8.2241","0.0004","8.5725","0.0004","15.5081","0.0007","90","","93.794","0.004","90","","1090.94","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.0377","0.0325","","","0.0874","0.092","","","","","","0.887","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238215","17.5911","0.0011","8.5439","0.0004","15.594","0.001","90","","113.022","0.008","90","","2157.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.0597","0.0324","","","0.0708","0.0748","","","","","","0.856","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238216","10.8598","0.0003","8.5347","0.0002","11.4387","0.0003","90","","91.941","0.002","90","","1059.59","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.0462","0.0315","","","0.1005","0.1044","","","","","","1.128","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238217","10.4125","0.0005","15.2429","0.001","14.3121","0.0006","90","","91.042","0.004","90","","2271.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex","Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole","CrystEngComm","2010","12","10","3119","","10.1039/c001071e","","","0.7107","MoKα","","0.1031","0.051","","","0.1165","0.1288","","","","","","0.985","","","","has coordinates","244090","2020-10-21","18:00:00",""
"7238218","5.84","0.005","4.871","0.004","10.764","0.01","90","","91.656","0.016","90","","306.1","0.5","210","2","210","2","","","","","","","see text","3","P 1 21 1","P 2yb","4","Phenylmethanol","Phenylmethanol","","- C7 H8 O -","- C7 H8 O -","- C14 H16 O2 -","2","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.1185","0.0897","","","0.2386","0.2555","","","","","","1.13","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238219","10.623","0.003","10.623","0.003","5.5031","0.0018","90","","90","","90","","621","0.3","150","2","150","2","","","","","","","see text","3","P 43","P 4cw","78","Phenylmethanamine","Phenylmethanamine","","- C7 H9 N -","- C7 H9 N -","- C28 H36 N4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.0449","0.0331","","","0.079","0.0837","","","","","","1.075","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238220","8.2424","0.0019","11.268","0.003","7.8204","0.0018","90","","112.657","0.003","90","","670.3","0.3","150","2","150","2","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","1-(Chloromethyl)benzene","1-(Chloromethyl)benzene","","- C7 H7 Cl -","- C7 H7 Cl -","- C28 H28 Cl4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","x-ray","0.71073","MoKα","","0.0513","0.0454","","","0.1059","0.1086","","","","","","1.15","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238221","4.592","0.002","7.737","0.004","9.507","0.005","90","","94.213","0.008","90","","336.9","0.3","150","2","150","2","","","","","","","see text","3","P 1 21 1","P 2yb","4","1-(bromomethyl)benzene","1-(bromomethyl)benzene","","- C7 H7 Br -","- C7 H7 Br -","- C14 H14 Br2 -","2","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","x-ray","0.71073","MoKα","","0.0817","0.0587","","","0.14","0.151","","","","","","1.003","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238222","5.5515","0.0007","14.8529","0.0019","8.0053","0.001","90","","100.668","0.002","90","","648.68","0.14","150","2","150","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","Phenylmethanethiol","Phenylmethanethiol","","- C7 H8 S -","- C7 H8 S -","- C28 H32 S4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.0279","0.0272","","","0.0748","0.0753","","","","","","1.105","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238223","6.914","0.002","7.476","0.003","9.563","0.001","90","","90","","90","","494.3","0.2","150","2","150","2","","","","","","","see text","2","P b c a","-P 2ac 2ab","61","benzene","benzene","","- C6 H6 -","- C6 H6 -","- C24 H24 -","4","0.5","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.1197","0.0554","","","0.0991","0.1159","","","","","","1.061","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238224","7.5889","0.0011","5.8186","0.0009","26.982","0.004","90","","106.136","0.002","90","","1144.5","0.3","150","2","150","2","","","","","","","see text","2","P 1 21/c 1","-P 2ybc","14","toluene","toluene","","- C7 H8 -","- C7 H8 -","- C56 H64 -","8","2","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","","0.71073","MoKα","","0.049","0.0439","","","0.1165","0.1204","","","","","","1.061","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238225","8.134","0.003","8.783","0.002","9.412","0.003","90","","96.368","0.006","90","","668.3","0.4","150","2","150","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","2-phenylacetonitrile","2-phenylacetonitrile","","- C8 H7 N -","- C8 H7 N -","- C32 H28 N4 -","4","1","","Nayak, Susanta K.; Sathishkumar, Ranganathan; Row, T. N. Guru","Directing role of functional groups in selective generation of C‒H⋯π interactions: In situ cryo-crystallographic studies on benzyl derivatives","CrystEngComm","2010","12","10","3112","","10.1039/c001190h","","x-ray","0.71073","MoKα","","0.0635","0.0452","","","0.1","0.1072","","","","","","1.051","","","","has coordinates","244091","2020-10-21","18:00:00",""
"7238226","11.1273","0.0018","6.5676","0.0012","14.1016","0.0019","90","","101.282","0.006","90","","1010.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.71073","MoKα","","0.0831","0.0478","","","0.1088","0.1253","","","","","","1.032","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238227","11.6196","0.0007","6.3329","0.0004","15.4169","0.001","90","","92.831","0.005","90","","1133.08","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C44 H64 N8 O16 -","4","1","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.7107","MoKα","","0.0753","0.0524","","","0.0741","0.0792","","","","","","1.14","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238228","6.169","0.002","6.177","0.002","17.569","0.009","84.46","0.04","86.65","0.04","66.44","0.02","610.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C24 H40 N4 O4 -","2","1","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.7107","MoKα","","0.148","0.0773","","","0.2293","0.2554","","","","","","1.007","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238229","10.41","0.003","6.865","0.002","14.194","0.003","90","","105.17","0.01","90","","979","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","0.5","","Graus, Sara; Casabona, Diego; Uriel, Santiago; Cativiela, Carlos; Serrano, José Luis","Supramolecular arrangements based on cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2010","12","10","3132","","10.1039/c001232g","","","0.71073","MoKα","","0.1226","0.0526","","","0.0994","0.133","","","","","","1.032","","","","has coordinates","244092","2020-10-21","18:00:00",""
"7238230","6.0029","0.0001","9.4374","0.0001","10.4741","0.0001","98.225","0.001","94.759","0.001","107.841","0.001","553.945","0.013","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 Eu O9 S -","- C8 H7 Eu O9 S -","- C16 H14 Eu2 O18 S2 -","2","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0259","0.0237","","","0.0579","0.0591","","","","","","1.046","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238231","6.9605","0.0001","17.6633","0.0002","15.9655","0.0002","90","","90.585","0.001","90","","1962.78","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Eu N2 O8 S -","- C20 H13 Eu N2 O8 S -","- C80 H52 Eu4 N8 O32 S4 -","4","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0335","0.025","","","0.0545","0.0578","","","","","","1.019","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238232","10.2533","0.0008","16.2583","0.0013","12.0825","0.0014","90","","96.909","0.002","90","","1999.5","0.3","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H15 Eu N2 O9 S -","- C20 H15 Eu N2 O9 S -","- C80 H60 Eu4 N8 O36 S4 -","4","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0401","0.0366","","","0.0869","0.0894","","","","","","1.059","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238233","9.2909","0.0003","14.594","0.0003","13.9707","0.0003","90","","95.141","0.001","90","","1886.69","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Eu N2 O8 S -","- C20 H13 Eu N2 O8 S -","- C80 H52 Eu4 N8 O32 S4 -","4","1","","Xiao, Shan-Shan; Zheng, Xiang-Jun; Yan, Shao-Hua; Deng, Xue-Bin; Jin, Lin-Pei","Architecture of europium complexes with sulfobenzenedicarboxylates","CrystEngComm","2010","12","10","3145","","10.1039/c001590c","","","0.71073","MoKα","","0.0224","0.0207","","","0.0545","0.0555","","","","","","1.033","","","","has coordinates","244093","2020-10-21","18:00:00",""
"7238234","8.5891","0.0012","10.7816","0.0015","18.136","0.002","90","","100.141","0.002","90","","1653.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 O14 Sm -","- C10 H19 O14 Sm -","- C40 H76 O56 Sm4 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0515","0.0408","","","0.0764","0.0795","","","","","","1.013","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238235","8.5764","0.0008","10.7704","0.0011","18.0954","0.0017","90","","100.167","0.002","90","","1645.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Eu O14 -","- C10 H19 Eu O14 -","- C40 H76 Eu4 O56 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0436","0.0395","","","0.102","0.1051","","","","","","1.014","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238236","8.5537","0.0009","10.7371","0.0011","18.0139","0.0018","90","","100.193","0.002","90","","1628.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Dy O14 -","- C10 H19 Dy O14 -","- C40 H76 Dy4 O56 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0341","0.0296","","","0.0726","0.0737","","","","","","1.015","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238237","12.4166","0.0016","19.045","0.003","13.6377","0.0018","90","","111.917","0.002","90","","2991.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Ni4 O24 -","- C20 H28 Ni4 O24 -","- C80 H112 Ni16 O96 -","4","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.0643","0.0491","","","0.1231","0.1306","","","","","","1.013","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238238","8.318","0.002","10.011","0.002","10.856","0.003","62.661","0.004","72.166","0.005","75.526","0.005","758","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cu2 N O8 -","- C15 H10 Cu2 N O8 -","- C30 H20 Cu4 N2 O16 -","2","1","","Li, Jing; Ji, Chang-Chun; Lu, Zhen-Zhong; Wang, Tian-Wei; Song, You; Li, Yi-Zhi; Zheng, He-Gen; Guo, Zijian; Batten, Stuart R.","Organic‒inorganic hybrid coordination polymers based on the 5-oxyacetate isophthalic acid (H3OABDC) ligand: syntheses, structures, magnetic and luminescent properties","CrystEngComm","2010","12","12","4424","","10.1039/c002090g","","","0.71073","MoKα","","0.086","0.061","","","0.1279","0.1329","","","","","","1.044","","","","has coordinates","244094","2020-10-21","18:00:00",""
"7238239","6.581","0.005","7.653","0.005","12.83","0.01","83.21","0.02","78.45","0.04","84.25","0.03","626.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Al N2 O5 -","- C14 H8 Al N2 O5 -","- C28 H16 Al2 N4 O10 -","2","1","","Volkringer, Christophe; Loiseau, Thierry; Devic, Thomas; Férey, Gérard; Popov, Dmitry; Burghammer, M.; Riekel, C.","A layered coordination polymer based on an azodibenzoate linker connected to aluminium (MIL-129)","CrystEngComm","2010","12","10","3225","","10.1039/c002214d","","","0.9613","synchrotron","","0.0845","0.0709","","","0.1784","0.1891","","","","","","1.087","","","","has coordinates","244095","2020-10-21","18:00:00",""
"7238240","13.197","0.006","9.59","0.004","14.161","0.006","90","","98.895","0.007","90","","1770.7","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Cd2 N4 O12 -","- C10 H20 Cd2 N4 O12 -","- C40 H80 Cd8 N16 O48 -","4","0.5","","Li, Guoliang; Lü, Jian; Li, Xinfa; Yang, Hongxun; Xu, Bo; Cao, Rong","Coordination polymers of 1,4-piperazinedipropionic acid: domination by flexibility, coordination, and/or configuration?","CrystEngComm","2010","12","11","3780","","10.1039/c002264k","","","0.71073","MoKα","","0.0683","0.0513","","","0.1371","0.1665","","","","","","1.083","","","","has coordinates","244096","2020-10-21","18:00:00",""
"7238241","7.705","0.007","13.169","0.01","6.581","0.006","90","","108.864","0.012","90","","631.9","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O6 Zn2 -","- C10 H18 N2 O6 Zn2 -","- C20 H36 N4 O12 Zn4 -","2","0.5","","Li, Guoliang; Lü, Jian; Li, Xinfa; Yang, Hongxun; Xu, Bo; Cao, Rong","Coordination polymers of 1,4-piperazinedipropionic acid: domination by flexibility, coordination, and/or configuration?","CrystEngComm","2010","12","11","3780","","10.1039/c002264k","","","0.71073","MoKα","","0.0481","0.0317","","","0.0779","0.1092","","","","","","1.081","","","","has coordinates","244096","2020-10-21","18:00:00",""
"7238242","9.955","0.008","7.032","0.005","10.184","0.008","90","","98.489","0.011","90","","705.1","0.9","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cu N2 O7 -","- C10 H22 Cu N2 O7 -","- C20 H44 Cu2 N4 O14 -","2","1","","Li, Guoliang; Lü, Jian; Li, Xinfa; Yang, Hongxun; Xu, Bo; Cao, Rong","Coordination polymers of 1,4-piperazinedipropionic acid: domination by flexibility, coordination, and/or configuration?","CrystEngComm","2010","12","11","3780","","10.1039/c002264k","","","0.71073","MoKα","","0.0365","0.0339","","","0.0659","0.0672","","","","","","1.021","","","","has coordinates","244096","2020-10-21","18:00:00",""
"7238243","22.0528","0.0018","6.3612","0.0005","24.693","0.002","90","","90","","90","","3464","0.5","115","2","115","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C168 H160 O32 -","8","1","","Iwase, Noriaki; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Molecular recognition of bisphenol A and its derivatives using p-benzoquinone","CrystEngComm","2010","12","10","3195","","10.1039/c002812f","","","0.71073","MoKα","","0.0571","0.0464","","","0.1122","0.1184","","","","","","1.053","","","","has coordinates","244097","2020-10-21","18:00:00",""
"7238244","6.6512","0.0005","23.512","0.0017","12.0859","0.0009","90","","95.602","0.001","90","","1881","0.2","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 F6 O4 -","- C21 H14 F6 O4 -","- C84 H56 F24 O16 -","4","1","","Iwase, Noriaki; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Molecular recognition of bisphenol A and its derivatives using p-benzoquinone","CrystEngComm","2010","12","10","3195","","10.1039/c002812f","","","0.71073","MoKα","","0.0542","0.0409","","","0.0954","0.1016","","","","","","1.039","","","","has coordinates","244097","2020-10-21","18:00:00",""
"7238245","22.4272","0.0017","6.1401","0.0005","11.1047","0.0009","90","","103.384","0.001","90","","1487.6","0.2","115","2","115","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O4 -","- C19 H16 O4 -","- C76 H64 O16 -","4","1","","Iwase, Noriaki; Kinuta, Takafumi; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Molecular recognition of bisphenol A and its derivatives using p-benzoquinone","CrystEngComm","2010","12","10","3195","","10.1039/c002812f","","","0.71073","MoKα","","0.0563","0.0451","","","0.1069","0.1129","","","","","","1.046","","","","has coordinates","244097","2020-10-21","18:00:00",""
"7238246","10.2936","0.0006","13.0927","0.0008","24.4245","0.0015","90","","96.836","0.003","90","","3268.3","0.3","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 O5 -","- C43 H34 O5 -","- C172 H136 O20 -","4","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.7107","MoKα","","0.1008","0.0777","","","0.1686","0.1806","","","","","","1.172","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238247","22.069","0.007","8.189","0.003","28.795","0.009","90","","109.128","0.005","90","","4917","3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 N3 O5 -","- C58 H46 N3 O5 -","- C232 H184 N12 O20 -","4","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.71073","MoKα","","0.1178","0.0672","","","0.1726","0.2138","","","","","","1.038","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238248","10.7093","0.0007","8.1477","0.0004","12.8858","0.0008","90","","102.935","0.003","90","","1095.83","0.11","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C52 H52 O10 -","2","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.7107","MoKα","","0.045","0.038","","","0.083","0.0864","","","","","","0.999","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238249","21.878","0.011","8.005","0.004","29.006","0.014","90","","92.085","0.008","90","","5077","4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31.5 H25 N2 O3.5 -","- C31.5 H25 N2 O3.5 -","- C252 H200 N16 O28 -","8","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.71073","MoKα","","0.0953","0.051","","","0.1453","0.183","","","","","","1.058","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238250","12.7629","0.0017","15.811","0.002","16.351","0.002","90","","97.546","0.002","90","","3271","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 N4 O3 -","- C40 H30 N4 O3 -","- C160 H120 N16 O12 -","4","1","","Zhang, Chun; Chen, Chuan-Feng","Synthesis and analysis of hydroxyl substituted triptycene adducts: the competitive recognition between the hydroxyl substituted triptycenes with 4, 4′-bipyridine and solvent molecules","CrystEngComm","2010","12","10","3255","","10.1039/c002943b","","","0.71073","MoKα","","0.1266","0.0485","","","0.1167","0.1554","","","","","","0.981","","","","has coordinates","244098","2020-10-21","18:00:00",""
"7238251","33.225","0.004","9.851","0.001","17.7341","0.0019","90","","99.335","0.002","90","","5727.5","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Me2NH2)2(Co3(1,4-bdc)4)4DMF","","","- C48 H60 Co3 N6 O20 -","- C48 H60 Co3 N6 O20 -","- C192 H240 Co12 N24 O80 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Xue, Wei; Qi, Xiao-Lin; Chen, Xiao-Ming","Two temperature-induced isomers of metal-carboxylate frameworks based on different linear trinuclear Co3(RCOO)8 clusters exhibiting different magnetic behaviours","CrystEngComm","2010","12","11","3834","","10.1039/c003032e","","","0.71073","MoKα","","0.1106","0.095","","","0.2537","0.2685","","","","","","1.033","","","","has coordinates,has disorder","244099","2020-10-21","18:00:00",""
"7238252","33.232","0.004","9.767","0.0012","18.311","0.002","90","","92.609","0.002","90","","5937.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Me2NH2)2(Co3(1,4-bdc)4)4DMF","","","- C48 H60 Co3 N6 O20 -","- C48 H60 Co3 N6 O20 -","- C192 H240 Co12 N24 O80 -","4","0.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Xue, Wei; Qi, Xiao-Lin; Chen, Xiao-Ming","Two temperature-induced isomers of metal-carboxylate frameworks based on different linear trinuclear Co3(RCOO)8 clusters exhibiting different magnetic behaviours","CrystEngComm","2010","12","11","3834","","10.1039/c003032e","","","0.71073","MoKα","","0.1158","0.0739","","","0.1986","0.2298","","","","","","1.049","","","","has coordinates,has disorder","244099","2020-10-21","18:00:00",""
"7238253","10.234","0.006","12.233","0.008","19.624","0.012","75.101","0.01","86.624","0.01","68.199","0.01","2203","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cl2 N6 O10 Ru -","- C42 H38 Cl2 N6 O10 Ru -","- C84 H76 Cl4 N12 O20 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.0953","0.0803","","","0.214","0.2268","","","","","","1.082","","","","has coordinates","244100","2020-10-21","18:00:00",""
"7238254","14.987","0.002","17.376","0.002","20.581","0.003","85.807","0.002","69.379","0.002","71.147","0.002","4742.1","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Cl2 N6 O5 Ru -","- C46 H42 Cl2 N6 O5 Ru -","- C184 H168 Cl8 N24 O20 Ru4 -","4","2","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.1108","0.0593","","","0.1478","0.179","","","","","","1.08","","","","has coordinates,has disorder","244100","2020-10-21","18:00:00",""
"7238255","10.8745","0.0017","22.564","0.004","19.08","0.003","90","","104.691","0.003","90","","4528.6","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Fe N6 O12 S -","- C44 H48.5 Fe N6 O12 S -","- C176 H194 Fe4 N24 O48 S4 -","4","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.1133","0.0668","","","0.1573","0.1844","","","","","","1.05","","","","has coordinates,has disorder","244100","2020-10-21","18:00:00",""
"7238256","10.2954","0.0011","29.813","0.003","20.198","0.002","90","","100.254","0.002","90","","6100.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 N8 Ni O23 Ru -","- C56 H58 N8 Ni O23 Ru -","- C224 H232 N32 Ni4 O92 Ru4 -","4","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.0724","0.0425","","","0.0848","0.0968","","","","","","1.023","","","","has coordinates,has disorder","244100","2020-10-21","18:00:00",""
"7238257","9.1806","0.0008","15.0165","0.0014","19.4587","0.0018","83.288","0.002","80.129","0.002","74.624","0.002","2541.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 N6 O10 Ru S2 -","- C56 H50 N6 O10 Ru S2 -","- C112 H100 N12 O20 Ru2 S4 -","2","1","","McMurtrie, John; Dance, Ian","Alternative two-dimensional embrace nets formed by metal complexes of 4′-phenylterpyridine crystallised with hydrophilic anions","CrystEngComm","2010","12","10","3207","","10.1039/c003035j","","","0.71073","MoKα","","0.0445","0.0351","","","0.0759","0.0803","","","","","","1.048","","","","has coordinates","244100","2020-10-21","18:00:00",""
"7238258","10.7037","0.0015","10.7037","0.0015","15.839","0.003","90","","90","","90","","1814.7","0.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C16 H12 Cd N10 O2 -","- C16 H12 Cd N10 O2 -","- C64 H48 Cd4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0296","0.0292","","","0.0552","0.0553","","","","","","1.23","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238259","7.3812","0.0015","9.886","0.002","12.798","0.003","90","","106.76","0.03","90","","894.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag N5 O -","- C8 H6 Ag N5 O -","- C32 H24 Ag4 N20 O4 -","4","1","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0669","0.0582","","","0.092","0.0952","","","","","","1.234","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238260","9.6804","0.0019","8.6933","0.0017","19.83","0.004","90","","90","","90","","1668.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Mn N10 O2 -","- C16 H12 Mn N10 O2 -","- C64 H48 Mn4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0632","0.0611","","","0.1001","0.1009","","","","","","1.336","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238261","9.5801","0.0019","8.4014","0.0017","20.163","0.004","90","","90","","90","","1622.8","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cu N10 O2 -","- C16 H12 Cu N10 O2 -","- C64 H48 Cu4 N40 O8 -","4","0.5","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0894","0.0873","","","0.1354","0.1361","","","","","","1.39","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238262","6.9973","0.0014","10.231","0.002","24.861","0.005","90","","93.06","0.03","90","","1777.2","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N10 O2 Pb -","- C16 H12 N10 O2 Pb -","- C64 H48 N40 O8 Pb4 -","4","1","","Wang, Y.-B.; Liu, D.-S.; Pan, T.-H.; Liang, Q.; Huang, X.-H.; Wu, S.-T.; Huang, C.-C.","Structural variation from 1D to 3D: effect of metal centers on the construction of metal‒organic coordination polymers with N-(1H-tetrazol-5-yl)benzamide ligand","CrystEngComm","2010","12","11","3886","","10.1039/c003502e","","","0.71073","MoKα","","0.0453","0.0409","","","0.1002","0.1036","","","","","","1.052","","","","has coordinates","244101","2020-10-21","18:00:00",""
"7238263","7.3372","0.0006","10.6553","0.0008","10.6128","0.0008","90","","97.705","0.001","90","","822.22","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H11 N O7 P2 -","- C2 H11 N O7 P2 -","- C8 H44 N4 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0331","0.0309","","","0.0863","0.0885","","","","","","1.066","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238264","10.9976","0.0009","6.9889","0.0006","12.5997","0.001","90","","113.564","0.001","90","","887.67","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H13 N O7 P2 -","- C3 H13 N O7 P2 -","- C12 H52 N4 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0322","0.0306","","","0.0869","0.0879","","","","","","1.074","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238265","5.6936","0.0007","8.1718","0.001","10.6221","0.0012","72.749","0.002","79.075","0.002","84.784","0.002","463.11","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H15 N2 O6 P2 -","- C4 H15 N2 O6 P2 -","- C8 H30 N4 O12 P4 -","2","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0296","0.0285","","","0.0772","0.078","","","","","","1.076","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238266","23.557","0.0017","5.7463","0.0004","18.8938","0.0013","90","","121.96","0.001","90","","2169.9","0.3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H16 N2 O6 P2 -","- C5 H14 N2 O6 P2 -","- C40 H112 N16 O48 P16 -","8","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0333","0.0311","","","0.0916","0.0937","","","","","","1.091","","","","has coordinates,has disorder","244102","2020-10-21","18:00:00",""
"7238267","8.7719","0.0006","11.5346","0.0008","12.2848","0.0009","90","","90","","90","","1242.98","0.15","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H21 N3 O7 P2 -","- C5 H21 N3 O7 P2 -","- C20 H84 N12 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0217","0.0212","","","0.0588","0.0592","","","","","","1.074","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238268","9.9533","0.0008","6.9947","0.0006","18.0126","0.0015","90","","103.36","0.001","90","","1220.11","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H21 N3 O7 P2 -","- C5 H21 N3 O7 P2 -","- C20 H84 N12 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0283","0.0265","","","0.0798","0.0809","","","","","","1.094","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238269","5.7306","0.0005","19.9861","0.0018","11.2688","0.001","90","","101.342","0.001","90","","1265.44","0.19","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H21 N3 O7 P2 -","- C6 H21 N3 O7 P2 -","- C24 H84 N12 O28 P8 -","4","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0288","0.0267","","","0.0786","0.08","","","","","","1.083","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238270","19.629","0.008","6.963","0.003","20.786","0.011","90","","117.99","0.005","90","","2509","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 N2 O9 P2 -","- C4 H20 N2 O9 P2 -","- C32 H160 N16 O72 P16 -","8","1","","Chen, Shuo-ping; Zhang, Yu-qin; Hu, Le; He, Hong-zhen; Yuan, Liang-jie","Hydrogen-bonded assembly of aminophosphonic anions: different 1D, 2D and 3D supramolecular architectures","CrystEngComm","2010","12","10","3327","","10.1039/c003756g","","","0.71073","MoKα","","0.0298","0.0274","","","0.0765","0.0784","","","","","","1.118","","","","has coordinates","244102","2020-10-21","18:00:00",""
"7238271","10.2183","0.0013","11.3812","0.0014","12.9323","0.0016","113.731","0.002","94.737","0.003","101.552","0.002","1326.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 Co2 N3 O12 -","- C25 H28 Co2 N3 O12 -","- C50 H56 Co4 N6 O24 -","2","1","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","0.71073","MoKα","","0.0755","0.0553","","","0.1175","0.1288","","","","","","1.028","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238272","25.741","0.013","11.376","0.005","19.605","0.009","90","","114.165","0.009","90","","5238","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H54 Co4 N6 O23 -","- C50 H54 Co4 N6 O23 -","- C200 H216 Co16 N24 O92 -","4","0.5","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","0.71073","MoKα","","0.1566","0.0575","","","0.0829","0.1113","","","","","","0.821","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238273","7.3292","0.0006","20.3154","0.0014","9.9169","0.0008","90","","99.256","0.008","90","","1457.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Co2 N4 O10 -","- C30 H28 Co2 N4 O10 -","- C60 H56 Co4 N8 O20 -","2","0.5","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","1.54178","CuKα","","0.0691","0.0434","","","0.086","0.0907","","","","","","0.853","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238274","6.5613","0.0013","24.646","0.005","11.088","0.002","90","","99.26","0.03","90","","1769.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Co2 N4 O14 -","- C34 H36 Co2 N4 O14 -","- C68 H72 Co4 N8 O28 -","2","0.5","","Ou, Yong-Cong; Liu, Wen-Ting; Leng, Ji-Dong; Lin, Zhuo-Jia; Tong, Ming-Liang","Coordination polymers of the conformation-flexible 1,2,4,5-cyclohexanetetracarboxylate: synthesis, structures and transforming mechanism studies","CrystEngComm","2010","12","11","3748","","10.1039/c003764h","","","0.71073","MoKα","","0.1324","0.0634","","","0.145","0.184","","","","","","1.043","","","","has coordinates","244103","2020-10-21","18:00:00",""
"7238275","18.4312","0.0016","18.4312","0.0016","9.3905","0.0008","90","","90","","90","","3190","0.5","293","2","293","2","","","100","","","","","5","P 4/n :2","-P 4a","85","Ni2(2,6-ndc)2(dabco)-DUT-8(Ni)","","","- C30 H24 N2 Ni2 O8 -","- C30.08 H24.16 N2 Ni2 O8 -","- C60.16 H48.32 N4 Ni4 O16 -","2","0.25","","Klein, Nicole; Herzog, Christin; Sabo, Michal; Senkovska, Irena; Getzschmann, Jürgen; Paasch, Silvia; Lohe, Martin R.; Brunner, Eike; Kaskel, Stefan","Monitoring adsorption-induced switching by (129)Xe NMR spectroscopy in a new metal-organic framework Ni(2)(2,6-ndc)(2)(dabco).","Physical chemistry chemical physics : PCCP","2010","12","37","11778","11784","10.1039/c003835k","","","0.71073","MoKα","","0.2418","0.1546","","","0.3428","0.3858","","","","","","1.094","","","","has coordinates","244104","2020-10-21","18:00:00",""
"7238276","14.3232","0.0009","16.4424","0.0011","13.4342","0.0008","90","","101.32","0.003","90","","3102.3","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N,N',N'-tetraacetyl-a,a'-diamino-m-xylene","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C128 H160 N16 O32 -","8","1","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0605","0.0427","","","0.1095","0.1182","","","","","","0.998","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238277","12.5627","0.0005","13.5463","0.0004","9.3888","0.0003","90","","95.444","0.002","90","","1590.56","0.09","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N,N',N'-tetraacetyl-alpha,alpha'-diamino-p-xylene","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0529","0.0461","","","0.1151","0.119","","","","","","1.126","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238278","9.5245","0.0006","10.33","0.0007","8.7471","0.0006","90","","106.108","0.004","90","","826.82","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","NAP-12 tetraacetyl 1,5-naphthalenediamine","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0742","0.0497","","","0.1508","0.1694","","","","","","1.045","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238279","12.3457","0.0013","5.8212","0.0006","10.0737","0.001","90","","107.176","0.007","90","","691.68","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N,N',N'-tetraacetyl 1,4-cyclohexanediamine","","- C14 H22 N2 O4 -","- C14 H22 N2 O4 -","- C28 H44 N4 O8 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0751","0.068","","","0.1739","0.183","","","","","","1.331","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238280","5.915","0.0004","10.1956","0.0007","9.1495","0.0007","90","","96.388","0.005","90","","548.35","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N,N',N'-tetraacetyl ethylenediamine","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C20 H32 N4 O8 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0652","0.061","","","0.1556","0.1608","","","","","","1.104","","","","has coordinates,has disorder","244105","2020-10-21","18:00:00",""
"7238281","7.3645","0.0004","12.3273","0.0007","11.7535","0.0006","90","","100.6","0.003","90","","1048.83","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-tetraacetyl 1,4-diaminobutane Cu(OH2)2 (ClO4)2 (H2O)2","","- C12 H24 Cl2 Cu N2 O14 -","- C12 H24 Cl2 Cu N2 O14 -","- C24 H48 Cl4 Cu2 N4 O28 -","2","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0559","0.0459","","","0.1106","0.1203","","","","","","1.051","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238282","14.7246","0.0015","11.3474","0.0011","7.8352","0.0008","90","","90.917","0.005","90","","1309","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tetraacetyl 1,4-butanediamine","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","0.5","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0801","0.0635","","","0.1625","0.1776","","","","","","1.103","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238283","20.0183","0.0005","4.543","0.0001","20.597","0.0005","90","","110.986","0.001","90","","1748.91","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N,N',N'-tetraacetyl-1,8-diaminooctane","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C64 H112 N8 O16 -","4","1","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.0501","0.0424","","","0.1351","0.1408","","","","","","1.14","","","","has coordinates","244105","2020-10-21","18:00:00",""
"7238284","20.223","0.003","7.9438","0.0012","14.875","0.002","90","","97.797","0.009","90","","2367.5","0.6","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Zn(OH2)2 (Ac2N-(CH2)6-NAc2)","","- C14 H28 Cl2 N2 O14 Zn -","- C14 H28 Cl2 N2 O14 Zn -","- C56 H112 Cl8 N8 O56 Zn4 -","4","1","","Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar","Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates","CrystEngComm","2010","12","10","3218","","10.1039/c004168h","","","0.71073","MoKα","","0.1386","0.0714","","","0.1623","0.1895","","","","","","0.874","","","","has coordinates,has disorder","244105","2020-10-21","18:00:00",""
"7238285","11.2192","0.0006","11.2192","","32.2233","0.0018","90","","90","","120","","3512.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 31","P 31","144","","","","- C57 H40 O4 S6 -","- C57 H40 O4 S6 -","- C171 H120 O12 S18 -","3","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","x-ray","0.71073","MoKα","","0.0356","0.0349","","","0.0779","0.082","","","","","","1.161","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238286","11.2067","0.0006","11.207","","32.115","0.002","90","","90","","120","","3493.1","0.3","293","2","293","2","","","","","","","","4","P 32","P 32","145","Dithiolone-thione (R)-3","","","- C57 H40 O4 S6 -","- C57 H40 O4 S6 -","- C171 H120 O12 S18 -","3","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0947","0.0864","","","0.2189","0.2246","","","","","","1.123","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238287","11.181","0.002","8.5699","0.0017","41.84","0.008","90","","90","","90","","4009.1","1.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C200 H128 O24 S16 -","8","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1127","0.0418","","","0.1082","0.1612","","","","","","1.014","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238288","7.828","0.0018","11.193","0.003","17.395","0.004","72.117","0.012","88.424","0.013","71.483","0.013","1371.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Binapth-TTF(CO2Me)2","","","- C32 H22 O6 S4 -","- C32 H22 O6 S4 -","- C64 H44 O12 S8 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0462","0.0352","","","0.0895","0.0972","","","","","","1.022","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238289","7.895","0.006","37.71","0.02","10.367","0.004","90","","103.31","0.04","90","","3004","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H48 N4 O9 S8 -","- C64 H48 N4 O9 S8 -","- C128 H96 N8 O18 S16 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.2219","0.0741","","","0.0753","0.0999","","","","","","1.004","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238290","11.444","0.005","8.203","0.005","19.741","0.005","90","0.005","106.302","0.005","90","0.005","1778.7","1.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H36 N2 O6 S4 -","- C38 H36 N2 O6 S4 -","- C76 H72 N4 O12 S8 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1622","0.0697","","","0.1239","0.1577","","","","","","0.969","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238291","8.4779","0.0009","11.7236","0.0018","20.177","0.003","90","","91.735","0.008","90","","2004.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C100 H64 O12 S8 -","4","2","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.1291","0.0725","","","0.1717","0.2005","","","","","","1.03","","","","has coordinates,has disorder","244106","2020-10-21","18:00:00",""
"7238292","35.007","0.013","7.425","0.002","11.354","0.005","90","","105.52","0.03","90","","2843.6","1.9","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C32 H22 O6 S4 -","- C32 H22 O6 S4 -","- C128 H88 O24 S16 -","4","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","x-ray","0.71073","MoKα","","0.0732","0.0594","","","0.1172","0.1237","","","","","","1.08","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238293","11.4261","0.0006","8.1962","0.0004","19.7771","0.0008","90","","104.035","0.006","90","","1796.85","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H32 N2 O6 S6 -","- C34 H32 N2 O6 S6 -","- C68 H64 N4 O12 S12 -","2","1","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0954","0.0525","","","0.104","0.1208","","","","","","1.037","","","","has coordinates,has disorder","244106","2020-10-21","18:00:00",""
"7238294","8.4781","0.0005","11.7306","0.0007","20.1726","0.0009","90","","91.661","0.006","90","","2005.39","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H16 O3 S2 -","- C25 H16 O3 S2 -","- C100 H64 O12 S8 -","4","2","","Saad, Ali; Jeannin, Olivier; Fourmigué, Marc","Helical organization of chiral binaphthyl tetrathiafulvalene primary amides through hydrogen bonding interactions","CrystEngComm","2010","12","11","3866","","10.1039/c004320f","","","0.71073","MoKα","","0.0912","0.0677","","","0.1784","0.1947","","","","","","1.033","","","","has coordinates","244106","2020-10-21","18:00:00",""
"7238295","27.6611","0.0018","10.8856","0.0007","20.7761","0.0014","90","","110.693","0.001","90","","5852.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag N4 Nd O13 -","- C28 H22 Ag N4 Nd O13 -","- C224 H176 Ag8 N32 Nd8 O104 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0445","0.0411","","","0.1075","0.1102","","","","","","1.072","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238296","27.543","0.003","10.809","0.0011","20.637","0.002","90","","110.706","0.002","90","","5747","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag N4 O13 Sm -","- C28 H22 Ag N4 O13 Sm -","- C224 H176 Ag8 N32 O104 Sm8 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0461","0.0401","","","0.114","0.118","","","","","","1.041","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238297","27.647","0.003","10.9007","0.001","20.8067","0.0019","90","","110.571","0.001","90","","5870.7","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag Eu N4 O13 -","- C28 H22 Ag Eu N4 O13 -","- C224 H176 Ag8 Eu8 N32 O104 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0508","0.0475","","","0.1357","0.138","","","","","","1.044","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238298","27.607","0.002","10.7939","0.001","20.6785","0.0019","90","","110.828","0.001","90","","5759.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag Gd N4 O13 -","- C28 H22 Ag Gd N4 O13 -","- C224 H176 Ag8 Gd8 N32 O104 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0522","0.0492","","","0.1409","0.144","","","","","","1.087","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238299","27.572","0.002","10.7584","0.0008","20.6212","0.0016","90","","110.856","0.001","90","","5716.1","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Ag N4 O13 Tb -","- C28 H22 Ag N4 O13 Tb -","- C224 H176 Ag8 N32 O104 Tb8 -","8","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0524","0.0471","","","0.1302","0.1353","","","","","","0.976","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238300","10.5151","0.001","11.19","0.0011","13.7534","0.0013","107.969","0.002","106.787","0.001","103.22","0.002","1381.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag La N4 O11 -","- C28 H18 Ag La N4 O11 -","- C56 H36 Ag2 La2 N8 O22 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0353","0.0334","","","0.0913","0.0926","","","","","","1.035","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238301","10.499","0.002","11.141","0.002","13.738","0.003","107.772","0.003","106.823","0.003","102.759","0.004","1377.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag N4 O11 Pr -","- C28 H18 Ag N4 O11 Pr -","- C56 H36 Ag2 N8 O22 Pr2 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0368","0.036","","","0.0966","0.0974","","","","","","1.031","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238302","10.4585","0.0011","11.0901","0.0012","13.689","0.0015","107.747","0.002","106.852","0.001","102.64","0.002","1362.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 Ag N4 Nd O11 -","- C28 H18 Ag N4 Nd O11 -","- C56 H36 Ag2 N8 Nd2 O22 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0359","0.0331","","","0.0829","0.0843","","","","","","1.014","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238303","9.8607","0.001","11.3727","0.0012","13.7453","0.0014","73.704","0.002","70.747","0.001","83.917","0.002","1396.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Ag Dy N4 O12 -","- C28 H20 Ag Dy N4 O12 -","- C56 H40 Ag2 Dy2 N8 O24 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0487","0.045","","","0.1191","0.121","","","","","","1.015","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238304","9.8334","0.0014","11.3098","0.0017","13.721","0.002","73.916","0.003","70.673","0.002","83.962","0.003","1383.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Ag Er N4 O12 -","- C28 H20 Ag Er N4 O12 -","- C56 H40 Ag2 Er2 N8 O24 -","2","1","","Chen, Man-Sheng; Su, Zhi; Chen, Min; Chen, Shui-Sheng; Li, Yi-Zhi; Sun, Wei-Yin","Three-dimensional lanthanide‒silver heterometallic coordination polymers: syntheses, structures and properties","CrystEngComm","2010","12","10","3267","","10.1039/c005207h","","","0.71073","MoKα","","0.0401","0.0359","","","0.0937","0.1002","","","","","","1.063","","","","has coordinates","244108","2020-10-21","18:00:00",""
"7238305","4.8532","0.0006","13.938","0.0018","21.639","0.003","90","","90","","90","","1463.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N2 O6 S2 Zn -","- C12 H10 N2 O6 S2 Zn -","- C48 H40 N8 O24 S8 Zn4 -","4","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0382","0.0299","","","0.0704","0.0737","","","","","","0.884","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238306","11.551","0.014","19.65","0.02","12.34","0.016","90","","102.913","0.018","90","","2730","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 N4 O10 S2 Zn -","- C22 H26 N4 O10 S2 Zn -","- C88 H104 N16 O40 S8 Zn4 -","4","0.5","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.2422","0.1145","","","0.255","0.2699","","","","","","1.065","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238307","7.5238","0.0006","21.9578","0.0017","33.012","0.003","90","","95.252","0.001","90","","5430.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 N9 O12 S4 Zn2 -","- C54 H45 N9 O12 S4 Zn2 -","- C216 H180 N36 O48 S16 Zn8 -","4","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.1066","0.0519","","","0.1135","0.1258","","","","","","1.022","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238308","9.3823","0.0012","12.2541","0.0016","12.379","0.003","113.038","0.003","92.382","0.003","112.13","0.002","1183","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Cu2 N8 O12 S4 -","- C46 H40 Cu2 N8 O12 S4 -","- C46 H40 Cu2 N8 O12 S4 -","1","0.5","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0457","0.0356","","","0.1022","0.1067","","","","","","1.009","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238309","7.5515","0.0003","11.1038","0.0005","16.2388","0.0007","108.814","0.001","92.037","0.001","97.01","0.001","1275.17","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22.48 Cu N4 O8.24 S2 -","- C22 H20.96 Cu N4 O8.24 S2 -","- C44 H41.92 Cu2 N8 O16.48 S4 -","2","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0448","0.0385","","","0.103","0.1065","","","","","","1.072","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238310","8.522","0.009","10.18","0.011","17.534","0.019","90","","100.627","0.013","90","","1495","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Cu N2 O6 S -","- C12 H13 Cu N2 O6 S -","- C48 H52 Cu4 N8 O24 S4 -","4","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.136","0.0698","","","0.139","0.168","","","","","","1.042","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238311","8.8779","0.0016","11.91","0.002","12.284","0.002","91.799","0.003","93.476","0.003","102.816","0.003","1262.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H14 Cd2 N4 O4 S2 -","- C24 H14 Cd2 N4 O4 S2 -","- C48 H28 Cd4 N8 O8 S4 -","2","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0988","0.0571","","","0.1416","0.1597","","","","","","1.078","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238312","16.202","0.007","22.691","0.01","16.772","0.01","90","","114.511","0.008","90","","5610","5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20.4 Cd N4 O6.2 S2 -","- C24 H20.4 Cd N4 O6.2 S2 -","- C192 H163.2 Cd8 N32 O49.6 S16 -","8","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.1127","0.0571","","","0.1478","0.1717","","","","","","0.889","","","","has coordinates,has disorder","244109","2020-10-21","18:00:00",""
"7238313","14.222","0.003","28.141","0.006","16.88","0.003","90","","102.59","0.03","90","","6593","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 Cu F12 N6 P2 -","- C29 H26 Cu F12 N6 P2 -","- C232 H208 Cu8 F96 N48 P16 -","8","2","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0448","0.0414","","","0.1108","0.1134","","","","","","1.099","","","","has coordinates","244115","2020-10-21","18:00:00",""
"7238314","17.011","0.003","10.486","0.002","16.317","0.003","90","","106.79","0.03","90","","2786.5","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Cu F12 N5 P2 -","- C25 H19 Cu F12 N5 P2 -","- C100 H76 Cu4 F48 N20 P8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0412","0.0406","","","0.1119","0.1127","","","","","","1.105","","","","has coordinates","244115","2020-10-21","18:00:00",""
"7238315","16.406","0.003","20.617","0.004","8.9854","0.0018","90","","90","","90","","3039.2","1","223","2","223","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C29 H23 Cu F12 N5 P2 -","- C29 H23 Cu F12 N5 P2 -","- C116 H92 Cu4 F48 N20 P8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0474","0.0466","","","0.1109","0.1115","","","","","","1.214","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238316","8.3566","0.0017","29.699","0.006","14.607","0.003","90","","94.78","0.03","90","","3612.6","1.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H54 Cu2 F24 N12 O5 P4 -","- C64 H52 Cu2 F24 N12 O5 P4 -","- C128 H104 Cu4 F48 N24 O10 P8 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0712","0.0591","","","0.1452","0.1536","","","","","","1.063","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238317","19.703","0.004","11.221","0.002","15.989","0.003","90","","111.56","0.03","90","","3287.6","1.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H100 Cu4 F48 N20 O4 P8 -","- C108 H94 Cu4 F48 N20 O4 P8 -","- C108 H94 Cu4 F48 N20 O4 P8 -","1","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0642","0.0595","","","0.1657","0.1707","","","","","","1.082","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238318","11.257","0.002","13.441","0.003","24.554","0.005","90","","101.57","0.03","90","","3639.7","1.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 Cu F12 N5 P2 -","- C37 H27 Cu F12 N5 P2 -","- C148 H108 Cu4 F48 N20 P8 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0557","0.0509","","","0.1249","0.1282","","","","","","1.075","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238319","11.866","0.002","14.572","0.003","22.212","0.004","86.03","0.03","76.02","0.03","88.28","0.03","3717.7","1.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C115 H108.5 Cu4 F48 N21.5 O4 P8 S4 -","- C115 H102.5 Cu4 F48 N21.5 O4 P8 S4 -","- C115 H102.5 Cu4 F48 N21.5 O4 P8 S4 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Price, Jason R.; Zampese, Jennifer A.","When five are six: the myth of five-coordinate copper(ii) in supramolecular chemistry","CrystEngComm","2010","12","10","3163","","10.1039/c0ce00019a","","","0.71073","MoKα","","0.0712","0.0655","","","0.1722","0.1779","","","","","","1.078","","","","has coordinates,has disorder","244115","2020-10-21","18:00:00",""
"7238320","5.021","0.0005","13.128","0.0011","13.2385","0.0012","105.164","0.007","98.715","0.008","100.835","0.008","808.48","0.14","183","2","183","2","","","","","","","","5","P -1","-P 1","2","5-fluoro-1-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione","5-fluoro-1-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione","","- C7 H9 F N2 O3 -","- C7 H9 F N2 O3 -","- C28 H36 F4 N8 O12 -","4","2","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Mata, Ignasi; Molins, Elies; Deyà, Pere M.","Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine‒fluorine noncovalent interactions","CrystEngComm","2010","12","11","3758","","10.1039/c0ce00048e","","","0.7107","MoKα","","0.116","0.0637","","","0.1697","0.1846","","","","","","1.135","","","","has coordinates","244116","2020-10-21","18:00:00",""
"7238321","8.44","0.005","5.117","0.002","26.516","0.011","90","","95.37","0.04","90","","1140.1","0.9","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 F N2 O5 -","- C9 H13 F N2 O5 -","- C36 H52 F4 N8 O20 -","4","1","","Barceló-Oliver, Miquel; Estarellas, Carolina; García-Raso, Angel; Terrón, Angel; Frontera, Antonio; Quiñonero, David; Mata, Ignasi; Molins, Elies; Deyà, Pere M.","Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine‒fluorine noncovalent interactions","CrystEngComm","2010","12","11","3758","","10.1039/c0ce00048e","","x-ray","0.71073","MoKα","","0.1651","0.0675","","","0.2066","0.2683","","","","","","0.791","","","","has coordinates","244116","2020-10-21","18:00:00",""
"7238322","7.4213","0.0004","7.6629","0.0005","8.9501","0.0005","80.468","0.001","79.331","0.001","63.62","0.001","446.08","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cd N6 O8 -","- C16 H16 Cd N6 O8 -","- C16 H16 Cd N6 O8 -","1","0.5","","Lucas, Jacqueline S.; Pochodylo, Amy L.; LaDuca, Robert L.","Cadmium bis(4-pyridylformyl)piperazine coordination polymers: layered nets and a novel 3,5-connected binodal lattice","CrystEngComm","2010","12","10","3310","","10.1039/c0ce00117a","","","0.71073","MoKα","","0.0354","0.0352","","","0.0911","0.0913","","","","","","1.094","","","","has coordinates","244117","2020-10-21","18:00:00",""
"7238323","7.5591","0.0005","11.1614","0.0008","13.0251","0.0009","76.816","0.001","89.292","0.001","79.61","0.001","1051.95","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Cd Cl2 N8 O17 -","- C32 H32 Cd Cl2 N8 O17 -","- C32 H32 Cd Cl2 N8 O17 -","1","0.5","","Lucas, Jacqueline S.; Pochodylo, Amy L.; LaDuca, Robert L.","Cadmium bis(4-pyridylformyl)piperazine coordination polymers: layered nets and a novel 3,5-connected binodal lattice","CrystEngComm","2010","12","10","3310","","10.1039/c0ce00117a","","","0.71073","MoKα","","0.0637","0.0628","","","0.1741","0.1755","","","","","","1.067","","","","has coordinates,has disorder","244117","2020-10-21","18:00:00",""
"7238324","16.6972","0.0008","10.6293","0.0005","10.8051","0.0005","90","","90.456","0.001","90","","1917.62","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cd N4 O8 S -","- C16 H20 Cd N4 O8 S -","- C64 H80 Cd4 N16 O32 S4 -","4","1","","Lucas, Jacqueline S.; Pochodylo, Amy L.; LaDuca, Robert L.","Cadmium bis(4-pyridylformyl)piperazine coordination polymers: layered nets and a novel 3,5-connected binodal lattice","CrystEngComm","2010","12","10","3310","","10.1039/c0ce00117a","","","0.71073","MoKα","","0.0424","0.0397","","","0.1084","0.1114","","","","","","1.155","","","","has coordinates,has disorder","244117","2020-10-21","18:00:00",""
"7238325","8.1952","0.0009","13.7577","0.0017","13.8979","0.0015","62.529","0.009","79.016","0.009","80.401","0.01","1359.2","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H50 Ag2 B2 F8 N14 -","- C54 H50 Ag2 B2 F8 N14 -","- C54 H50 Ag2 B2 F8 N14 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.0303","0.0295","","","0.078","0.0787","","","","","","1.077","","","","has coordinates,has disorder","244118","2020-10-21","18:00:00",""
"7238326","12.7811","0.0017","13.3183","0.0019","15.009","0.002","88.944","0.011","88.793","0.012","66.108","0.011","2335.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Ag2 B2 F8 N12 -","- C48 H40 Ag2 B2 F8 N12 -","- C96 H80 Ag4 B4 F16 N24 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.0382","0.0317","","","0.0707","0.0734","","","","","","1.095","","","","has coordinates,has disorder","244118","2020-10-21","18:00:00",""
"7238327","15.618","0.003","24.416","0.005","15.972","0.003","90","","97.12","0.03","90","","6044","2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C222 H217 Ag12 B12 F48 N55 O2 -","- C222 H213 Ag12 B12 F48 N55 O2 -","- C222 H213 Ag12 B12 F48 N55 O2 -","1","0.25","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.05","0.0466","","","0.0998","0.1015","","","","","","1.198","","","","has coordinates,has disorder","244118","2020-10-21","18:00:00",""
"7238328","13.1675","0.0015","13.4693","0.0016","13.859","0.0017","66.869","0.009","81.171","0.01","89.39","0.01","2230.3","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H70 Ag4 B4 F16 N24 O3 -","- C88 H64 Ag4 B4 F16 N24 O3 -","- C88 H64 Ag4 B4 F16 N24 O3 -","1","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Same head, different scaffold: a plethora of structural motifs assembled from silver(i) and ditopic 2,2′-bipyridine ligands","CrystEngComm","2010","12","11","3724","","10.1039/c0ce00120a","","","0.71073","MoKα","","0.0723","0.0695","","","0.1753","0.1776","","","","","","1.04","","","","has coordinates","244118","2020-10-21","18:00:00",""
"7238329","8.8282","0.0004","9.3941","0.0004","13.1958","0.0006","90.195","0.001","99.321","0.001","104.272","0.001","1045.51","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Mn2 N2 O10 -","- C19 H18 Mn2 N2 O10 -","- C38 H36 Mn4 N4 O20 -","2","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.0491","0.0406","","","0.1064","0.1139","","","","","","1.055","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238330","8.8979","0.0003","9.3724","0.0003","13.7369","0.0005","90.739","0.001","103.451","0.001","104.086","0.001","1077.72","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Mn2 N2 O10 -","- C21 H18 Mn2 N2 O10 -","- C42 H36 Mn4 N4 O20 -","2","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.0358","0.0325","","","0.086","0.0897","","","","","","1.033","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238331","8.9211","0.0005","15.8053","0.0008","21.9313","0.0012","92.764","0.001","91.575","0.001","90.407","0.001","3087.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H54 Mn4 N8 O21 -","- C66 H54 Mn4 N8 O21 -","- C132 H108 Mn8 N16 O42 -","2","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.1403","0.0789","","","0.1429","0.1793","","","","","","1.052","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238332","8.1398","0.0005","10.4304","0.0006","15.532","0.001","90","","104.846","0.001","90","","1274.67","0.14","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Cd2 O11 -","- C9 H12 Cd2 O11 -","- C36 H48 Cd8 O44 -","4","1","","Yao, Ru-Xin; Hao, Zheng-Ming; Guo, Cai-Hong; Zhang, Xian-Ming","Enantiomers of conformation-flexible cyclopentane-1,2,3,4-tetracarboxylate in metal‒organic frameworks","CrystEngComm","2010","12","12","4416","","10.1039/c0ce00144a","","","0.71073","MoKα","","0.0366","0.0306","","","0.1123","0.139","","","","","","1.193","","","","has coordinates","244119","2020-10-21","18:00:00",""
"7238333","7.4257","0.0015","24.942","0.005","14.488","0.003","90","","103.87","0.03","90","","2605.1","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cd N6 O9 -","- C23 H26 Cd N6 O9 -","- C92 H104 Cd4 N24 O36 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Sheet, ladder or chain? Small substituents in 4′-phenyl-4,2′:6′,4″-terpyridines control dimensionality in cadmium(ii) coordination polymers","CrystEngComm","2010","12","11","3733","","10.1039/c0ce00175a","","","0.71073","MoKα","","0.046","0.0415","","","0.1017","0.1087","","","","","","1.157","","","","has coordinates,has disorder","244120","2020-10-21","18:00:00",""
"7238334","10.59","0.004","11.46","0.006","17.775","0.009","77.232","0.019","75.175","0.016","63.319","0.015","1849.2","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 Cd F6 N6 O11 -","- C34 H35 Cd F6 N6 O11 -","- C68 H70 Cd2 F12 N12 O22 -","2","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71069","MoKα","","0.0395","0.033","","","0.0944","0.1117","","","","","","1.152","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238335","7.838","0.005","11.043","0.005","16.485","0.005","73.063","0.005","80.033","0.005","85.796","0.005","1344","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cd2 F6 N2 O10.5 -","- C24 H17 Cd2 F6 N2 O10.5 -","- C48 H34 Cd4 F12 N4 O21 -","2","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71069","MoKα","","0.0713","0.0366","","","0.0618","0.0682","","","","","","0.885","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238336","7.7343","0.0004","10.9887","0.0008","16.5426","0.001","73.026","0.006","80.561","0.005","85.382","0.005","1325.71","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F6 Mn2 N2 O10.5 -","- C24 H17 F6 Mn2 N2 O10.5 -","- C48 H34 F12 Mn4 N4 O21 -","2","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71073","MoKα","","0.0697","0.0479","","","0.116","0.1216","","","","","","0.935","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238337","11.021","0.003","20.571","0.006","18.561","0.006","90","","105.822","0.01","90","","4049","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 F6 N6 O9 Zn2 -","- C36 H33 F6 N6 O9 Zn2 -","- C144 H132 F24 N24 O36 Zn8 -","4","1","","Zhang, Lai-Ping; Ma, Jian-Fang; Pang, Yuan-Yuan; Ma, Ji-Cheng; Yang, Jin","Four novel topological frameworks based on 4,4′-(hexafluoroisopropylidene)diphthalic acid and 1,1′-(1,4-butanediyl)bis(imidazole) ligand","CrystEngComm","2010","12","12","4433","","10.1039/c0ce00181c","","","0.71069","MoKα","","0.1152","0.0702","","","0.1912","0.2198","","","","","","1.047","","","","has coordinates","244121","2020-10-21","18:00:00",""
"7238338","3.7854","0.0003","46.326","0.005","6.1728","0.0006","90","","104.357","0.006","90","","1048.67","0.18","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","Dimethyl 1,8-naphthyridine-2,7-dicarboxylate","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C48 H40 N8 O16 -","4","1","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.0539","0.0465","","","0.1237","0.1298","","","","","","1.057","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238339","17.7099","0.0006","6.3908","0.0002","11.777","0.0005","90","","99.479","0.002","90","","1314.73","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diethyl 1,8-naphthyridine-2,7-dicarboxylate","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.0795","0.0575","","","0.1303","0.1441","","","","","","1.063","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238340","35.5","0.04","6.307","0.008","8.381","0.01","90","","93.849","0.013","90","","1872","4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dibenzyl 1,8-naphthyridine-2,7-dicarboxylate","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C96 H72 N8 O16 -","4","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.6939","synchrotron","","0.0718","0.0486","","","0.1208","0.1328","","","","","","1.033","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238341","5.0497","0.0003","28.8108","0.0015","6.3242","0.0004","90","","90","","90","","920.08","0.09","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","di-2-(pyridyl)methyl 1,8-naphthyridine-2,7-dicarboxylate","","- C22 H16 N4 O4 -","- C22 H16 N4 O4 -","- C44 H32 N8 O8 -","2","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.1268","0.0854","","","0.1211","0.1296","","","","","","1.831","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7238342","13.4667","0.0006","19.3913","0.001","6.3165","0.0003","90","","90","","90","","1649.47","0.14","120","2","120","2","","","","","","","","3","F d d 2","F 2 -2d","43","","2,7-dimethyl-1,8-naphthyridine","","- C10 H10 N2 -","- C10 H10 N2 -","- C80 H80 N16 -","8","0.5","","Bailey, Andrew James; Horton, Peter Neil; Grossel, Martin Christopher","Self-assembly into infinite tapes by 2,7-disubstituted-1,8-naphthyridines in the solid state","CrystEngComm","2010","12","12","4074","","10.1039/C0CE00243G","","","0.71073","MoKα","","0.0648","0.0574","","","0.114","0.1215","","","","","","1.144","","","","has coordinates","244122","2020-10-21","18:00:00",""
"7244093","20.945","0.004","8.7506","0.0013","21.976","0.004","90","","116.49","0.02","90","","3604.9","1.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C160 H144 N16 O40 -","8","2","","Cossío, Fernando P; de Cózar, Abel; Sierra, Miguel A.; Casarrubios, Luis; Muntaner, Jaime G.; Banik, Bimal K.; Bandyopadhyay, Debasish","Role of imine isomerization in the stereocontrol of the Staudinger reaction between ketenes and imines.","RSC advances","2021","12","1","104","117","10.1039/d1ra06114c","","x-ray","0.71073","MoKα","","0.0725","0.0384","","","0.0721","0.0764","","","","","","0.829","","","","has coordinates,has disorder","275070","2022-05-05","20:56:14",""
"7244094","10.9199","0.0012","20.1342","0.0016","8.5465","0.0009","90","","107.303","0.012","90","","1794","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","1","","Cossío, Fernando P; de Cózar, Abel; Sierra, Miguel A.; Casarrubios, Luis; Muntaner, Jaime G.; Banik, Bimal K.; Bandyopadhyay, Debasish","Role of imine isomerization in the stereocontrol of the Staudinger reaction between ketenes and imines.","RSC advances","2021","12","1","104","117","10.1039/d1ra06114c","","x-ray","0.71073","MoKα","","0.0735","0.0421","","","0.0851","0.0906","","","","","","0.834","","","","has coordinates,has disorder","275070","2022-05-05","20:56:14",""
"7244106","13.0381","0.0003","20.5925","0.0007","7.15692","0.00019","90","","91.598","0.003","90","","1920.79","0.09","149.99","0.1","149.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H21 B Cl N3 O2 -","- C20 H21 B Cl N3 O2 -","- C80 H84 B4 Cl4 N12 O8 -","4","1","","Zheng, Huitao; Xiong, Honggang; Su, Chaobo; Cao, Hua; Yao, Huagang; Liu, Xiang","Photoinduced successive oxidative ring-opening and borylation of indolizines with NHC-boranes.","RSC advances","2021","12","1","470","474","10.1039/d1ra08072e","","x-ray","1.54184","CuKα","","0.0361","0.0346","","","0.0857","0.088","","","","","","1.073","","","","has coordinates","275073","2022-05-05","20:56:50",""
"7244108","9.838","0.002","10.401","0.002","12.2553","0.0017","102.291","0.016","100.426","0.016","103.17","0.02","1157.8","0.4","295","2","295.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O6 -","- C27 H22 N2 O6 -","- C54 H44 N4 O12 -","2","1","","Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N.","Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products.","RSC advances","2021","12","1","578","587","10.1039/d1ra08384h","","x-ray","0.71073","MoKα","","0.1247","0.0672","","","0.154","0.2013","","","","","","1.067","","","","has coordinates","275072","2022-05-05","20:56:30",""
"7244109","11.4672","0.0012","14.0604","0.0014","15.6426","0.0015","99.666","0.008","96.992","0.008","94.581","0.008","2454.8","0.4","295","2","295.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 N3 O5 -","- C30 H21 N3 O5 -","- C120 H84 N12 O20 -","4","2","","Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N.","Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products.","RSC advances","2021","12","1","578","587","10.1039/d1ra08384h","","x-ray","0.71073","MoKα","","0.0984","0.0558","","","0.1314","0.1688","","","","","","1.02","","","","has coordinates,has disorder","275072","2022-05-05","20:56:33",""
"7244110","11.1868","0.0016","11.4255","0.0018","12.2739","0.0016","95.263","0.012","107.966","0.012","103.507","0.013","1428.1","0.4","295.15","","295.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O8 -","- C31 H28 N2 O8 -","- C62 H56 N4 O16 -","2","1","","Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N.","Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products.","RSC advances","2021","12","1","578","587","10.1039/d1ra08384h","","x-ray","0.71073","MoKα","","0.087","0.0592","","","0.1542","0.1804","","","","","","1.045","","","","has coordinates","275072","2022-05-05","20:56:42",""
"7244111","8.7697","0.0018","19.206","0.005","14.48","0.003","90","","94.7","0.02","90","","2430.7","1","295","2","295.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N3 O5 -","- C30 H21 N3 O5 -","- C120 H84 N12 O20 -","4","1","","Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N.","Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products.","RSC advances","2021","12","1","578","587","10.1039/d1ra08384h","","x-ray","0.71073","MoKα","","0.136","0.0652","","","0.1616","0.2173","","","","","","1.019","","","","has coordinates","275072","2022-05-05","20:56:42",""
"7244115","8.6661","0.0009","11.0426","0.0008","12.2572","0.0012","108.672","0.007","102.099","0.008","108.033","0.008","992.66","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","<i>N</i>-[2-(2,4-Dihydroxy-benzylidene-hydrazinocarbonyl)-phenyl]-benzamidemethanol solvate","<i>N</i>-[2-(2,4-Dihydroxy-benzylidene-hydrazinocarbonyl)-phenyl]-benzamidemethanol solvate","","- C22 H21 N3 O5 -","- C22 H21 N3 O5 -","- C44 H42 N6 O10 -","2","1","","Kausar, Naghmana; Murtaza, Shahzad; Arshad, Muhammad Nadeem; Zaib Saleem, Rahman Shah; Asiri, Abdullah M.; Kausar, Samia; Altaf, Ataf Ali; Tatheer, Adina; Elnaggar, Ashraf Y.; El-Bahy, Salah M","Design, synthesis, crystal structure, <i>in vitro</i> cytotoxicity evaluation, density functional theory calculations and docking studies of 2-(benzamido) benzohydrazide derivatives as potent AChE and BChE inhibitors.","RSC advances","2021","12","1","154","167","10.1039/d1ra07221h","","","0.7107","MoKα","","0.1014","0.056","","","0.1203","0.1462","","","","","","1.036","","","","has coordinates","275071","2022-05-05","20:56:21",""
"7244116","8.8132","0.0012","18.052","0.003","10.3523","0.0016","90","","102.448","0.005","90","","1608.3","0.4","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Choi, Seoung-Mi; Kim, Kyeong Do; Park, Jong-Un; Xuan, Zi; Kim, Ju Hyun","Pd-catalyzed [3 + 2] cycloaddition of cyclic ketimines and trimethylenemethanes toward <i>N</i>-fused pyrrolidines bearing a quaternary carbon.","RSC advances","2021","12","2","785","789","10.1039/d1ra08579d","","","0.71073","MoKα","","0.0496","0.0406","","","0.1055","0.1113","","","","","","1.061","","","","has coordinates","275074","2022-05-05","20:57:02",""
"7244136","10.8022","0.0018","14.266","0.002","14.671","0.002","90","","101.96","0.005","90","","2211.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cd Cl2 N4 O4 -","- C17 H16 Cd Cl2 N4 O4 -","- C68 H64 Cd4 Cl8 N16 O16 -","4","1","","Nguyen, Anh Van; Vu, Anh Thi Ngoc; Bazan, Liya V.; Galeev, Ravil T.; Utenyshev, Andrey N.; Markova, Ekaterina B.; Le, Van Thuan; Kovalchukova, Olga V.","Synthesis, characterization, and sorption activity of novel azo-colorants derived from phloroglucinol and antipyrine and their metal complexes.","RSC advances","2021","12","2","888","898","10.1039/d1ra07254d","","","0.71073","MoKα","","0.0794","0.0468","","","0.0879","0.1004","","","","","","1.039","","","","has coordinates","275075","2022-05-05","20:57:12",""
"7244191","6.7305","0.0009","8.917","0.0012","11.7682","0.0015","82.956","0.011","78.846","0.011","88.804","0.011","687.7","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C32 H24 F2 N2 O6 -","2","1","","Mehreen, Saba; Ullah, Aman; Nadeem, Humaira; Dege, Necmi; Naseer, Muhammad Moazzam","Synthesis, solid state self-assembly driven by antiparallel π⋯π stacking and {⋯H–C–C–F}2 dimer synthons, and in vitro acetyl cholinesterase inhibition activity of phenoxy pendant isatins","RSC Advances","2022","12","3","1788","1796","10.1039/D1RA08286H","","","0.71073","MoKα","","0.0553","0.0399","","","0.0977","0.1043","","","","","","0.999","","","","has coordinates","272018","2022-01-13","01:59:11",""
"7244192","12.0845","0.0013","13.1004","0.0016","18.589","0.002","85.241","0.007","73.425","0.006","77.684","0.006","2754.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C112 H134 N6 O20 -","- C112 H134 N6 O20 -","- C112 H134 N6 O20 -","1","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","External-stimulus-triggered conformational inversion of mechanically self-locked pseudo[1]catenane and gemini-catenanes based on A1/A2-alkyne–azide-difunctionalized pillar[5]arenes","RSC Advances","2022","12","3","1797","1806","10.1039/D1RA09043G","","","1.54178","CuKα","","0.2235","0.1423","","","0.3504","0.3949","","","","","","1.067","","","","has coordinates","272019","2022-01-13","01:59:40",""
"7244193","10.7868","0.0012","15.821","0.002","16.455","0.002","93.587","0.007","92.917","0.007","90.911","0.006","2798.5","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C118 H148 N8 O22 -","- C118 H148 N8 O22 -","- C118 H148 N8 O22 -","1","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","External-stimulus-triggered conformational inversion of mechanically self-locked pseudo[1]catenane and gemini-catenanes based on A1/A2-alkyne–azide-difunctionalized pillar[5]arenes","RSC Advances","2022","12","3","1797","1806","10.1039/D1RA09043G","","","1.54178","CuKα","","0.1555","0.1177","","","0.2613","0.2797","","","","","","1.256","","","","has coordinates","272019","2022-01-13","01:59:40",""
"7244194","8.575","0.0002","9.082","0.0004","12.93","0.0004","76.03","0.002","83.16","0.002","69.5","0.002","914.64","0.06","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 Cl4 N4 Pd2 -","- C10 H24 Cl4 N4 Pd2 -","- C20 H48 Cl8 N8 Pd4 -","2","1","","Ragab, Mona S.; Shehata, Mohamed R.; Shoukry, Mohamed M.; Haukka, Matti; Ragheb, Mohamed A.","Oxidative DNA cleavage mediated by a new unexpected [Pd(BAPP)][PdCl4] complex (BAPP = 1,4-bis(3-aminopropyl)piperazine): crystal structure, DNA binding and cytotoxic behavior","RSC Advances","2022","12","3","1871","1884","10.1039/D1RA07793G","","","0.7107","MoKα","","0.0624","0.0358","","","0.0675","0.0762","","","","","","1.03","","","","has coordinates","272020","2022-01-13","02:00:02",""
"7244195","11.32","0.003","12.339","0.003","15.403","0.004","90","","109.964","0.014","90","","2022.2","0.9","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N7 O4 -","- C20 H25 N7 O4 -","- C80 H100 N28 O16 -","4","1","","Ganai, Ab Majeed; Pathan, Tabasum Khan; Sayyad, Nisar; Kushwaha, Babita; Kushwaha, Narva Deshwar; Tzakos, Andreas G.; Karpoormath, Rajshekhar","DBU mediated one-pot synthesis of triazolo triazines via Dimroth type rearrangement","RSC Advances","2022","12","4","2102","2106","10.1039/D1RA07749J","","","0.71073","MoKα","","0.0507","0.0384","","","0.0979","0.1064","","","","","","1.031","","","","has coordinates","272021","2022-01-13","02:00:24",""
"7244196","8.2567","0.0005","19.7843","0.0011","8.8668","0.0005","90","","90","","90","","1448.42","0.14","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","SS1-246RF1","1-allyl-3-bromo-2-phenyl-1H-indole","","- C17 H14 Br N -","- C17 H14 Br N -","- C68 H56 Br4 N4 -","4","1","","Smile, Suresh Snoxma; Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","DMSO–allyl bromide: a mild and efficient reagent for atom economic one-pot N-allylation and bromination of 2°-aryl amines, 2-aryl aminoamides, indoles and 7-aza indoles","RSC Advances","2022","12","3","1834","1839","10.1039/D1RA08588C","","","0.71073","MoKα","","0.0587","0.0372","","","0.0825","0.0907","","","","","","1.022","","","","has coordinates","272022","2022-01-13","02:01:00",""
"7244197","10.519","0.003","9.117","0.002","20.975","0.006","90","","90.312","0.007","90","","2011.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","SS1-280R","N-allyl-5-bromo-N-phenyl-2-(p-tolylamino)benzamide","","- C23 H21 Br N2 O -","- C23 H21 Br N2 O -","- C92 H84 Br4 N8 O4 -","4","1","","Smile, Suresh Snoxma; Novanna, Motakatla; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","DMSO–allyl bromide: a mild and efficient reagent for atom economic one-pot N-allylation and bromination of 2°-aryl amines, 2-aryl aminoamides, indoles and 7-aza indoles","RSC Advances","2022","12","3","1834","1839","10.1039/D1RA08588C","","","0.71073","MoKα","","0.1305","0.0526","","","0.089","0.111","","","","","","1.006","","","","has coordinates","272022","2022-01-13","02:01:00",""
"7244222","10.6796","0.0004","14.9649","0.0001","20.9874","0.0004","90","","90","","90","","3354.19","0.14","160","2","160","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl6 N Ni P2 -","- C30 H33 Cl6 N Ni P2 -","- C120 H132 Cl24 N4 Ni4 P8 -","4","1","","Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří","Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes","RSC Advances","2022","12","4","2227","2236","10.1039/D1RA04572E","","","0.71073","MoKα","","0.0232","0.022","","","0.0525","0.0531","","","","","","1.033","","","","has coordinates","272048","2022-01-15","01:47:22",""
"7244223","9.8001","0.0002","13.6022","0.0003","20.547","0.0004","90","","90","","90","","2738.98","0.1","160","2","160","2","","","","","","","","6","P 21 c n","P -2n 2a","33","","","","- C28 H29 Br2 N Ni P2 -","- C28 H29 Br2 N Ni P2 -","- C112 H116 Br8 N4 Ni4 P8 -","4","1","","Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří","Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes","RSC Advances","2022","12","4","2227","2236","10.1039/D1RA04572E","","","0.71073","MoKα","","0.0272","0.0239","","","0.0457","0.0467","","","","","","0.998","","","","has coordinates","272048","2022-01-15","01:47:22",""
"7244224","15.4142","0.0003","10.0508","0.0002","18.3727","0.0003","90","","92.727","0.001","90","","2843.17","0.09","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 I2 N Ni P2 -","- C28 H29 I2 N Ni P2 -","- C112 H116 I8 N4 Ni4 P8 -","4","1","","Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří","Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes","RSC Advances","2022","12","4","2227","2236","10.1039/D1RA04572E","","","0.71073","MoKα","","0.0165","0.0156","","","0.039","0.0394","","","","","","1.121","","","","has coordinates","272048","2022-01-15","01:47:23",""
"7244266","35.1476","0.0007","7.20907","0.00013","16.4888","0.0003","90","","90","","90","","4177.96","0.14","120","0.2","120","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22.5 H25 Cl N5 O0.5 -","- C22.5 H25 Cl N5 O0.5 -","- C180 H200 Cl8 N40 O4 -","8","2","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0431","0.0379","","","0.092","0.0958","","","","","","1.056","","","","has coordinates","272181","2022-01-21","02:14:00",""
"7244267","13.6704","0.0006","17.4161","0.0008","19.5839","0.001","90","","90","","90","","4662.6","0.4","120","0.14","120","0.14","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H26 Cl N5 O6 -","- C23 H26 Cl N5 O6 -","- C184 H208 Cl8 N40 O48 -","8","0.5","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0573","0.0538","","","0.1434","0.1482","","","","","","1.06","","","","has coordinates,has disorder","272181","2022-01-21","02:14:11",""
"7244268","13.6541","0.0005","20.9932","0.001","33.7804","0.0015","90","","90","","90","","9682.9","0.7","120.01","0.19","120.01","0.19","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C46 H50 Cl2 Cu N10 O12 -","- C46 H50 Cl2 Cu N10 O12 -","- C368 H400 Cl16 Cu8 N80 O96 -","8","0.25","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0757","0.0675","","","0.1857","0.1934","","","","","","1.057","","","","has coordinates","272181","2022-01-21","02:14:13",""
"7244269","15.2533","0.0007","12.9873","0.0005","13.5404","0.0005","90","","107.731","0.004","90","","2554.92","0.19","120","0.11","120","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cl F6 N5 O6 -","- C23 H20 Cl F6 N5 O6 -","- C92 H80 Cl4 F24 N20 O24 -","4","1","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0719","0.0584","","","0.1496","0.164","","","","","","1.016","","","","has coordinates,has disorder","272181","2022-01-21","02:14:20",""
"7244270","17.0485","0.0004","21.1841","0.0006","17.4301","0.0005","90","","94.546","0.002","90","","6275.2","0.3","120","0.4","120","0.4","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H42.67 Cl2 Cu N10 O8.33 -","- C42 H42 Cl2 Cu N10 O8.33333 -","- C252 H252 Cl12 Cu6 N60 O50 -","6","3","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0862","0.0615","","","0.1443","0.1593","","","","","","1.037","","","","has coordinates","272181","2022-01-21","02:14:23",""
"7244271","13.17337","0.00016","21.4452","0.0002","18.6491","0.0002","90","","109.148","0.0014","90","","4976.99","0.1","120.01","0.16","120.01","0.16","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H38 Cl2 Cu F12 N10 O12 -","- C46 H38 Cl2 Cu F12 N10 O12 -","- C184 H152 Cl8 Cu4 F48 N40 O48 -","4","0.5","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0493","0.0476","","","0.1135","0.1148","","","","","","1.031","","","","has coordinates,has disorder","272181","2022-01-21","02:14:35",""
"7244272","17.0846","0.0003","21.1938","0.0004","17.4229","0.0003","90","","94.0351","0.0015","90","","6293","0.2","120.1","0.3","120.1","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H42.67 Cl2 N10 O8.33 Zn -","- C42 H42.6667 Cl2 N10 O8.33333 Zn -","- C252 H256 Cl12 N60 O50 Zn6 -","6","3","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","1.54184","CuKα","","0.0472","0.0416","","","0.1024","0.1068","","","","","","1.017","","","","has coordinates,has disorder","272181","2022-01-21","02:14:46",""
"7244273","13.1544","0.0004","21.5464","0.0004","18.6498","0.0006","90","","109.32","0.003","90","","4988.2","0.3","120.1","0.4","120.1","0.4","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H38 Cl2 F12 N10 O12 Zn -","- C46 H38 Cl2 F12 N10 O12 Zn -","- C184 H152 Cl8 F48 N40 O48 Zn4 -","4","1","","Bao, Lihong; Jones, Leighton O.; Garrote Cañas, Ana M.; Yan, Yunhan; Pask, Christopher M.; Hardie, Michaele J.; Mosquera, Martin A.; Schatz, George C.; Sergeeva, Natalia N.","Multipurpose made colorimetric materials for amines, pH change and metal ion detection","RSC Advances","2022","12","5","2684","2692","10.1039/D1RA07811A","","x-ray","0.71073","MoKα","","0.0466","0.0398","","","0.0833","0.0872","","","","","","1.017","","","","has coordinates","272181","2022-01-21","02:14:58",""
"7244274","33.179","0.007","14.251","0.003","15.092","0.003","90","","110.281","0.005","90","","6694","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H42 Br4 Co N2 -","- C24 H42 Br4 Co N2 -","- C192 H336 Br32 Co8 N16 -","8","1","","Khalfa, M.; Oueslati, A.; Khirouni, K.; Gargouri, M.; Rousseau, A.; Lhoste, J.; Bardeau, J.-F.; Corbel, G.","Synthesis, structural and electrical characterization of a new organic inorganic bromide: [(C3H7)4N]2CoBr4","RSC Advances","2022","12","5","2798","2809","10.1039/D1RA07965D","","","0.71073","MoKα","","0.1181","0.0473","","","0.1059","0.133","","","","","","0.997","","","","has coordinates","272182","2022-01-21","02:16:10",""
"7244298","21.1103","0.0013","21.6232","0.0014","8.7121","0.0006","90","","90","","90","","3976.8","0.4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","tetramethyl 1,4(1,4)-dibenzenacyclohexaphane-1^2^,1^5^-diylbis(phosphonate)","","- C20 H26 O6 P2 -","- C20 H26 O6 P2 -","- C160 H208 O48 P16 -","8","0.5","","Oßwald, Simon; Zippel, Christoph; Hassan, Zahid; Nieger, Martin; Bräse, Stefan","C–P bond formation of cyclophanyl-, and aryl halides via a UV-induced photo Arbuzov reaction: a versatile portal to phosphonate-grafted scaffolds","RSC Advances","2022","12","6","3309","3312","10.1039/D2RA00094F","","","1.54178","CuKα","","0.0213","0.0213","","","0.0599","0.0599","","","","","","1.121","","","","has coordinates","272241","2022-01-26","02:09:38",""
"7244306","6.09721","0.0001","7.50731","0.00016","7.6779","0.0002","110.428","0.0013","93.167","0.0013","113.509","0.0014","294.172","0.012","","","","","","","","","","","","3","P -1","-P 1","2","","","","- Ag2 Mo2 O7 -","- Ag2 Mo2 O7 -","- Ag4 Mo4 O14 -","2","1","","Yan, Weixin; Zhu, Dongmei; Wang, Zhaofeng; Xia, Yunhao; Gui, Dong-Yun; Luo, Fa; Wang, Chun-Hai","Ag2Mo2O7: an oxide solid-state Ag+ electrolyte","RSC Advances","2022","12","6","3494","3499","10.1039/D1RA07097E","","","","","","","","","","","","","","","","","","","","","has coordinates","272268","2022-01-27","02:10:16",""
"7244307","8.916","0.0018","22.953","0.005","19.545","0.004","90","","90","","90","","3999.9","1.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H48 N4 O29 P2 -","- C18 H48 N4 O29 P2 -","- C72 H192 N16 O116 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.1342","0.09","","","0.2113","0.2354","","","","","","1.116","","","","has coordinates","272308","2022-01-28","01:56:49",""
"7244308","8.924","0.003","22.99","0.01","19.456","0.008","90","","90","","90","","3992","3","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H28 N4 Na2 O35 P2 -","- C18 H28 N4 Na2 O35 P2 -","- C72 H112 N16 Na8 O140 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.1316","0.1269","","","0.3455","0.3564","","","","","","1.854","","","","has coordinates,has disorder","272308","2022-01-28","01:56:50",""
"7244309","8.917","0.003","22.854","0.009","19.353","0.007","90","","90","","90","","3944","2","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H22 N4 Na3 O36 P2 -","- C18 H22 N4 Na3 O36 P2 -","- C72 H88 N16 Na12 O144 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.121","0.1186","","","0.3427","0.3481","","","","","","1.978","","","","has coordinates,has disorder","272308","2022-01-28","01:56:50",""
"7244310","8.9287","0.0013","22.941","0.003","19.433","0.003","90","","90","","90","","3980.5","1","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H22 N4 Na4 O32 P2 -","- C18 H22 N4 Na4 O32 P2 -","- C72 H88 N16 Na16 O128 P8 -","4","0.5","","Yang, Pengpeng; Dai, Kun; Lin, Chenguang; Jiao, Pengfei; Zou, Fengxia; Zhao, Gulin; Ying, Hanjie","The features of the crystal structure of the layered series hydrates of uridine-5′-monophosphate salts (UMPNax·yH2O)","RSC Advances","2022","12","6","3646","3653","10.1039/D1RA08091A","","","0.71073","MoKα","","0.1098","0.1077","","","0.3096","0.3146","","","","","","1.725","","","","has coordinates,has disorder","272308","2022-01-28","01:56:50",""
"7244316","10.3261","0.0015","6.0071","0.001","4.6943","0.0007","90","","90","","90","","291.19","0.08","298","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","LiFePO4","Nitrided LFP","","- Fe Li0.94 N0.16 O3.84 P -","- Fe Li0.94 N0.16 O3.84 P -","- Fe4 Li3.76 N0.64 O15.36 P4 -","4","0.5","","Mayer, Sergio Federico; de la Calle, Cristina; Fernández-Díaz, María Teresa; Amarilla, José Manuel; Alonso, José Antonio","Nitridation effect on lithium iron phosphate cathode for rechargeable batteries","RSC Advances","2022","12","6","3696","3707","10.1039/D1RA07574H","powder diffraction","","1.594","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.396","0.909","","","","","","","has coordinates","272340","2022-01-29","02:07:11",""
"7244317","8.4306","0.0014","9.2108","0.0016","10.5745","0.0018","76.941","0.006","88.026","0.005","75.718","0.006","775","0.2","164","2","164","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 N O2 S Se Zn -","- C15 H17 N O2 S Se Zn -","- C30 H34 N2 O4 S2 Se2 Zn2 -","2","1","","Upadhyay, Aditya; Saurav, K. V.; Varghese, Evelin Lilly; Hodage, Ananda S.; Paul, Amit; Awasthi, Mahendra Kumar; Singh, Sanjay Kumar; Kumar, Sangit","Proton reduction by a bimetallic zinc selenolate electrocatalyst","RSC Advances","2022","12","7","3801","3808","10.1039/D1RA08614F","","","0.71073","MoKα","","0.1034","0.0477","","","0.1104","0.1405","","","","","","0.882","","","","has coordinates","272351","2022-01-31","01:51:54",""
"7244325","7.6046","0.0012","10.4682","0.0016","12.881","0.002","75.411","0.004","86.794","0.005","79.566","0.005","975.9","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cd N8 O12 -","- C32 H32 Cd N8 O12 -","- C32 H32 Cd N8 O12 -","1","0.5","","Mouli, M. S. S. Vinod; Mishra, Ashutosh Kumar","Modulating catalytic activity of a modified flavin analogue via judicially positioned metal ion toward aerobic sulphoxidation","RSC Advances","2022","12","7","3990","3995","10.1039/D1RA06558K","","","0.71073","MoKα","","0.1148","0.0604","","","0.1321","0.1513","","","","","","0.978","","","","has coordinates","272408","2022-02-02","02:08:09",""
"7244326","18.6318","0.0008","11.4451","0.0005","19.7386","0.0008","90","","106.504","0.001","90","","4035.7","0.3","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 N2 O8 Tb -","- C15 H17 N2 O8 Tb -","- C120 H136 N16 O64 Tb8 -","8","1","","Yang, Xiaozhan; Liang, Yicun; Feng, Wenlin; Yang, Chaolong; Wang, Lian; Huang, Guojia; Wang, Daoyuan","Hollow terbium metal–organic-framework spheres: preparation and their performance in Fe3+ detection","RSC Advances","2022","12","7","4153","4161","10.1039/D1RA08088A","","","1.34139","GaKα","","0.0437","0.0395","","","0.1074","0.1101","","","","","","1.076","","","","has coordinates","272409","2022-02-02","02:08:29",""
"7244327","7.7807","0.0003","13.9973","0.0007","15.18","0.0008","90","","90","","90","","1653.24","0.14","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Br N O4 -","- C16 H20 Br N O4 -","- C64 H80 Br4 N4 O16 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0646","0.0356","","","0.078","0.087","","","","","","0.987","","","","has coordinates","272442","2022-02-03","02:07:45",""
"7244328","5.467","0.0002","27.8275","0.0012","32.842","0.002","90","","90","","90","","4996.4","0.4","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C204 H252 N12 O36 S12 -","12","3","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1652","0.043","","","0.0699","0.0874","","","","","","0.647","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244329","6.0976","0.0004","9.5728","0.0008","12.3463","0.001","99.389","0.007","90.433","0.006","89.796","0.007","710.99","0.1","243","1","243","1","","","","","","","","5","P 1","P 1","1","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C30 H34 N2 O6 S2 -","2","2","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1036","0.0532","","","0.1105","0.1234","","","","","","0.901","","","","has coordinates,has disorder","272442","2022-02-03","02:07:46",""
"7244330","5.4649","0.0001","10.7205","0.0004","26.0834","0.0007","90","","90","","90","","1528.13","0.08","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0342","0.0312","","","0.0849","0.087","","","","","","1.079","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244331","11.5839","0.0015","6.982","0.0005","16.333","0.002","90","","102.429","0.01","90","","1290","0.3","295","1","295","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","2","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1941","0.0507","","","0.0954","0.1198","","","","","","0.713","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244332","8.2312","0.0005","9.114","0.0009","13.9693","0.001","90","","90","","90","","1047.97","0.14","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Cl N O4 -","- C7 H16 Cl N O4 -","- C28 H64 Cl4 N4 O16 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0424","0.0271","","","0.0501","0.0531","","","","","","0.877","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244333","7.0341","0.0008","14.022","0.002","14.321","0.002","90","","90","","90","","1412.5","0.3","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1343","0.0372","","","0.0593","0.0736","","","","","","0.681","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244334","7.481","0.0004","10.464","0.0009","15.998","0.001","90","","90","","90","","1252.34","0.15","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0709","0.0379","","","0.0762","0.0832","","","","","","0.813","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244335","15.5979","0.0006","10.9206","0.0004","18.8109","0.0006","90","","100.611","0.003","90","","3149.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H48 Al N4 P -","- C31 H48 Al N4 P -","- C124 H192 Al4 N16 P4 -","4","1","","Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli","Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides","RSC Advances","2022","12","8","4501","4509","10.1039/D2RA00242F","","","0.71073","MoKα","","0.0583","0.0432","","","0.1191","0.1273","","","","","","1.055","","","","has coordinates","272543","2022-02-04","02:15:03",""
"7244336","10.4218","0.0005","14.9253","0.0007","20.5378","0.0009","90","","100.693","0.005","90","","3139.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7.75 H11.75 N P0.25 -","- C7.75 H11.75 N P0.25 -","- C124 H188 N16 P4 -","16","4","","Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli","Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides","RSC Advances","2022","12","8","4501","4509","10.1039/D2RA00242F","","x-ray","0.71073","MoKα","","0.1174","0.0899","","","0.2664","0.2856","","","","","","1.045","","","","has coordinates","272543","2022-02-04","02:15:04",""
"7244337","9.4611","0.0002","12.4141","0.0003","16.7883","0.0004","101.57","0.002","100.081","0.002","111.127","0.002","1734.64","0.08","249.99","0.1","249.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C39 H49 N4 P -","- C39 H47 N4 P -","- C78 H94 N8 P2 -","2","1","","Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli","Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides","RSC Advances","2022","12","8","4501","4509","10.1039/D2RA00242F","","x-ray","0.71073","MoKα","","0.0571","0.0461","","","0.1275","0.1344","","","","","","1.084","","","","has coordinates","272543","2022-02-04","02:15:04",""
"7244338","13.5229","0.0005","18.5921","0.0008","18.0626","0.0008","90","","100.669","0.004","90","","4462.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H64 Al N4 P -","- C47 H64 Al N4 P -","- C188 H256 Al4 N16 P4 -","4","1","","Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli","Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides","RSC Advances","2022","12","8","4501","4509","10.1039/D2RA00242F","","","0.71073","MoKα","","0.0899","0.0661","","","0.1954","0.2079","","","","","","1.355","","","","has coordinates","272543","2022-02-04","02:15:04",""
"7244339","10.235","0.0002","19.87","0.0003","20.5541","0.0004","99.08","0.002","91.255","0.002","100.416","0.002","4054.2","0.13","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C85 H107 Al2 N8 P2 -","- C85 H107 Al2 N8 P2 -","- C170 H214 Al4 N16 P4 -","2","1","","Karmakar, Himadri; Anga, Srinivas; Panda, Tarun K.; Chandrasekhar, Vadapalli","Aluminium alkyl complexes supported by imino-phosphanamide ligand as precursors for catalytic guanylation reactions of carbodiimides","RSC Advances","2022","12","8","4501","4509","10.1039/D2RA00242F","","x-ray","0.71073","MoKα","","0.0579","0.0424","","","0.115","0.1224","","","","","","1.05","","","","has coordinates","272543","2022-02-04","02:15:04",""
"7244340","8.4459","0.0004","24.339","0.0011","24.7639","0.0011","90","","95.441","0.001","90","","5067.6","0.4","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 Cu Mo8 N10 O29 -","- C36 H34 Cu Mo8 N10 O29 -","- C144 H136 Cu4 Mo32 N40 O116 -","4","0.5","","Wang, Xiang; Lin, Jiafeng; Li, Huan; Wang, Chenying; Wang, Xiuli","Carbazole-based bis-imidazole ligand-involved synthesis of inorganic–organic hybrid polyoxometalates as electrochemical sensors for detecting bromate and efficient catalysts for selective oxidation of thioether","RSC Advances","2022","12","8","4437","4445","10.1039/D1RA08861K","","","0.71073","MoKα","","0.062","0.0352","","","0.0695","0.0782","","","","","","1.013","","","","has coordinates","272544","2022-02-04","02:16:14",""
"7244341","12.1311","0.0014","19.995","0.002","14.539","0.0016","90","","93.938","0.002","90","","3518.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Mo2 N10 Ni O7 -","- C36 H26 Mo2 N10 Ni O7 -","- C144 H104 Mo8 N40 Ni4 O28 -","4","1","","Wang, Xiang; Lin, Jiafeng; Li, Huan; Wang, Chenying; Wang, Xiuli","Carbazole-based bis-imidazole ligand-involved synthesis of inorganic–organic hybrid polyoxometalates as electrochemical sensors for detecting bromate and efficient catalysts for selective oxidation of thioether","RSC Advances","2022","12","8","4437","4445","10.1039/D1RA08861K","","","0.71073","MoKα","","0.0815","0.049","","","0.1303","0.1552","","","","","","0.918","","","","has coordinates","272544","2022-02-04","02:16:15",""
"7244342","7.8269","0.0004","10.4537","0.0005","17.1966","0.0008","95.109","0.001","91.567","0.001","97.266","0.001","1389.12","0.12","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H44 Cr Mo6 N10 Ni2 O34 -","- C36 H44 Cr Mo6 N10 Ni2 O34 -","- C36 H44 Cr Mo6 N10 Ni2 O34 -","1","0.5","","Wang, Xiang; Lin, Jiafeng; Li, Huan; Wang, Chenying; Wang, Xiuli","Carbazole-based bis-imidazole ligand-involved synthesis of inorganic–organic hybrid polyoxometalates as electrochemical sensors for detecting bromate and efficient catalysts for selective oxidation of thioether","RSC Advances","2022","12","8","4437","4445","10.1039/D1RA08861K","","","0.71073","MoKα","","0.0517","0.0376","","","0.087","0.0939","","","","","","1.004","","","","has coordinates,has disorder","272544","2022-02-04","02:16:15",""
"7244343","11.2965","0.0008","23.8196","0.0017","12.6524","0.0008","90","","98.894","0.003","90","","3363.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cl4 Ni O2 P3 -","- C33 H31 Cl4 Ni O2 P3 -","- C132 H124 Cl16 Ni4 O8 P12 -","4","1","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.149","0.0598","","","0.0967","0.127","","","","","","1.041","","","","has coordinates","272545","2022-02-04","02:17:48",""
"7244344","10.6099","0.001","22.192","0.002","20.122","0.002","90","","91.369","0.003","90","","4736.5","0.8","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Cl2 F12 N2 Ni O2 P5 -","- C41 H45 Cl2 F12 N2 Ni O2 P5 -","- C164 H180 Cl8 F48 N8 Ni4 O8 P20 -","4","1","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.0498","0.0382","","","0.0928","0.0995","","","","","","1.03","","","","has coordinates","272545","2022-02-04","02:17:48",""
"7244345","10.486","0.0007","13.2706","0.0009","29.888","0.002","90","","91.166","0.003","90","","4158.2","0.5","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Cl F6 N Ni O2 P4 -","- C41 H38 Cl F6 N Ni O2 P4 -","- C164 H152 Cl4 F24 N4 Ni4 O8 P16 -","4","1","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.1139","0.054","","","0.1319","0.1781","","","","","","1.068","","","","has coordinates","272545","2022-02-04","02:17:48",""
"7244346","11.235","0.002","22.991","0.004","20.206","0.004","90","","97.139","0.006","90","","5178.8","1.6","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H49 Cl2 F12 N2 Ni O2 P5 -","- C43 H49 Cl2 F12 N2 Ni O2 P5 -","- C172 H196 Cl8 F48 N8 Ni4 O8 P20 -","4","1","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.0943","0.0658","","","0.1895","0.2038","","","","","","1.074","","","","has coordinates,has disorder","272545","2022-02-04","02:17:48",""
"7244347","12.0853","0.0007","12.7608","0.0008","12.9324","0.0007","106.472","0.003","94.713","0.003","115.252","0.002","1681.69","0.18","297","2","297","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H29 Cl F6 Ni O2 P4 -","- C32 H29 Cl F6 Ni O2 P4 -","- C64 H58 Cl2 F12 Ni2 O4 P8 -","2","1","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.061","0.038","","","0.0947","0.1034","","","","","","1.044","","","","has coordinates","272545","2022-02-04","02:17:49",""
"7244348","16.0943","0.0009","16.0943","0.0009","16.0943","0.0009","90","","90","","90","","4168.9","0.4","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C39 H36 Cl F6 Ni O3 P5 -","- C39 H36 Cl F6 Ni O3 P5 -","- C156 H144 Cl4 F24 Ni4 O12 P20 -","4","0.333333","","Panigrahi, Dipankar; Mondal, Munmun; Gupta, Rohit; Mani, Ganesan","Four- and five-coordinate nickel(ii) complexes bearing new diphosphine–phosphonite and triphosphine–phosphite ligands: catalysts for N-alkylation of amines","RSC Advances","2022","12","8","4510","4520","10.1039/D1RA08961G","","","0.71073","MoKα","","0.0924","0.063","","","0.1675","0.1973","","","","","","1.059","","","","has coordinates","272545","2022-02-04","02:17:49",""
"7244372","7.7796","0.0005","13.1314","0.0011","24.231","0.002","90","","90","","90","","2475.4","0.3","150","2","150.04","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 B N2 O3.5 -","- C29 H26 B N2 O3.5 -","- C116 H104 B4 N8 O14 -","4","1","","Zhang, Xuebo; Xu, Jing; Sun, Zhaofeng; Bian, Guangling; Song, Ling","NMR analysis of the enantiomeric purity of chiral diols by a new chiral boron agent","RSC Advances","2022","12","8","4692","4696","10.1039/D2RA00428C","","","0.71073","MoKα","","0.0499","0.0451","","","0.1076","0.1108","","","","","","1.081","","","","has coordinates","272865","2022-02-09","02:07:43",""
"7244378","15.3547","0.0005","15.3547","0.0005","10.0767","0.0005","90","","90","","120","","2057.46","0.14","296.15","","296.15","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9 H12 F9 O P -","- C9 H12 F9 O P -","- C54 H72 F54 O6 P6 -","6","0.333333","","Lin, Liting; Li, Xiaoqian; Qian, Kun; Cheng, Lin; Zhong, Youquan; Xu, Hua","PO(CH2CH2CF3)3: an organic ultraviolet nonlinear optical material without any anionic group","RSC Advances","2022","12","8","4955","4960","10.1039/D1RA08768A","","","0.71073","MoKα","","0.0408","0.0378","","","0.107","0.1095","","","","","","1.0258","","","","has coordinates","272897","2022-02-10","02:14:32",""
"7244379","15.5366","0.0007","15.5366","0.0007","10.1335","0.0007","90","","90","","120","","2118.4","0.2","363.15","","363.15","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C9 H12 F9 O P -","- C9 H12 F9 O P -","- C54 H72 F54 O6 P6 -","6","0.333333","","Lin, Liting; Li, Xiaoqian; Qian, Kun; Cheng, Lin; Zhong, Youquan; Xu, Hua","PO(CH2CH2CF3)3: an organic ultraviolet nonlinear optical material without any anionic group","RSC Advances","2022","12","8","4955","4960","10.1039/D1RA08768A","","x-ray","0.71073","MoKα","","0.0666","0.0579","","","0.1613","0.1707","","","","","","1.0036","","","","has coordinates","272897","2022-02-10","02:14:32",""
"7244380","7.663","0.002","10.481","0.003","10.845","0.003","95.43","0.03","93.93","0.03","104.74","0.04","834.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H14 Br N3 O5 W -","- C15 H14 Br N3 O5 W -","- C30 H28 Br2 N6 O10 W2 -","2","1","","Heydari, Neda; Bikas, Rahman; Shaterian, Maryam; Lis, Tadeusz","Green solvent free epoxidation of olefins by a heterogenised hydrazone-dioxidotungsten(vi) coordination compound","RSC Advances","2022","12","8","4813","4827","10.1039/D1RA09217K","","","0.71073","MoKα","","0.0455","0.0439","","","0.1216","0.1242","","","","","","1.089","","","","has coordinates","272898","2022-02-10","02:14:58",""
"7244384","10.2212","0.0008","11.0914","0.001","22.1617","0.0019","91.217","0.007","91.74","0.006","116.345","0.006","2248.7","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Co3 Dy N3 O27 -","- C41 H40 Co3 Dy N3 O27 -","- C82 H80 Co6 Dy2 N6 O54 -","2","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Lanthanide induced variability in localised CoII geometries of four triangular L3Co3IILnIII complexes","RSC Advances","2022","12","8","4828","4835","10.1039/D1RA08797E","","","1.54178","CuKα","","0.1414","0.0873","","","0.2074","0.2413","","","","","","1.043","","","","has coordinates","272914","2022-02-11","02:12:21",""
"7244385","10.1882","0.0012","10.2651","0.0013","23.231","0.003","86.37","0.008","84.284","0.008","65.297","0.008","2195.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Co3 Gd N3 O25 -","- C40 H34 Co3 Gd N3 O25 -","- C80 H68 Co6 Gd2 N6 O50 -","2","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Lanthanide induced variability in localised CoII geometries of four triangular L3Co3IILnIII complexes","RSC Advances","2022","12","8","4828","4835","10.1039/D1RA08797E","","","1.54178","CuKα","","0.0936","0.059","","","0.1432","0.1602","","","","","","1.134","","","","has coordinates","272914","2022-02-11","02:12:32",""
"7244386","14.0045","0.0005","15.7554","0.0005","41.1854","0.0016","90","","96.063","0.002","90","","9036.6","0.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H36 Cl Co3 N2 O23.5 Tb -","- C39.5 H33 Cl Co3 N2 O22 Tb -","- C316 H264 Cl8 Co24 N16 O176 Tb8 -","8","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Lanthanide induced variability in localised CoII geometries of four triangular L3Co3IILnIII complexes","RSC Advances","2022","12","8","4828","4835","10.1039/D1RA08797E","","","1.54178","CuKα","","0.0924","0.0546","","","0.1292","0.1479","","","","","","1.029","","","","has coordinates,has disorder","272914","2022-02-11","02:12:35",""
"7244387","10.2888","0.0008","15.4555","0.0013","16.0338","0.0014","93.324","0.007","108.261","0.008","90.444","0.006","2416.3","0.4","102","","102","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H47 Co3 La N3 O29.5 -","- C36 H32 Co3 La N3 O28 -","- C72 H64 Co6 La2 N6 O56 -","2","1","","Dais, Tyson N.; Takano, Rina; Ishida, Takayuki; Plieger, Paul G.","Lanthanide induced variability in localised CoII geometries of four triangular L3Co3IILnIII complexes","RSC Advances","2022","12","8","4828","4835","10.1039/D1RA08797E","","","1.54178","CuKα","","0.1199","0.0804","","","0.2016","0.2236","","","","","","1.036","","","","has coordinates,has disorder","272914","2022-02-11","02:12:47",""
"7244388","8.4778","0.0002","13.3551","0.0002","13.9955","0.0003","107.983","0.002","95.125","0.002","96.949","0.001","1482.59","0.06","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C34 H20 Br0.8 Cl0.2 N4 O7 Re -","- C34 H20 Br0.796 Cl0.204 N4 O7 Re -","- C68 H40 Br1.592 Cl0.408 N8 O14 Re2 -","2","1","","Spear, Alyssa; Schuarca, Robson L.; Bond, Jesse Q.; Korter, Timothy M.; Zubieta, Jon; Doyle, Robert P.","Photocatalytic turnover of CO2 under visible light by [Re(CO)3(1-(1,10) phenanthroline-5-(4-nitro-naphthalimide))Cl] in tandem with the sacrificial donor BIH","RSC Advances","2022","12","9","5080","5084","10.1039/D1RA08261B","","x-ray","1.54184","CuKα","","0.0507","0.0488","","","0.1235","0.1249","","","","","","1.118","","","","has coordinates,has disorder","272915","2022-02-11","02:13:49",""
"7244389","8.3911","0.0004","9.9264","0.0004","10.7162","0.0005","63.792","0.001","74.028","0.001","73.325","0.001","755.62","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 N4 O12 Zn2 -","- C30 H24 N4 O12 Zn2 -","- C30 H24 N4 O12 Zn2 -","1","0.5","","Lutsenko, Irina A.; Baravikov, Dmitry E.; Koshenskova, Kseniya A.; Kiskin, Mikhail A.; Nelyubina, Yulia V.; Primakov, Petr V.; Voronina, Yulia K.; Garaeva, Veronika V.; Aleshin, Dmytry A.; Aliev, Teimur M.; Danilenko, Valery N.; Bekker, Olga B.; Eremenko, Igor L.","What are the prospects for using complexes of copper(ii) and zinc(ii) to suppress the vital activity of Mycolicibacterium smegmatis?","RSC Advances","2022","12","9","5173","5183","10.1039/D1RA08555G","","","0.71073","MoKα","","0.0349","0.0288","","","0.0697","0.0728","","","","","","1.035","","","","has coordinates,has disorder","272916","2022-02-11","02:15:58",""
"7244390","13.5158","0.0007","12.8924","0.0006","13.8937","0.0007","90","","91.106","0.001","90","","2420.5","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 O12 Zn2 -","- C20 H12 O12 Zn2 -","- C80 H48 O48 Zn8 -","4","1","","Lutsenko, Irina A.; Baravikov, Dmitry E.; Koshenskova, Kseniya A.; Kiskin, Mikhail A.; Nelyubina, Yulia V.; Primakov, Petr V.; Voronina, Yulia K.; Garaeva, Veronika V.; Aleshin, Dmytry A.; Aliev, Teimur M.; Danilenko, Valery N.; Bekker, Olga B.; Eremenko, Igor L.","What are the prospects for using complexes of copper(ii) and zinc(ii) to suppress the vital activity of Mycolicibacterium smegmatis?","RSC Advances","2022","12","9","5173","5183","10.1039/D1RA08555G","","","0.71073","MoKα","","0.0438","0.0326","","","0.0833","0.0909","","","","","","1.044","","","","has coordinates,has disorder","272916","2022-02-11","02:15:59",""
"7244391","9.622","0.003","10.595","0.003","11.815","0.003","78.455","0.005","76.399","0.005","65.951","0.005","1061.7","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N2 O6 Zn -","- C24 H18 N2 O6 Zn -","- C48 H36 N4 O12 Zn2 -","2","1","","Lutsenko, Irina A.; Baravikov, Dmitry E.; Koshenskova, Kseniya A.; Kiskin, Mikhail A.; Nelyubina, Yulia V.; Primakov, Petr V.; Voronina, Yulia K.; Garaeva, Veronika V.; Aleshin, Dmytry A.; Aliev, Teimur M.; Danilenko, Valery N.; Bekker, Olga B.; Eremenko, Igor L.","What are the prospects for using complexes of copper(ii) and zinc(ii) to suppress the vital activity of Mycolicibacterium smegmatis?","RSC Advances","2022","12","9","5173","5183","10.1039/D1RA08555G","","","0.71073","MoKα","","0.0511","0.0365","","","0.0823","0.0881","","","","","","1.0036","","","","has coordinates","272916","2022-02-11","02:15:59",""
"7244392","14.561","0.004","9.318","0.002","25.811","0.006","90","","99.571","0.015","90","","3453.3","1.5","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O4 Zn -","- C18 H18 N2 O4 Zn -","- C144 H144 N16 O32 Zn8 -","8","1","","Lutsenko, Irina A.; Baravikov, Dmitry E.; Koshenskova, Kseniya A.; Kiskin, Mikhail A.; Nelyubina, Yulia V.; Primakov, Petr V.; Voronina, Yulia K.; Garaeva, Veronika V.; Aleshin, Dmytry A.; Aliev, Teimur M.; Danilenko, Valery N.; Bekker, Olga B.; Eremenko, Igor L.","What are the prospects for using complexes of copper(ii) and zinc(ii) to suppress the vital activity of Mycolicibacterium smegmatis?","RSC Advances","2022","12","9","5173","5183","10.1039/D1RA08555G","","","0.71073","MoKα","","0.0618","0.0467","","","0.1119","0.1199","","","","","","1.0458","","","","has coordinates,has disorder","272916","2022-02-11","02:15:59",""
"7244393","10.7554","0.0003","11.1284","0.0003","12.4298","0.0003","98.575","0.002","107.587","0.002","105.477","0.002","1323.34","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Cu N2 O10 -","- C29 H24 Cu N2 O10 -","- C58 H48 Cu2 N4 O20 -","2","1","","Lutsenko, Irina A.; Baravikov, Dmitry E.; Koshenskova, Kseniya A.; Kiskin, Mikhail A.; Nelyubina, Yulia V.; Primakov, Petr V.; Voronina, Yulia K.; Garaeva, Veronika V.; Aleshin, Dmytry A.; Aliev, Teimur M.; Danilenko, Valery N.; Bekker, Olga B.; Eremenko, Igor L.","What are the prospects for using complexes of copper(ii) and zinc(ii) to suppress the vital activity of Mycolicibacterium smegmatis?","RSC Advances","2022","12","9","5173","5183","10.1039/D1RA08555G","","","0.71073","MoKα","","0.0903","0.0587","","","0.1177","0.1336","","","","","","1.0591","","","","has coordinates,has disorder","272916","2022-02-11","02:15:59",""
"7244415","13.7075","0.0008","21.2787","0.0013","9.1536","0.0006","90","","95.127","0.001","90","","2659.2","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","dichloridobis(<i>N</i>-(2-aminophenyl)-2-(5-methyl-1<i>H</i>-pyrazol-3-yl)acetamide)cadmium(II)","","- C24 H28 Cd Cl2 N8 O2 -","- C24 H28 Cd Cl2 N8 O2 -","- C96 H112 Cd4 Cl8 N32 O8 -","4","1","","Chkirate, Karim; Karrouchi, Khalid; Chakchak, Hind; Mague, Joel T.; Radi, Smaail; Adarsh, N. N.; Li, Weiyang; Talbaoui, Ahmed; Essassi, El Mokhtar; Garcia, Yann","Coordination complexes constructed from pyrazole–acetamide and pyrazole–quinoxaline: effect of hydrogen bonding on the self-assembly process and antibacterial activity","RSC Advances","2022","12","9","5324","5339","10.1039/D1RA09027E","","","0.71073","MoKα","","0.0246","0.0228","","","0.0525","0.0529","","","","","","1.029","","","","has coordinates","272959","2022-02-15","02:14:21",""
"7244416","8.392","0.003","11.42","0.004","15.823","0.006","78.679","0.004","86.124","0.004","80.487","0.004","1465.5","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(3-(5-methyl-1 <i>H</i>-pyrazol-3-yl)quinoxalin- 2(1<i>H</i>)-one)iron(II) nitrate dihydrate","","- C24 H28 Fe N10 O12 -","- C24 H28 Fe N10 O12 -","- C48 H56 Fe2 N20 O24 -","2","1","","Chkirate, Karim; Karrouchi, Khalid; Chakchak, Hind; Mague, Joel T.; Radi, Smaail; Adarsh, N. N.; Li, Weiyang; Talbaoui, Ahmed; Essassi, El Mokhtar; Garcia, Yann","Coordination complexes constructed from pyrazole–acetamide and pyrazole–quinoxaline: effect of hydrogen bonding on the self-assembly process and antibacterial activity","RSC Advances","2022","12","9","5324","5339","10.1039/D1RA09027E","","","0.71073","MoKα","","0.1193","0.0687","","","0.1861","0.2151","","","","","","0.997","","","","has coordinates,has disorder","272959","2022-02-15","02:15:06",""
"7244417","9.0258","0.0005","10.0091","0.0006","11.2402","0.0006","74.769","0.001","66.668","0.001","80.782","0.001","897.84","0.09","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","bis(ethanol)bis(N-(2-aminophenyl)-2-(5-methyl-1<i>H</i>-pyrazol- 3-yl)acetamide)copper(II) nitrate","","- C28 H40 Cu N10 O10 -","- C28 H40 Cu N10 O10 -","- C28 H40 Cu N10 O10 -","1","0.5","","Chkirate, Karim; Karrouchi, Khalid; Chakchak, Hind; Mague, Joel T.; Radi, Smaail; Adarsh, N. N.; Li, Weiyang; Talbaoui, Ahmed; Essassi, El Mokhtar; Garcia, Yann","Coordination complexes constructed from pyrazole–acetamide and pyrazole–quinoxaline: effect of hydrogen bonding on the self-assembly process and antibacterial activity","RSC Advances","2022","12","9","5324","5339","10.1039/D1RA09027E","","","0.71073","MoKα","","0.0592","0.0447","","","0.123","0.1294","","","","","","1.035","","","","has coordinates,has disorder","272959","2022-02-15","02:15:24",""
"7244431","11.1185","0.0002","21.3172","0.0004","12.1038","0.0002","90","","90.513","0.001","90","","2868.67","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H44 Cl2 N4 O13 S -","- C18 H44 Cl2 N4 O13 S -","- C72 H176 Cl8 N16 O52 S4 -","4","1","","Chen, Catherine; Sommer, Charlotte; Thisgaard, Helge; McKee, Vickie; McKenzie, Christine J.","Facile transmetallation of [SbIII(DOTA)]− renders it unsuitable for medical applications","RSC Advances","2022","12","10","5772","5781","10.1039/D2RA00642A","","x-ray","1.54184","CuKα","","0.059","0.0447","","","0.1258","0.131","","","","","","0.997","","","","has coordinates,has disorder","273001","2022-02-17","02:19:42",""
"7244432","17.0714","0.0002","6.5183","0.0001","19.804","0.0002","90","","101.613","0.001","90","","2158.61","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C32 H64 N8 Na2 O24 Sb2 -","- C32 H64 N8 Na2 O24 Sb2 -","- C64 H128 N16 Na4 O48 Sb4 -","2","0.5","","Chen, Catherine; Sommer, Charlotte; Thisgaard, Helge; McKee, Vickie; McKenzie, Christine J.","Facile transmetallation of [SbIII(DOTA)]− renders it unsuitable for medical applications","RSC Advances","2022","12","10","5772","5781","10.1039/D2RA00642A","","x-ray","0.71073","MoKα","","0.0222","0.0192","","","0.0496","0.051","","","","","","1.116","","","","has coordinates","273001","2022-02-17","02:19:42",""
"7244433","17.1003","0.0002","6.5597","0.0001","19.8702","0.0003","90","","101.62","0.001","90","","2183.22","0.05","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C32 H64 Bi2 N8 Na2 O24 -","- C32 H64 Bi2 N8 Na2 O24 -","- C64 H128 Bi4 N16 Na4 O48 -","2","0.5","","Chen, Catherine; Sommer, Charlotte; Thisgaard, Helge; McKee, Vickie; McKenzie, Christine J.","Facile transmetallation of [SbIII(DOTA)]− renders it unsuitable for medical applications","RSC Advances","2022","12","10","5772","5781","10.1039/D2RA00642A","","x-ray","0.71073","MoKα","","0.0169","0.0139","","","0.0272","0.028","","","","","","1.065","","","","has coordinates","273001","2022-02-17","02:19:43",""
"7244434","12.1325","0.0001","12.1325","0.0001","6.5653","0.0001","90","","90","","90","","966.396","0.019","100","0.1","100","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C16 H29 Bi N4 O10 -","- C16 H29 Bi N4 O10 -","- C32 H58 Bi2 N8 O20 -","2","0.25","","Chen, Catherine; Sommer, Charlotte; Thisgaard, Helge; McKee, Vickie; McKenzie, Christine J.","Facile transmetallation of [SbIII(DOTA)]− renders it unsuitable for medical applications","RSC Advances","2022","12","10","5772","5781","10.1039/D2RA00642A","","x-ray","0.71073","MoKα","","0.0116","0.0109","","","0.0233","0.0235","","","","","","1.116","","","","has coordinates,has disorder","273001","2022-02-17","02:19:43",""
"7244454","32.9136","0.0015","32.9136","0.0015","9.2886","0.0005","90","","90","","120","","8714.3","0.7","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C44 H30 N6 Zn -","- C44 H30 N6 Zn -","- C396 H270 N54 Zn9 -","9","0.5","","Kim, Hyun-Chul; Yoon, Jongho; Yoon, Sukbin; Kim, Youngmee; Lee, Suk Joong; Huh, Seong","N-doped porous carbons derived from Zn-porphyrin-MOF","RSC Advances","2022","12","10","5979","5989","10.1039/D2RA00327A","","","1.54178","CuKα","","0.0489","0.0343","","","0.0759","0.082","","","","","","1.039","","","","has coordinates","273040","2022-02-19","02:15:01",""
"7244462","8.65259","0.00019","9.7551","0.0002","10.0315","0.0003","82.229","0.002","85.282","0.002","79.1919","0.0019","822.66","0.04","297","0.1","297","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 Br N2 O -","- C8 H5 Br N2 O -","- C32 H20 Br4 N8 O4 -","4","2","","Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara","Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles","RSC Advances","2022","12","10","6133","6148","10.1039/D2RA00049K","","x-ray","1.54184","CuKα","","0.0333","0.0301","","","0.0786","0.0807","","","","","","1.071","","","","has coordinates","273077","2022-02-22","02:10:17",""
"7244463","3.9979","0.0002","15.5449","0.0011","15.9729","0.0008","90","","90.509","0.004","90","","992.63","0.1","297","0.1","297","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C40 H32 N8 O8 S4 -","4","1","","Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara","Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles","RSC Advances","2022","12","10","6133","6148","10.1039/D2RA00049K","","x-ray","1.54184","CuKα","","0.0607","0.0477","","","0.1276","0.1349","","","","","","1.063","","","","has coordinates","273077","2022-02-22","02:10:18",""
"7244464","13.7218","0.0016","18.26","0.002","3.958","0.0007","90","","90","","90","","991.7","0.2","297","0.1","297","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C40 H32 N8 O8 S4 -","4","1","","Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara","Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles","RSC Advances","2022","12","10","6133","6148","10.1039/D2RA00049K","","x-ray","1.54184","CuKα","","0.0894","0.0704","","","0.1981","0.2219","","","","","","1.122","","","","has coordinates","273077","2022-02-22","02:10:18",""
"7244465","7.0053","0.0003","8.4517","0.0003","11.6853","0.0006","86.836","0.003","77.121","0.004","71.464","0.004","639.36","0.05","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N2 O S -","- C15 H10 N2 O S -","- C30 H20 N4 O2 S2 -","2","1","","Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara","Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles","RSC Advances","2022","12","10","6133","6148","10.1039/D2RA00049K","","x-ray","1.54184","CuKα","","0.0417","0.0389","","","0.1062","0.1089","","","","","","1.062","","","","has coordinates","273077","2022-02-22","02:10:18",""
"7244466","14.7562","0.0004","4.7321","0.0001","16.9571","0.0004","90","","101.469","0.002","90","","1160.43","0.05","297","0.1","297","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 I N2 O3 -","- C10 H9 I N2 O3 -","- C40 H36 I4 N8 O12 -","4","1","","Moussa, Ziad; Judeh, Zaher M. A.; Alzamly, Ahmed; Ahmed, Saleh A.; Tomah Al-Masri, Harbi; Al-Hindawi, Bassam; Rasool, Faisal; Saada, Sara","Iodine-DMSO mediated conversion of N-arylcyanothioformamides to N-arylcyanoformamides and the unexpected formation of 2-cyanobenzothiazoles","RSC Advances","2022","12","10","6133","6148","10.1039/D2RA00049K","","x-ray","1.54184","CuKα","","0.0316","0.0288","","","0.0742","0.0761","","","","","","1.051","","","","has coordinates","273077","2022-02-22","02:10:19",""
"7244467","20.0082","0.0004","9.9146","0.0002","11.4233","0.0002","90","","98.317","0.002","90","","2242.25","0.08","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10.33 N2 O5.17 -","- C11 H10.3333 N2 O5.16665 -","- C88 H82.6664 N16 O41.3332 -","8","1","","Al-Majid, Abdullah Mohammed; Alammari, Abdullah Saleh; Alshahrani, Saeed; Haukka, Matti; Islam, Mohammad Shahidul; Barakat, Assem","Cu(ii)-thiophene-2,5-bis(amino-alcohol) mediated asymmetric Aldol reaction and Domino Knoevenagel Michael cyclization: a new highly efficient Lewis acid catalyst","RSC Advances","2022","12","10","6149","6165","10.1039/D2RA00674J","","","1.54184","CuKα","","0.0431","0.0398","","","0.1038","0.1077","","","","","","1.047","","","","has coordinates","273078","2022-02-22","02:11:07",""
"7244485","14.473","0.003","14.587","0.003","15.394","0.003","66.398","0.003","80.934","0.003","62.894","0.002","2649.8","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H74 O9 -","- C58 H74 O9 -","- C116 H148 O18 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1216","0.0644","","","0.1564","0.1864","","","","","","1.015","","","","has coordinates","273141","2022-02-24","02:12:22",""
"7244486","14.545","0.013","14.729","0.013","15.409","0.013","66.675","0.011","81.233","0.012","62.481","0.011","2686","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H73 F O9 -","- C58 H73 F O9 -","- C116 H146 F2 O18 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.118","0.0602","","","0.1595","0.1967","","","","","","1.011","","","","has coordinates,has disorder","273141","2022-02-24","02:12:27",""
"7244487","14.634","0.01","14.681","0.01","15.413","0.011","66.757","0.009","81.05","0.01","62.72","0.01","2703","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C59 H76 O9 -","- C59 H76 O9 -","- C118 H152 O18 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1217","0.0658","","","0.1924","0.2351","","","","","","0.997","","","","has coordinates","273141","2022-02-24","02:12:30",""
"7244488","14.494","0.0002","14.71417","0.00018","15.1622","0.0002","66.8505","0.0012","81.2416","0.0011","63.0184","0.0013","2648.26","0.07","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C59 H76 O9 -","- C59 H76 O9 -","- C118 H152 O18 -","2","2","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","1.54184","CuKα","","0.0411","0.0405","","","0.1146","0.1155","","","","","","1.046","","","","has coordinates","273141","2022-02-24","02:12:30",""
"7244489","14.4591","0.0007","14.5057","0.0005","15.3163","0.0005","66.263","0.003","80.241","0.003","63.042","0.004","2620.8","0.2","149.99","0.1","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C116 H144 Cl2 O18 -","- C116 H144 Cl2 O18 -","- C116 H144 Cl2 O18 -","1","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","1.54184","CuKα","","0.1033","0.0963","","","0.2531","0.2607","","","","","","1.043","","","","has coordinates,has disorder","273141","2022-02-24","02:12:30",""
"7244490","14.606","0.006","14.673","0.006","15.496","0.006","66.376","0.005","80.644","0.005","62.069","0.005","2687","1.9","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H74 O9 -","- C58 H74 O9 -","- C116 H148 O18 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1453","0.0744","","","0.1701","0.2022","","","","","","1.022","","","","has coordinates,has disorder","273141","2022-02-24","02:12:30",""
"7244491","24.169","0.007","24.169","0.007","18.917","0.008","90","","90","","120","","9570","6","296","2","296","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- C68.83 H89.66 O10 -","- C68.83 H89.66 O10 -","- C412.98 H537.96 O60 -","6","0.5","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1444","0.0713","","","0.2012","0.2676","","","","","","0.989","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244492","14.494","0.00019","14.6906","0.00018","15.1758","0.0002","66.8377","0.0012","81.2331","0.0011","63.0183","0.0013","2646.14","0.07","149.98","0.1","149.98","0.1","","","","","","","","3","P 1","P 1","1","","","","- C59 H76 O9 -","- C59 H76 O9 -","- C118 H152 O18 -","2","2","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","x-ray","1.54184","CuKα","","0.0463","0.0452","","","0.1256","0.1268","","","","","","1.059","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244493","14.4791","0.0002","14.6694","0.0003","15.3429","0.0003","66.8561","0.0018","80.7799","0.0014","62.305","0.0016","2652.25","0.1","149.99","0.1","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C59 H77 N O8 -","- C59 H77 N O8 -","- C118 H154 N2 O16 -","2","2","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","x-ray","1.54184","CuKα","","0.0503","0.0482","","","0.1295","0.1321","","","","","","1.039","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244494","23.363","0.017","23.363","0.017","18.709","0.014","90","","90","","120","","8844","11","296","2","296","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C58 H73 Cl O9 -","- C58 H73 Cl O9 -","- C348 H438 Cl6 O54 -","6","0.5","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1697","0.0808","","","0.2053","0.2748","","","","","","1.022","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244495","14.615","0.002","14.871","0.003","15.668","0.003","66.701","0.002","80.933","0.002","61.155","0.002","2737.2","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H77 N O8 -","- C59 H77 N O8 -","- C118 H154 N2 O16 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1101","0.0766","","","0.2423","0.271","","","","","","1.058","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244496","14.571","0.01","14.891","0.011","15.392","0.011","102.473","0.008","96.914","0.008","119.118","0.007","2747","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H76 O10 -","- C60 H76 O10 -","- C120 H152 O20 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.086","0.0651","","","0.194","0.2188","","","","","","1.041","","","","has coordinates","273141","2022-02-24","02:12:31",""
"7244497","14.49","0.007","14.479","0.007","15.489","0.007","81.001","0.006","66.274","0.005","62.645","0.005","2641","2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C104 H133 O18 -","- C104 H133 O18 -","- C104 H133 O18 -","1","0.5","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1333","0.0972","","","0.3007","0.3339","","","","","","1.06","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244498","14.4119","0.0019","14.557","0.002","15.542","0.002","66.34","0.002","81.457","0.002","62.084","0.002","2635.9","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H68 Cl N O8 -","- C55 H68 Cl N O8 -","- C110 H136 Cl2 N2 O16 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.0885","0.0688","","","0.2038","0.2317","","","","","","1.062","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244499","14.435","0.008","14.541","0.008","15.528","0.008","66.197","0.006","81.269","0.007","61.464","0.006","2616","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H68 Cl N O8 -","- C55 H68 Cl N O8 -","- C110 H136 Cl2 N2 O16 -","2","1","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","0.71073","MoKα","","0.1129","0.0636","","","0.1777","0.2081","","","","","","1.047","","","","has coordinates,has disorder","273141","2022-02-24","02:12:31",""
"7244500","14.4846","0.0004","14.6777","0.0005","15.3743","0.0005","66.81","0.003","80.771","0.003","62.298","0.003","2659.08","0.17","293","2","149.99","0.1","","","","","","","","4","P 1","P 1","1","","","","- C59 H77 N O8 -","- C59 H77 N O8 -","- C118 H154 N2 O16 -","2","2","","Ou, Guang-Chuan; Chen, Hai-Yang; Wang, Qiong; Zhou, Qiang; Zeng, Fei","Structure and absolute configuration of liquid molecules based on adamantane derivative cocrystallization","RSC Advances","2022","12","11","6459","6462","10.1039/D1RA09284G","","","1.54184","CuKα","","0.0701","0.067","","","0.1897","0.1943","","","","","","1.076","","","","has coordinates","295543","2024-10-18","15:17:09",""
"7244521","9.813","0.007","16.798","0.012","15.066","0.011","90","","97.022","0.009","90","","2465","3","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cd N4 O5 Pb S2 -","- C21 H20 Cd N4 O5 Pb S2 -","- C84 H80 Cd4 N16 O20 Pb4 S8 -","4","1","","Majumdar, Dhrubajyoti; Frontera, A.; Gomila, Rosa M.; Das, Sourav; Bankura, Kalipada","Synthesis, spectroscopic findings and crystal engineering of Pb(ii)–Salen coordination polymers, and supramolecular architectures engineered by σ-hole/spodium/tetrel bonds: a combined experimental and theoretical investigation","RSC Advances","2022","12","10","6352","6363","10.1039/D1RA09346K","","","0.71073","MoKα","","0.071","0.0436","","","0.0935","0.1075","","","","","","1.033","","","","has coordinates","273153","2022-02-25","02:14:15",""
"7244528","9.5617","0.0004","39.729","0.0015","10.2744","0.0004","90","","92.477","0.003","90","","3899.4","0.3","200","2","200","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","Palladacycle","","- C43 H41 Cl N5 O3 P Pd -","- C43 H41 Cl N5 O3 P Pd -","- C172 H164 Cl4 N20 O12 P4 Pd4 -","4","1","","Morla, Jhansi Rani; Nareddula, Dastagiri Reddy","Synthesis of dihydroisoquinolinone-4-methylboronic esters via domino Heck/borylation using a structurally characterized palladacycle as a catalyst","RSC Advances","2022","12","11","6762","6771","10.1039/D2RA00389A","","","0.71073","MoKα","","0.1401","0.1159","","","0.2262","0.2373","","","","","","1.06","","","","has coordinates","273189","2022-03-01","02:09:26",""
"7244529","9.3411","0.0014","10.4942","0.0016","21.238","0.004","90","","88.74","0.014","90","","2081.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 B N O5 -","- C20 H30 B N O5 -","- C80 H120 B4 N4 O20 -","4","1","","Morla, Jhansi Rani; Nareddula, Dastagiri Reddy","Synthesis of dihydroisoquinolinone-4-methylboronic esters via domino Heck/borylation using a structurally characterized palladacycle as a catalyst","RSC Advances","2022","12","11","6762","6771","10.1039/D2RA00389A","","x-ray","0.71073","MoKα","","0.0884","0.0571","","","0.1346","0.1554","","","","","","1.033","","","","has coordinates","273189","2022-03-01","02:09:26",""
"7244536","18.6073","0.0015","8.0235","0.0007","27.301","0.002","90","","90.501","0.002","90","","4075.8","0.6","296","2","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.0733","0.0402","","","0.0773","0.088","","","","","","1.009","","","","has coordinates","273202","2022-03-02","02:16:44",""
"7244537","18.566","0.002","8.0029","0.0009","27.231","0.003","90","","90.472","0.002","90","","4045.9","0.8","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.1187","0.0693","","","0.1396","0.1551","","","","","","1.091","","","","has coordinates","273202","2022-03-02","02:16:45",""
"7244538","18.5771","0.0017","8.0007","0.0007","27.235","0.003","90","","90.504","0.002","90","","4047.8","0.7","296","2","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.1392","0.0611","","","0.0829","0.1004","","","","","","1.056","","","","has coordinates","273202","2022-03-02","02:16:47",""
"7244539","18.5787","0.0017","8.0072","0.0008","27.24","0.002","90","","90.531","0.002","90","","4052.1","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.1029","0.0486","","","0.0853","0.1016","","","","","","1.006","","","","has coordinates","273202","2022-03-02","02:16:48",""
"7244540","18.577","0.002","8.0124","0.001","27.266","0.004","90","","90.554","0.002","90","","4058.3","0.9","273","2","273","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.0565","0.0347","","","0.0702","0.0755","","","","","","0.992","","","","has coordinates","273202","2022-03-02","02:16:50",""
"7244541","18.5619","0.0016","8.0153","0.0007","27.22","0.002","90","","90.582","0.001","90","","4049.6","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 N4 O18 Zn3 -","- C46 H28 N4 O18 Zn3 -","- C184 H112 N16 O72 Zn12 -","4","1","","Zhu, Baili; Jin, Yunpeng; Chu, Jingying; Zuo, Minghui; Cui, Shuxin","Metal–organic framework bearing new viologen ligand for ammonia and Cr2O72− sensing","RSC Advances","2022","12","12","6951","6957","10.1039/D2RA00599A","","","0.71073","MoKα","","0.0535","0.0355","","","0.0776","0.0838","","","","","","1.013","","","","has coordinates","273202","2022-03-02","02:16:50",""
"7244555","12.6876","0.0009","27.208","0.002","9.5136","0.0008","90","","100.228","0.004","90","","3231.9","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cl4 Cu2 N6 O3 Se2 -","- C26 H24 Cl4 Cu2 N6 O3 Se2 -","- C104 H96 Cl16 Cu8 N24 O12 Se8 -","4","0.5","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.1688","0.0855","","","0.2145","0.2654","","","","","","0.818","","","","has coordinates","273216","2022-03-03","02:15:36",""
"7244556","6.8328","0.0002","14.7453","0.0003","12.9522","0.0002","90","","99.188","0.002","90","","1288.21","0.05","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N3 O Se -","- C13 H12 N3 O Se -","- C52 H48 N12 O4 Se4 -","4","1","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.0568","0.0415","","","0.1157","0.1229","","","","","","1.038","","","","has coordinates","273216","2022-03-03","02:15:36",""
"7244557","8.1846","0.0004","13.6156","0.0007","33.963","0.001","90","","93.899","0.004","90","","3776","0.3","295","2","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 Cl3 Cu N7 O6 Se2 -","- C34 H21 Cl3 Cu N7 O6 Se2 -","- C136 H84 Cl12 Cu4 N28 O24 Se8 -","4","1","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.1701","0.0931","","","0.2189","0.2448","","","","","","0.837","","","","has coordinates","273216","2022-03-03","02:15:36",""
"7244558","27.812","0.001","10.3367","0.0004","13.4574","0.0006","90","","118.406","0.003","90","","3403","0.3","295","2","295","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cl2 Cu N3 O Se -","- C15 H16 Cl2 Cu N3 O Se -","- C120 H128 Cl16 Cu8 N24 O8 Se8 -","8","1","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.1388","0.0711","","","0.1859","0.2199","","","","","","0.886","","","","has coordinates","273216","2022-03-03","02:15:37",""
"7244559","10.0633","0.0003","28.064","0.001","11.2909","0.0003","90","","93.491","0.002","90","","3182.82","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl4 Cu2 N6 O3 Se2 -","- C26 H24 Cl4 Cu2 N6 O3 Se2 -","- C104 H96 Cl16 Cu8 N24 O12 Se8 -","4","1","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.1419","0.0571","","","0.1125","0.1345","","","","","","0.774","","","","has coordinates","273216","2022-03-03","02:15:37",""
"7244560","20.283","0.002","11.766","0.001","16.376","0.01","90","","104.47","0.01","90","","3784","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H23 Cl Cu N8 O6.5 Se2 -","- C34 H23 Cl Cu N8 O6.5 Se2 -","- C136 H92 Cl4 Cu4 N32 O26 Se8 -","4","1","","Finko, Alexander V.; Sokolov, Anatolii I.; Guk, Dmitry A.; Tafeenko, Victor A.; Moiseeva, Anna A.; Skvortsov, Dmitry A.; Stomakhin, Andrei A.; Beloglazkin, Andrei A.; Borisov, Roman S.; Pergushov, Vladimir I.; Melnikov, Mikhail Ya.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.","Copper coordination compounds with (5Z,5Z′)-2,2′-(alkane-α,ω-diyldiselenyl)-bis-5-(2-pyridylmethylene)-3,5-dihydro-4H-imidazol-4-ones. Comparison with sulfur analogue","RSC Advances","2022","12","12","7133","7148","10.1039/D1RA08995A","","","1.54186","CuKα","","0.3","0.0818","","","0.1609","0.2125","","","","","","0.733","","","","has coordinates","273216","2022-03-03","02:15:37",""
"7244561","8.4288","0.0006","19.7044","0.0013","14.1559","0.001","90","","105.465","0.001","90","","2266","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C104 H128 N8 O4 -","4","1","","Honda, Akinori; Hibi, Yukie; Matsumoto, Kazuma; Kawai, Masato; Miyamura, Kazuo","Alkyl substituent-dependent systematic change in cold crystallization of azo molecules","RSC Advances","2022","12","12","7229","7236","10.1039/D2RA00942K","","","0.71073","MoKα","","0.0518","0.0452","","","0.1274","0.134","","","","","","1.096","","","","has coordinates","273217","2022-03-03","02:16:23",""
"7244562","15.3938","0.0007","15.6175","0.0008","20.4211","0.001","90","","97.107","0.001","90","","4871.8","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(p-Miranphos)palladium(II) dichloride","","","- C45 H32 Cl2 F12 O5 P2 Pd -","- C45 H32 Cl2 F12 O5 P2 Pd -","- C180 H128 Cl8 F48 O20 P8 Pd4 -","4","1","","Herrera, Daniel; Peral, Daniel; Bayón, J. Carles","Preparation of carboxylic arylphosphines by hydrolysis of the trifluoromethyl group","RSC Advances","2022","12","12","7103","7114","10.1039/D2RA00420H","","","0.71073","MoKα","","0.0709","0.0475","","","0.1158","0.1288","","","","","","1.029","","","","has coordinates,has disorder","273218","2022-03-03","02:17:07",""
"7244563","10.1026","0.0005","27.1594","0.0013","36.7299","0.0017","90","","90","","90","","10078","0.8","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H26 Cl2 F12 O4 P2 Pd -","- C42 H26 Cl2 F12 O4 P2 Pd -","- C336 H208 Cl16 F96 O32 P16 Pd8 -","8","1","","Herrera, Daniel; Peral, Daniel; Bayón, J. Carles","Preparation of carboxylic arylphosphines by hydrolysis of the trifluoromethyl group","RSC Advances","2022","12","12","7103","7114","10.1039/D2RA00420H","","","0.71073","MoKα","","0.1889","0.0832","","","0.2291","0.2908","","","","","","1.028","","","","has coordinates,has disorder","273218","2022-03-03","02:17:07",""
"7244566","8.8185","0.0006","9.5207","0.0006","13.4205","0.0009","73.292","0.003","89.917","0.003","76.282","0.003","1045.71","0.12","100","","99.99","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O7 -","- C26 H21 N O7 -","- C52 H42 N2 O14 -","2","1","","Farajpour, Behnaz; Alizadeh, Abdolali","Chemoselective and one-pot synthesis of novel coumarin-based cyclopenta[c]pyrans via base-mediated reaction of α,β-unsaturated coumarins and β-ketodinitriles","RSC Advances","2022","12","12","7262","7267","10.1039/D2RA00594H","","","0.71073","MoKα","","0.0642","0.0459","","","0.1449","0.1714","","","","","","1.28","","","","has coordinates","273344","2022-03-04","21:00:06",""
"7244574","9.0077","0.0003","9.8072","0.0004","11.17","0.0004","85.052","0.002","68.8505","0.0019","81.886","0.002","910.42","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H29 N4 O9 -","- C44 H28.958 N4 O8.958 -","- C44 H28.958 N4 O8.958 -","1","0.5","","Liu, Yu-Chen; Lu, Guo-Dan; Zhou, Jia-Hui; Rong, Jie-Wei; Liu, Hui-Yan; Wang, Hai-Ying","Fluoranthene dyes for the detection of water content in methanol","RSC Advances","2022","12","12","7405","7412","10.1039/D1RA08392A","","","0.71073","MoKα","","0.0846","0.0512","","","0.1534","0.1897","","","","","","1.032","","","","has coordinates,has disorder","273520","2022-03-08","02:09:31",""
"7244579","23.354","0.003","23.354","0.003","13.117","0.003","90","","90","","90","","7154","2","173","2","173","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C13 H15 Cl Co N6 -","- C13 H15 Cl Co N6 -","- C208 H240 Cl16 Co16 N96 -","16","0.5","","Lee, Jaechul; Seo, Younggyu; Kang, Dong Won; Park, Seungjae; Kim, Hyunyong; Kim, Jaheon; Kim, Kimoon; Hong, Chang Seop; Lim, Dae-Woon; Lee, Eunsung","Reversible ammonia uptake at room temperature in a robust and tunable metal–organic framework","RSC Advances","2022","12","13","7605","7611","10.1039/D2RA01270G","","","0.71073","MoKα","","0.0806","0.0716","","","0.2286","0.2377","","","","","","1.122","","","","has coordinates","273550","2022-03-09","02:14:18",""
"7244582","10.15","0.0008","11.7115","0.001","13.276","0.0012","81.779","0.003","72.548","0.002","87.653","0.003","1490","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 N28 O18 Zn3 -","- C54 H46 N28 O18 Zn3 -","- C54 H46 N28 O18 Zn3 -","1","0.5","","Zhou, Zhao-Di; Li, Shi-Qi; Liu, Yin; Du, Bin; Shen, Yuan-Yue; Yu, Bao-Yi; Wang, Chong-Chen","Two bis-ligand-coordinated Zn(ii)-MOFs for luminescent sensing of ions, antibiotics and pesticides in aqueous solutions","RSC Advances","2022","12","13","7780","7788","10.1039/D2RA00376G","","","0.71073","MoKα","","0.1059","0.0646","","","0.1644","0.1956","","","","","","1.063","","","","has coordinates,has disorder","273582","2022-03-10","02:14:48",""
"7244583","7.6389","0.0009","17.543","0.002","23.531","0.003","90","0.002","90","","90","0.002","3153.4","0.7","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H19 N7 O8 Zn2 -","- C33 H19 N7 O8 Zn2 -","- C132 H76 N28 O32 Zn8 -","4","1","","Zhou, Zhao-Di; Li, Shi-Qi; Liu, Yin; Du, Bin; Shen, Yuan-Yue; Yu, Bao-Yi; Wang, Chong-Chen","Two bis-ligand-coordinated Zn(ii)-MOFs for luminescent sensing of ions, antibiotics and pesticides in aqueous solutions","RSC Advances","2022","12","13","7780","7788","10.1039/D2RA00376G","","","0.71073","MoKα","","0.2133","0.1202","","","0.2991","0.3548","","","","","","1.033","","","","has coordinates,has disorder","273582","2022-03-10","02:14:58",""
"7244595","14.399","0.002","15.344","0.003","18.992","0.003","95.64","0.02","96.89","0.02","113.93","0.02","3757.4","1.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H32 Br3 I8 N16 Sb5 -","- C64 H32 Br3 I8 N16 Sb5 -","- C128 H64 Br6 I16 N32 Sb10 -","2","1","","Xue, Qi; Bi, Fuqiang; Luo, Yifen; Zhang, Jiarong; Yang, Kaidi; Wang, Bozhou; Xue, Ganglin","Methyl nitrate energetic compounds based on bicyclic scaffolds of furazan–isofurazan (isoxazole): syntheses, crystal structures and detonation performances","RSC Advances","2022","12","13","7712","7719","10.1039/D2RA00215A","","","0.71073","MoKα","","0.0937","0.0476","","","0.0872","0.0957","","","","","","1.001","","","","has coordinates","273636","2022-03-11","02:29:40",""
"7244596","15.371","0.0008","9.1833","0.0004","7.7679","0.0004","90","","91.405","0.004","90","","1096.16","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N8 O7 -","- C5 H6 N8 O7 -","- C20 H24 N32 O28 -","4","1","","Xue, Qi; Bi, Fuqiang; Luo, Yifen; Zhang, Jiarong; Yang, Kaidi; Wang, Bozhou; Xue, Ganglin","Methyl nitrate energetic compounds based on bicyclic scaffolds of furazan–isofurazan (isoxazole): syntheses, crystal structures and detonation performances","RSC Advances","2022","12","13","7712","7719","10.1039/D2RA00215A","","","1.54178","CuKα","","0.1006","0.0905","","","0.2345","0.2469","","","","","","1.101","","","","has coordinates","273636","2022-03-11","02:29:41",""
"7244608","6.4058","0.0002","12.1092","0.0003","21.6453","0.0007","90","","92.249","0.001","90","","1677.71","0.09","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","TMSOTf-mediated Kröhnke pyridine synthesis using HMDS as the nitrogen source under microwave irradiation","RSC Advances","2022","12","13","8263","8273","10.1039/D2RA00084A","","","0.71073","MoKα","","0.0412","0.0354","","","0.0912","0.0956","","","","","","1.029","","","","has coordinates","273715","2022-03-16","02:14:38",""
"7244609","9.8179","0.0003","10.4973","0.0003","11.9206","0.0003","76.321","0.001","87.727","0.001","66.756","0.001","1094.83","0.05","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C60 H52 N4 -","2","1","","Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","TMSOTf-mediated Kröhnke pyridine synthesis using HMDS as the nitrogen source under microwave irradiation","RSC Advances","2022","12","13","8263","8273","10.1039/D2RA00084A","","","0.71073","MoKα","","0.0529","0.0423","","","0.1058","0.1131","","","","","","1.032","","","","has coordinates","273715","2022-03-16","02:14:41",""
"7244610","6.6073","0.0001","5.1428","0.0001","13.4696","0.0002","90","","97.9328","0.0011","90","","453.317","0.013","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Br2 O5 Sb4 -","- Br2 O5 Sb4 -","- Br4 O10 Sb8 -","2","0.5","","Paul, Sayantani; Sen, Bibaswan; Chakraborty, Nirman; Das, Sangita; Mondal, Swastik; Chattopadhyay, Asoke P.; Ali, Sk Imran","pH-regulated hydrothermal synthesis and characterization of Sb4O5X2 (X = Br/Cl) and its use for the dye degradation of methyl orange both with and without light illumination","RSC Advances","2022","12","14","8374","8384","10.1039/D2RA01215D","","x-ray","0.71073","MoKα","","0.0233","0.0219","","","0.0277","0.028","","","","1.84","1.84","1.8","","","","has coordinates","273716","2022-03-16","02:15:28",""
"7244611","6.2435","0.0003","5.1144","0.0001","13.5502","0.0006","90","","97.252","0.003","90","","429.22","0.03","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cl2 O5 Sb4 -","- Cl2 O5 Sb4 -","- Cl4 O10 Sb8 -","2","0.5","","Paul, Sayantani; Sen, Bibaswan; Chakraborty, Nirman; Das, Sangita; Mondal, Swastik; Chattopadhyay, Asoke P.; Ali, Sk Imran","pH-regulated hydrothermal synthesis and characterization of Sb4O5X2 (X = Br/Cl) and its use for the dye degradation of methyl orange both with and without light illumination","RSC Advances","2022","12","14","8374","8384","10.1039/D2RA01215D","","x-ray","0.71073","MoKα","","0.0308","0.0218","","","0.0247","0.026","","","","1.31","1.31","1.24","","","","has coordinates","273716","2022-03-16","02:15:39",""
"7244612","6.8069","0.0003","6.8839","0.0003","17.1166","0.001","90","","90","","90","","802.05","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Br O5 -","- C6 H11 Br O5 -","- C24 H44 Br4 O20 -","4","1","","Ziemniak, Marcin; Pawlędzio, Sylwia; Zawadzka-Kaźmierczuk, Anna; Dominiak, Paulina M.; Trzybiński, Damian; Koźmiński, Wiktor; Zieliński, Rafał; Fokt, Izabela; Priebe, Waldemar; Woźniak, Krzysztof; Pająk, Beata","X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution","RSC Advances","2022","12","14","8345","8360","10.1039/D1RA08312K","","","1.54184","CuKα","","0.0425","0.0366","","","0.0796","0.0838","","","","","","0.948","","","","has coordinates","273717","2022-03-16","02:16:29",""
"7244613","8.0544","0.0008","10.367","0.0007","10.0444","0.0008","90","","90.784","0.008","90","","838.63","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H11 Br O5 -","- C6 H11 Br O5 -","- C24 H44 Br4 O20 -","4","2","","Ziemniak, Marcin; Pawlędzio, Sylwia; Zawadzka-Kaźmierczuk, Anna; Dominiak, Paulina M.; Trzybiński, Damian; Koźmiński, Wiktor; Zieliński, Rafał; Fokt, Izabela; Priebe, Waldemar; Woźniak, Krzysztof; Pająk, Beata","X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution","RSC Advances","2022","12","14","8345","8360","10.1039/D1RA08312K","","x-ray","1.54184","CuKα","","0.0811","0.079","","","0.2258","0.2285","","","","","","1.05","","","","has coordinates","273717","2022-03-16","02:16:30",""
"7244614","7.7727","0.0009","8.7216","0.0011","10.8637","0.0011","90","","102.983","0.011","90","","717.63","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Ziemniak, Marcin; Pawlędzio, Sylwia; Zawadzka-Kaźmierczuk, Anna; Dominiak, Paulina M.; Trzybiński, Damian; Koźmiński, Wiktor; Zieliński, Rafał; Fokt, Izabela; Priebe, Waldemar; Woźniak, Krzysztof; Pająk, Beata","X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution","RSC Advances","2022","12","14","8345","8360","10.1039/D1RA08312K","","x-ray","0.71073","MoKα","","0.0289","0.0238","","","0.0395","0.041","","","","","","1.0926","","","","has coordinates","273717","2022-03-16","02:16:30",""
"7244627","11.5648","0.0001","6.5343","0.0001","21.5417","0.0002","90","","97.443","0.001","90","","1614.14","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N5 O -","- C19 H17 N5 O -","- C76 H68 N20 O4 -","4","1","","Ng, Jia Hui; Tiekink, Edward R. T.; Dolzhenko, Anton V.","Three-component microwave-assisted synthesis of 3,5-disubstituted pyrazolo[3,4-d]pyrimidin-4-ones","RSC Advances","2022","12","14","8323","8332","10.1039/D2RA00980C","","","1.54184","CuKα","","0.0412","0.039","","","0.0984","0.1005","","","","","","1.067","","","","has coordinates","273752","2022-03-17","02:20:35",""
"7244628","6.3686","0.0003","7.5121","0.0003","17.5514","0.0005","85.174","0.003","80.226","0.003","88.51","0.003","824.51","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br N5 O2 -","- C18 H14 Br N5 O2 -","- C36 H28 Br2 N10 O4 -","2","1","","Ng, Jia Hui; Tiekink, Edward R. T.; Dolzhenko, Anton V.","Three-component microwave-assisted synthesis of 3,5-disubstituted pyrazolo[3,4-d]pyrimidin-4-ones","RSC Advances","2022","12","14","8323","8332","10.1039/D2RA00980C","","","1.54184","CuKα","","0.0263","0.0257","","","0.0633","0.064","","","","","","1.044","","","","has coordinates","273752","2022-03-17","02:20:46",""
"7244645","14.0026","0.0006","11.2217","0.0005","12.8398","0.0005","90","","102.468","0.001","90","","1969.98","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Eu2 N4 O28 -","- C28 H36 Eu2 N4 O28 -","- C56 H72 Eu4 N8 O56 -","2","0.5","","Kong, Ya-Jie; Hou, Guo-Zheng; Gong, Zhao-Ning; Zhao, Feng-Tan; Han, Li-Juan","Fluorescence detection of malachite green and cations (Cr3+, Fe3+ and Cu2+) by a europium-based coordination polymer","RSC Advances","2022","12","14","8435","8442","10.1039/D2RA00077F","","","0.71073","MoKα","","0.0169","0.0151","","","0.0406","0.0413","","","","","","0.996","","","","has coordinates","273769","2022-03-18","02:15:53",""
"7244646","10.869","0.013","11.422","0.013","14.735","0.017","107.96","0.02","110.49","0.02","94.3","0.03","1595","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 Cl2 N6 O6 Ru -","- C29 H36 Cl2 N6 O6 Ru -","- C58 H72 Cl4 N12 O12 Ru2 -","2","1","","Abate, Pedro O.; Peyrot, Analía M.; Fontrodona, Xavier; Romero, Isabel; Fagalde, Florencia; Katz, Néstor E.","New ruthenium polypyridyl complexes as potential sensors of acetonitrile and catalysts for water oxidation","RSC Advances","2022","12","14","8414","8422","10.1039/D1RA09455F","","","0.71076","MoKα","","0.0597","0.0445","","","0.1072","0.12","","","","","","1.057","","","","has coordinates","273770","2022-03-18","02:16:17",""
"7244647","10.024","0.0006","11.6716","0.0008","19.0849","0.0012","90","","90","","90","","2232.9","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H13 Au N3 P S -","- C7 H13 Au N3 P S -","- C56 H104 Au8 N24 P8 S8 -","8","1","","Blasco, Daniel; Rodríguez-Castillo, María; Olmos, M. Elena; Monge, Miguel; López-de-Luzuriaga, José M.","Spontaneous in situ generation of photoemissive aurophilic oligomers in water solution based on the 2-thiocytosine ligand","RSC Advances","2022","12","14","8466","8473","10.1039/D2RA00368F","","x-ray","0.71073","MoKα","","0.0176","0.0173","","","0.0464","0.0466","","","","","","1.104","","","","has coordinates","273771","2022-03-18","02:16:57",""
"7244648","20.087","0.002","17.9784","0.0017","12.3196","0.0011","90","","93.051","0.004","90","","4442.7","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22.5 Au2 F3 N3 O2.25 P2 S -","- C12 H22.5 Au2 F3 N3 O2.25 P2 S -","- C96 H180 Au16 F24 N24 O18 P16 S8 -","8","2","","Blasco, Daniel; Rodríguez-Castillo, María; Olmos, M. Elena; Monge, Miguel; López-de-Luzuriaga, José M.","Spontaneous in situ generation of photoemissive aurophilic oligomers in water solution based on the 2-thiocytosine ligand","RSC Advances","2022","12","14","8466","8473","10.1039/D2RA00368F","","x-ray","0.71073","MoKα","","0.0875","0.0561","","","0.1249","0.1424","","","","","","1.128","","","","has coordinates","273771","2022-03-18","02:16:58",""
"7244653","11.4061","0.0011","8.1735","0.0008","18.7515","0.0017","90","","102.366","0.002","90","","1707.6","0.3","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N-methyl-N-(3-tosylprop-1-en-1-yl)benzamide","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Li, Luan-Ying; Leng, Bo-Rong; Li, Jia-Zhuo; Liu, Qing-Quan; Yu, Jianguang; Wei, Ping; Wang, De-Cai; Zhu, Yi-Long","Palladium-catalyzed regioselective hydrosulfonylation of allenes with sulfinic acids","RSC Advances","2022","12","14","8443","8448","10.1039/D1RA09036D","","","0.71073","MoKα","","0.0911","0.0602","","","0.1523","0.1681","","","","","","1.055","","","","has coordinates","273825","2022-03-19","02:06:08",""
"7244658","8.6009","0.0005","10.6365","0.0007","13.6233","0.0009","95.201","0.005","95.934","0.005","107.575","0.005","1171.97","0.13","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 N3 O S -","- C11 H11 N3 O S -","- C44 H44 N12 O4 S4 -","4","2","","Maganti, Lakshmi Haritha Bharathi; Ramesh, Deepthi; Vijayakumar, Balaji Gowrivel; Khan, Mohd Imran K.; Dhayalan, Arunkumar; Kamalraja, Jayabal; Kannan, Tharanikkarasu","Acetylene containing 2-(2-hydrazinyl)thiazole derivatives: design, synthesis, and in vitro and in silico evaluation of antimycobacterial activity against Mycobacterium tuberculosis","RSC Advances","2022","12","14","8771","8782","10.1039/D2RA00928E","","","0.71073","MoKα","","0.0782","0.0435","","","0.0926","0.1023","","","","","","0.981","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7244659","10.6038","0.0007","9.9316","0.0007","16.1177","0.0011","90","","93.716","0.007","90","","1693.8","0.2","298","2","298","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H14 N4 O S -","- C18 H14 N4 O S -","- C72 H56 N16 O4 S4 -","4","1","","Maganti, Lakshmi Haritha Bharathi; Ramesh, Deepthi; Vijayakumar, Balaji Gowrivel; Khan, Mohd Imran K.; Dhayalan, Arunkumar; Kamalraja, Jayabal; Kannan, Tharanikkarasu","Acetylene containing 2-(2-hydrazinyl)thiazole derivatives: design, synthesis, and in vitro and in silico evaluation of antimycobacterial activity against Mycobacterium tuberculosis","RSC Advances","2022","12","14","8771","8782","10.1039/D2RA00928E","","","0.71073","MoKα","","0.0582","0.0444","","","0.117","0.1287","","","","","","1.033","","","","has coordinates","273884","2022-03-22","02:09:37",""
"7244660","6.9856","0.0004","12.2954","0.0005","19.7434","0.0009","90","","90","","90","","1695.78","0.14","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- Eu K2 O8 P W -","- Eu K2 O8 P W -","- Eu8 K16 O64 P8 W8 -","8","0.5","","Terebilenko, Kateryna V.; Chornii, Vitalii P.; Zozulia, Valeriіa O.; Gural'skiy, Il'ya A.; Shova, Sergiu G.; Nedilko, Serhii G.; Slobodyanik, Mykola S.","Crystal growth, layered structure and luminescence properties of K2Eu(PO4)(WO4)","RSC Advances","2022","12","15","8901","8907","10.1039/D2RA00932C","","x-ray","0.71073","MoKα","","0.0413","0.0326","","","0.0799","0.087","","","","","","1.084","","","","has coordinates","273913","2022-03-23","02:13:30",""
"7244663","7.1957","0.001","12.0448","0.0013","10.685","0.002","90","","101.652","0.015","90","","907","0.2","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloro{N1,N1-dimethyl-N2-[(1R,2S,3R,4S)-2-oxy-1,7,7- trimethylbicyclo[2.2.1]heptane -3-yl]ethane-1,2-diamine-N1,N2,O}copper(II)","","- C14 H28 Cl2 Cu N2 O -","- C14 H28 Cl2 Cu N2 O -","- C28 H56 Cl4 Cu2 N4 O2 -","2","1","","Gur'eva, Yana A.; Zalevskaya, Olga A.; Shevchenko, Oksana G.; Slepukhin, Pavel A.; Makarov, Vadim A.; Kuchin, Aleksandr V.","Copper(ii) complexes with terpene derivatives of ethylenediamine: synthesis, and antibacterial, antifungal and antioxidant activity","RSC Advances","2022","12","15","8841","8851","10.1039/D2RA00223J","","x-ray","0.71073","MoKα","","0.1501","0.0985","","","0.2429","0.3056","","","","","","1.028","","","","has coordinates","273948","2022-03-24","02:14:44",""
"7244668","17.347","0.002","10.9004","0.0012","19.96","0.002","90","","99.553","0.004","90","","3721.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cu2 N4 O13 -","- C40 H36 Cu2 N4 O13 -","- C160 H144 Cu8 N16 O52 -","4","1","","Zhang, Ya-Qian; Xu, Ning; Liu, Yu; Zhang, Xiao-Sa; Li, Wen-Ze; Zhao, Hong-Tian; Luan, Jian","Synthesis of a 2D Cu@TiO2 composite via the design of a 1D Cu-based coordination polymer precursor for efficient and selective photodegradation of dyes","RSC Advances","2022","12","15","9363","9372","10.1039/D1RA09309F","","","0.71073","MoKα","","0.0614","0.0377","","","0.1034","0.1158","","","","","","1.02","","","","has coordinates,has disorder","273963","2022-03-25","02:18:07",""
"7244671","27.2898","0.001","7.681","0.0003","16.4376","0.0006","90","","98.219","0.004","90","","3410.1","0.2","113.15","","113.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C152 H176 O48 -","8","1","","Cui, Yi; Lv, Jiayuan; Song, Tianhang; Ren, Jun; Wang, Zhongwen","Highly efficient construction of an oxa-[3.2.1]octane-embedded 5–7–6 tricyclic carbon skeleton and ring-opening of the bridged ring via C–O bond cleavage","RSC Advances","2022","12","16","9519","9523","10.1039/D2RA01315K","","x-ray","0.71073","MoKα","","0.068","0.0497","","","0.1145","0.1273","","","","","","1.025","","","","has coordinates","274016","2022-03-26","02:10:26",""
"7244717","14.783","0.004","12.746","0.002","16.051","0.003","90","","107.908","0.006","90","","2877.9","1.1","296","2","296","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Br4 Cd N2 O2 -","- C24 H26 Br4 Cd N4 O2 -","- C96 H104 Br16 Cd4 N16 O8 -","4","1","","Msalmi, Rawia; Elleuch, Slim; Hamdi, Besma; Abd El-Fattah, Wesam; Ben Hamadi, Naoufel; Naïli, Houcine","Organically tuned white-light emission from two zero-dimensional Cd-based hybrids","RSC Advances","2022","12","17","10431","10442","10.1039/D1RA08953F","","x-ray","0.71073","MoKα","","0.0909","0.0388","","","0.064","0.0776","","","","","","0.974","","","","has coordinates","274367","2022-04-06","01:27:22",""
"7244736","16.0672","0.0003","17.0707","0.0003","32.9542","0.0003","80.8164","0.001","82.7276","0.001","63.1499","0.0017","7945.6","0.2","99.9","0.6","99.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C162 H128 Au11 F12 P8 Sb -","- C162 H128 Au11 F12 P8 Sb -","- C324 H256 Au22 F24 P16 Sb2 -","2","1","","Gao, Yan-Li; Bi, Shiqing; Wang, Yufei; Li, Jian; Su, Ting; Gao, Xuchun","Co-ligand triphenylphosphine/alkynyl-stabilized undecagold nanocluster with a capped crown structure","RSC Advances","2022","12","18","11047","11051","10.1039/D2RA01080A","","","1.54184","CuKα","","0.0748","0.065","","","0.176","0.1851","","","","","","1.03","","","","has coordinates,has disorder","274424","2022-04-08","01:13:03",""
"7244737","9.996","0.002","14.546","0.002","17.271","0.004","90","","90","","90","","2511.2","0.8","300","2","300","2","","","","","","","synthetic","5","P 21 21 21","P 2ac 2ab","19","","[(Di-tert-butylphosphanyl)ethylcyclopentadienyl-P] (hydrido)(diphenylsilyl)cobalt(III)","","- C27 H38 Co P Si -","- C27 H38 Co P Si -","- C108 H152 Co4 P4 Si4 -","4","1","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","","0.71073","MoKα","","0.0573","0.0331","","0.0586","","0.0564","","","1.102","","","1.295","","","","has coordinates","274425","2022-04-08","01:14:27",""
"7244738","9.4018","0.0004","9.7068","0.0005","16.7103","0.0009","79.588","0.004","76.006","0.004","88.447","0.004","1455.16","0.13","120.15","","120.15","","","","","","","","","5","P -1","-P 1","2","","3-butyl-2,4-dichloro-1,5-bis(methylsulfinyl)benzene","","- C12 H16 Cl2 O2 S2 -","- C12 H16 Cl2 O2 S2 -","- C48 H64 Cl8 O8 S8 -","4","2","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","x-ray","1.54184","CuKα","","0.0487","0.0466","","","0.1213","0.1237","","","","","","1.088","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7244739","13.2924","0.0003","6.2675","0.0001","27.5289","0.0007","90","","99.973","0.002","90","","2258.78","0.09","100.15","","100.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51.26 H40.3 S10 -","- C51.266 H40.304 S10 -","- C102.532 H80.608 S20 -","2","0.5","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","x-ray","1.54184","CuKα","","0.0367","0.0332","","","0.086","0.0883","","","","","","1.062","","","","has coordinates,has disorder","274425","2022-04-08","01:14:28",""
"7244740","10.4234","0.0005","10.8106","0.0005","11.3323","0.0003","93.809","0.003","104.307","0.004","118.489","0.005","1061.75","0.1","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 S5 -","- C22 H16 S5 -","- C44 H32 S10 -","2","1","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","x-ray","1.54184","CuKα","","0.0381","0.0326","","","0.082","0.0849","","","","","","1.041","","","","has coordinates","274425","2022-04-08","01:14:31",""
"7244741","9.1703","0.0002","14.5677","0.0003","22.803","0.0005","90","","99.171","0.002","90","","3007.32","0.11","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-butyl-2,4-dichloro-1,5-bis(methylsulfinyl)benzene","","- C12 H16 Cl2 O2 S2 -","- C12 H16 Cl2 O2 S2 -","- C96 H128 Cl16 O16 S16 -","8","2","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","x-ray","1.54184","CuKα","","0.0746","0.0695","","","0.1934","0.2002","","","","","","1.054","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7244742","9.6067","0.0003","11.3115","0.0002","11.6687","0.0002","76.325","0.002","78.743","0.002","88.93","0.002","1207.84","0.05","100.15","","100.15","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H22 S5 -","- C56 H44 S10 -","- C56 H44 S10 -","1","0.5","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","x-ray","1.54184","CuKα","","0.0391","0.038","","","0.0933","0.0942","","","","","","1.096","","","","has coordinates","274425","2022-04-08","01:14:43",""
"7244743","11.4465","0.0008","15.6595","0.0016","16.0158","0.001","61.528","0.006","71.074","0.005","68.526","0.007","2308.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H76 Li O6 P3 -","- C41 H76 Li O6 P3 -","- C82 H152 Li2 O12 P6 -","2","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Activation of the CP bond in phosphanylphosphaalkenes (CP–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi","RSC Advances","2022","12","18","10989","10996","10.1039/D1RA09215D","","x-ray","0.71073","MoKα","","0.091","0.0468","","","0.1065","0.1179","","","","","","0.967","","","","has coordinates","274426","2022-04-08","01:16:00",""
"7244744","11.8649","0.0003","12.6361","0.0004","15.6655","0.0004","90","","90","","90","","2348.67","0.11","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 P2 -","- C23 H40 P2 -","- C92 H160 P8 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Activation of the CP bond in phosphanylphosphaalkenes (CP–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi","RSC Advances","2022","12","18","10989","10996","10.1039/D1RA09215D","","x-ray","0.71073","MoKα","","0.0489","0.0364","","","0.0784","0.0828","","","","","","1.046","","","","has coordinates","274426","2022-04-08","01:16:07",""
"7244745","12.1986","0.0005","19.21","0.0008","20.5903","0.0009","115.094","0.003","100.381","0.003","98.093","0.003","4168.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H118 Li2 O6 P6 -","- C84 H118 Li2 O6 P6 -","- C168 H236 Li4 O12 P12 -","2","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Activation of the CP bond in phosphanylphosphaalkenes (CP–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi","RSC Advances","2022","12","18","10989","10996","10.1039/D1RA09215D","","x-ray","0.71073","MoKα","","0.1587","0.0836","","","0.2091","0.2549","","","","","","1.026","","","","has coordinates","274426","2022-04-08","01:16:10",""
"7244760","6.47","0.0004","7.6623","0.0005","9.8461","0.0006","78.562","0.001","79.556","0.001","70.392","0.002","447.19","0.05","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C20 H30 O4 -","1","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0305","0.0304","","","0.0799","0.08","","","","","","1.069","","","","has coordinates","274467","2022-04-12","01:39:14",""
"7244761","11.7128","0.0003","7.992","0.0002","11.8269","0.0003","90","","115.224","0.001","90","","1001.54","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C42 H68 O10 -","2","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.031","0.0302","","","0.08","0.0811","","","","","","1.047","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244762","7.4299","0.0001","10.3592","0.0002","23.4977","0.0003","90","","90","","90","","1808.57","0.05","173","2","173.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.34139","GaKα","","0.0596","0.0576","","","0.1462","0.148","","","","","","1.074","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244763","6.4502","0.0003","14.2302","0.0006","9.9729","0.0004","90","","98.573","0.002","90","","905.16","0.07","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.34139","GaKα","","0.0413","0.0407","","","0.1083","0.109","","","","","","1.08","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244764","7.43","0.0003","12.1373","0.0005","21.6486","0.0008","90","","90","","90","","1952.27","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O7 -","- C20 H34 O7 -","- C80 H136 O28 -","4","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0404","0.0389","","","0.1043","0.1057","","","","","","1.093","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244765","6.6713","0.0002","19.5694","0.0007","7.1999","0.0002","90","","92.551","0.001","90","","939.04","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O6 -","- C20 H32 O6 -","- C40 H64 O12 -","2","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0503","0.0492","","","0.1288","0.1304","","","","","","1.04","","","","has coordinates","274467","2022-04-12","01:39:16",""
"7244766","8.4122","0.0002","19.7326","0.0006","11.0321","0.0003","90","","92.236","0.001","90","","1829.87","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","2","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0327","0.0322","","","0.0841","0.0846","","","","","","1.052","","","","has coordinates,has disorder","274467","2022-04-12","01:39:16",""
"7244782","16.6753","0.0004","61.6021","0.0017","18.8069","0.0007","90","","91.986","0.002","90","","19307.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C184 H239 Br2 Co3 Li9 N22 O16 -","- C174 H218 Br2 Co3 Li9 N17 O16 -","- C696 H872 Br8 Co12 Li36 N68 O64 -","4","1","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","","0.71073","MoKα","","0.2373","0.1766","","","0.3987","0.4369","","","","","","1.065","","","","has coordinates","274546","2022-04-15","01:21:17",""
"7244783","16.9279","0.0002","21.3316","0.0003","24.0984","0.0004","88.438","0.001","85.353","0.001","68.197","0.001","8052.8","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C158 H197 Br Co6 N13 Na O13 -","- C144 H176 Br Co6 N6 Na O13 -","- C288 H352 Br2 Co12 N12 Na2 O26 -","2","1","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","x-ray","1.54178","CuKα","","0.0872","0.07","","","0.1987","0.2111","","","","","","1.063","","","","has coordinates,has disorder","274546","2022-04-15","01:21:18",""
"7244784","21.7315","0.0002","31.5316","0.0005","29.9771","0.0005","90","","94.9104","0.0012","90","","20465.8","0.5","100.15","","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C214 H270 Br Co4 N19 Na O16 -","- C196 H243 Br Co4 N10 Na O16 -","- C784 H972 Br4 Co16 N40 Na4 O64 -","4","1","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","x-ray","1.54184","CuKα","","0.1079","0.0938","","","0.256","0.2651","","","","","","1.034","","","","has coordinates,has disorder","274546","2022-04-15","01:21:18",""
"7244785","10.4262","0.0002","57.4173","0.001","35.88","0.0008","90","","96.577","0.002","90","","21338","0.7","100.15","","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C360 H460 Br6 Co9 Li21 N44 O44 -","- C308 H382 Br6 Co9 Li21 N18 O44 -","- C616 H764 Br12 Co18 Li42 N36 O88 -","2","0.5","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","x-ray","0.71075","MoKα","","0.1505","0.115","","","0.3406","0.3653","","","","","","1.345","","","","has coordinates,has disorder","274546","2022-04-15","01:21:18",""
"7244786","41.7805","0.0002","41.7805","0.0002","17.562","0.0002","90","","90","","90","","30656.4","0.4","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C122 H157 Br2 Co2.44 Li5.56 N17 O10 -","- C106 H131 Br2 Co2.438 Li5.562 N9 O10 -","- C848 H1048 Br16 Co19.504 Li44.496 N72 O80 -","8","0.5","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","","0.71073","MoKα","","0.1479","0.0978","","","0.2938","0.3475","","","","","","1.027","","","","has coordinates,has disorder","274546","2022-04-15","01:21:18",""
"7244787","41.6832","0.0005","41.6832","0.0005","17.4818","0.0003","90","","90","","90","","30374.4","0.7","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C123.58 H157.38 Br1.58 Cl2.62 Co2.81 Li5.19 N17.79 O10 -","- C99.584 H121.376 Br1.584 Cl2.624 Co2.806 Li5.194 N5.792 O10 -","- C796.672 H971.008 Br12.672 Cl20.992 Co22.448 Li41.552 N46.336 O80 -","8","0.5","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","","0.71075","MoKα","","0.1571","0.0968","","","0.2934","0.3319","","","","","","1.046","","","","has coordinates,has disorder","274546","2022-04-15","01:21:19",""
"7244788","10.6094","0.0007","17.1327","0.0012","20.911","0.0015","107.144","0.004","93.425","0.003","104.202","0.004","3485.1","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C134 H189 Br2 Co2 Li8 N9 O17 -","- C128 H176 Br2 Co2 Li8 N8 O16 -","- C128 H176 Br2 Co2 Li8 N8 O16 -","1","0.5","","Ignaszak, Anna; Patterson, Nigel; O'Brien, Connor; True, Allison; Elsegood, Mark R. J.; Prior, Timothy J.; Redshaw, Carl","Heterometallic cobalt(ii) calix[6 and 8]arenes: synthesis, structure and electrochemical activity","RSC Advances","2022","12","19","11672","11685","10.1039/D2RA01009G","","","0.71073","MoKα","","0.1434","0.1138","","","0.3494","0.382","","","","","","1.043","","","","has coordinates,has disorder","274546","2022-04-15","01:21:19",""
"7244789","21.8108","0.0004","7.0776","0.0002","18.1625","0.0005","90","","116.465","0.003","90","","2509.9","0.13","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N3 O2 -","- C12 H17 N3 O2 -","- C96 H136 N24 O16 -","8","1","","Scheepers, Matthew C.; Fernandes, Manuel A.; Lemmerer, Andreas","Chains or rings? Polymorphism of an isoniazid derivative derivatized with diacetone alcohol","RSC Advances","2022","12","19","11658","11664","10.1039/D2RA02057B","","x-ray","0.71073","MoKα","","0.0933","0.0452","","","0.0978","0.1115","","","","","","0.863","","","","has coordinates","274547","2022-04-15","01:22:47",""
"7244790","9.2041","0.0002","11.1274","0.0003","11.9383","0.0003","90","","92.357","0.001","90","","1221.66","0.05","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N3 O2 -","- C12 H17 N3 O2 -","- C48 H68 N12 O8 -","4","1","","Scheepers, Matthew C.; Fernandes, Manuel A.; Lemmerer, Andreas","Chains or rings? Polymorphism of an isoniazid derivative derivatized with diacetone alcohol","RSC Advances","2022","12","19","11658","11664","10.1039/D2RA02057B","","x-ray","0.71073","MoKα","","0.0578","0.0382","","","0.0896","0.0987","","","","","","1.066","","","","has coordinates","274547","2022-04-15","01:22:47",""
"7244856","6.787","0.002","12.178","0.005","17.714","0.007","90","","98.997","0.011","90","","1446.1","0.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 N4 O4 -","- C17 H12 N4 O4 -","- C68 H48 N16 O16 -","4","1","","Paul, Suparna; Mondal, Udayan; Nag, Somrita; Seth, Madhupa; Banerjee, Priyabrata","Unveiling of a smartphone-mediated ratiometric chemosensor towards the nanomolar level detection of lethal CN−: combined experimental and theoretical validation with the proposition of a molecular logic circuitry","RSC Advances","2022","12","20","12564","12572","10.1039/D1RA07139D","","","0.71073","MoKα","","0.146","0.0945","","","0.1903","0.2092","","","","","","1.138","","","","has coordinates","274711","2022-04-27","01:08:25",""
"7244857","7.4634","0.0005","10.6336","0.0009","10.3869","0.0007","90","","90","","90","","824.33","0.1","290","2","290","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ca1.62 In0.69 Na6.23 O18 Si6 -","- Ca1.62 In0.683 Na6.242 O18 Si6 -","- Ca3.24 In1.366 Na12.484 O36 Si12 -","2","0.25","","Ferdov, Stanislav; Shivachev, Boris; Titorenkova, Rositsa; Petrova, Nadia; Tarassov, Mihail; Nikolova, Rositsa","Indium silicate with an imandrite-type structure","RSC Advances","2022","12","20","12531","12536","10.1039/D2RA00864E","","x-ray","0.71073","MoKα","","0.0457","0.0394","","","0.0737","0.0761","","","","","","1.143","","","","has coordinates","274712","2022-04-27","01:09:15",""
"7244858","7.459427","","10.620756","","10.375741","","90","","90","","90","","822.016","","300","","300","","","","100","","","","","5","P n n m","-P 2 2n","58","MS-2","","","- Ca3.16 In1.36 Na12.53 O36 Si12 -","- Ca3.1554 In1.3606 Na12.5292 O36 Si12 -","- Ca3.1554 In1.3606 Na12.5292 O36 Si12 -","1","0.125","","Ferdov, Stanislav; Shivachev, Boris; Titorenkova, Rositsa; Petrova, Nadia; Tarassov, Mihail; Nikolova, Rositsa","Indium silicate with an imandrite-type structure","RSC Advances","2022","12","20","12531","12536","10.1039/D2RA00864E","powder diffraction","x-ray","1.54051","CuKα","","0.0569","","","","0.15318","","0.1091","","1.32","","","","","","","has coordinates","274712","2022-04-27","01:09:15",""
"7244880","12.1766","0.0012","12.1766","0.0012","6.9569","0.0011","90","","90","","120","","893.3","0.19","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H36 B2 F8 N12 Zn -","- C30 H36 B2 F8 N12 Zn -","- C30 H36 B2 F8 N12 Zn -","1","0.166667","","Lee, Hyemin; Kim, Min-Yeong; Lee, Haeri","Structural and anionic effects of microcrystalline Zn-CPs on 4-nitrophenol sensing performances","RSC Advances","2022","12","21","12957","12966","10.1039/D2RA01239A","","","0.71073","MoKα","","0.0845","0.0666","","","0.143","0.1518","","","","","","1.081","","","","has coordinates","274828","2022-05-03","01:42:48",""
"7244881","12.3005","0.0017","12.3005","0.0017","6.731","0.0014","90","","90","","120","","882","0.3","173","2","173","2","","","","","","","","6","P -3","-P 3","147","","","","- C30 H36 Cl2 N12 O8 Zn -","- C30 H36 Cl2 N12 O8 Zn -","- C30 H36 Cl2 N12 O8 Zn -","1","0.166667","","Lee, Hyemin; Kim, Min-Yeong; Lee, Haeri","Structural and anionic effects of microcrystalline Zn-CPs on 4-nitrophenol sensing performances","RSC Advances","2022","12","21","12957","12966","10.1039/D2RA01239A","","","0.65","synchrotron","","0.044","0.0424","","","0.1168","0.1178","","","","","","1.159","","","","has coordinates","274828","2022-05-03","01:42:59",""
"7244882","8.4896","0.0004","8.6765","0.0005","14.641","0.0007","87.742","0.002","89.147","0.002","83.008","0.002","1069.55","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N8 O6 Zn -","- C15 H18 N8 O6 Zn -","- C30 H36 N16 O12 Zn2 -","2","1","","Lee, Hyemin; Kim, Min-Yeong; Lee, Haeri","Structural and anionic effects of microcrystalline Zn-CPs on 4-nitrophenol sensing performances","RSC Advances","2022","12","21","12957","12966","10.1039/D2RA01239A","","","0.71073","MoKα","","0.0448","0.0417","","","0.1079","0.1104","","","","","","1.04","","","","has coordinates","274828","2022-05-03","01:43:02",""
"7244883","19.4671","0.0016","5.8892","0.0008","10.9041","0.0012","90","","103.106","0.011","90","","1217.5","0.2","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Br F5 -","- C13 H6 Br F5 -","- C52 H24 Br4 F20 -","4","1","","Xu, Jie; Liu, Jiangjun; Chen, Gang; Xiong, Baojian; Zhang, Xuemei; Lian, Zhong","Palladium-catalysed difluoroolefination of benzyl tosylates toward the synthesis of gem-difluoro-2-trifluromethyl styrene derivatives","RSC Advances","2022","12","21","12983","12987","10.1039/D2RA02473J","","x-ray","0.71073","MoKα","","0.1767","0.068","","","0.1502","0.2072","","","","","","0.988","","","","has coordinates","274829","2022-05-03","01:43:29",""
"7244889","8.5903","0.0003","17.6173","0.0012","19.5808","0.0011","112.588","0.006","92.604","0.004","102.434","0.004","2644.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H67 N5 O2 Si2 -","- C62 H67 N5 O2 Si2 -","- C124 H134 N10 O4 Si4 -","2","1","","Zhou, Pengxin; Deng, Lanlan; Han, Zengtao; Zhao, Xiaolong; Zhang, Zhe; Huo, Shuhui","Benzo[de]isoquinoline-1,3-dione condensed asymmetric azaacenes as strong acceptors","RSC Advances","2022","12","21","13480","13486","10.1039/D2RA01074G","","","1.54184","CuKα","","0.1323","0.0844","","","0.2208","0.2597","","","","","","1.005","","","","has coordinates","274906","2022-05-05","01:12:15",""
"7244890","15.5906","0.0007","23.349","0.0007","16.177","0.0009","90","","114.138","0.006","90","","5373.9","0.5","149.97","0.11","149.97","0.11","","","","","","","","5","I 1 2/m 1","-I 2y","12","","BQD-AP","","- C60 H63 N5 O2 Si2 -","- C60 H63 N5 O2 Si2 -","- C240 H252 N20 O8 Si8 -","4","0.5","","Zhou, Pengxin; Deng, Lanlan; Han, Zengtao; Zhao, Xiaolong; Zhang, Zhe; Huo, Shuhui","Benzo[de]isoquinoline-1,3-dione condensed asymmetric azaacenes as strong acceptors","RSC Advances","2022","12","21","13480","13486","10.1039/D2RA01074G","","x-ray","1.54184","CuKα","","0.1084","0.0861","","","0.2363","0.2589","","","","","","1.039","","","","has coordinates,has disorder","274906","2022-05-05","01:12:15",""
"7244891","8.057","0.0002","17.2302","0.0004","17.433","0.0003","102.994","0.002","99.015","0.002","100.35","0.002","2270.21","0.09","149.99","0.11","149.99","0.11","","","","","","","","6","P -1","-P 1","2","","BQD-TZ","","- C48 H59 N5 O2 S Si2 -","- C48 H59 N5 O2 S Si2 -","- C96 H118 N10 O4 S2 Si4 -","2","1","","Zhou, Pengxin; Deng, Lanlan; Han, Zengtao; Zhao, Xiaolong; Zhang, Zhe; Huo, Shuhui","Benzo[de]isoquinoline-1,3-dione condensed asymmetric azaacenes as strong acceptors","RSC Advances","2022","12","21","13480","13486","10.1039/D2RA01074G","","x-ray","1.54184","CuKα","","0.0645","0.0526","","","0.1346","0.1412","","","","","","1.047","","","","has coordinates,has disorder","274906","2022-05-05","01:12:15",""
"7244892","8.3185","0.0004","17.6483","0.0007","15.7257","0.0008","90","","101.951","0.004","90","","2258.61","0.18","120","0.1","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cu2 N6 O12 -","- C48 H50 Cu2 N6 O12 -","- C96 H100 Cu4 N12 O24 -","2","0.5","","Goudarziafshar, Hamid; Yousefi, Somaieh; Abbasi Tyula, Yunes; Dušek, Michal; Eigner, Václav","Template synthesis, DNA binding, antimicrobial activity, Hirshfeld surface analysis, and 1D helical supramolecular structure of a novel binuclear copper(ii) Schiff base complex","RSC Advances","2022","12","22","13580","13592","10.1039/D2RA00719C","","x-ray","1.54184","CuKα","","0.0455","0.0414","","","0.1112","0.1138","","","","1.83","1.83","1.77","","","","has coordinates","274935","2022-05-05","18:32:39",""
"7244905","7.979","0.0012","16.281","0.003","9.8619","0.0014","90","","98.16","0.004","90","","1268.2","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br2 N4 O6 V2 -","- C26 H20 Br2 N4 O6 V2 -","- C52 H40 Br4 N8 O12 V4 -","2","0.5","","Borah, Rakhimoni; Lahkar, Surabhi; Deori, Naranarayan; Brahma, Sanfaori","Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes","RSC Advances","2022","12","22","13740","13748","10.1039/D2RA01448C","","","0.71073","MoKα","","0.0588","0.0428","","","0.0791","0.0842","","","","","","1.06","","","","has coordinates","275179","2022-05-07","01:07:10",""
"7244906","6.6846","0.0007","8.3382","0.0009","30","0.003","90","","90.978","0.003","90","","1671.9","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 N3 O3 V -","- C17 H20 N3 O3 V -","- C68 H80 N12 O12 V4 -","4","2","","Borah, Rakhimoni; Lahkar, Surabhi; Deori, Naranarayan; Brahma, Sanfaori","Synthesis, characterization and application of oxovanadium(iv) complexes with [NNO] donor ligands: X-ray structures of their corresponding dioxovanadium(v) complexes","RSC Advances","2022","12","22","13740","13748","10.1039/D2RA01448C","","","0.71073","MoKα","","0.041","0.0331","","","0.0845","0.0894","","","","","","1.049","","","","has coordinates","275179","2022-05-07","01:07:11",""
"7244909","20.5241","0.0016","10.072","0.0008","19.8797","0.0016","90","","115.305","0.001","90","","3715.2","0.5","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C75 H12 -","- C75 H12 -","- C300 H48 -","4","1","","Chang, Wei-Wei; He, Fa-Hui; García-Peñas, Alberto; Shekh, Mehdihasan I.; Li, Zong-Jun","Reactions of [60]fullerene with alkynes promoted by OH−","RSC Advances","2022","12","22","14018","14021","10.1039/D2RA01300B","","","0.71073","MoKα","","0.1342","0.0516","","","0.0832","0.1065","","","","","","0.966","","","","has coordinates","275317","2022-05-11","01:09:39",""
"7244910","16.8382","0.0014","9.3932","0.0008","21.5579","0.0018","90","","112.592","0.001","90","","3148","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 Dy N15 O5 -","- C27 H28 Dy N15 O5 -","- C108 H112 Dy4 N60 O20 -","4","1","","Hu, Biao; Xi, Jing; Cen, Peipei; Guo, Yan; Ding, Yi; Qin, Yuanyuan; Zhang, Yi-Quan; Liu, Xiangyu","A mononuclear nine-coordinated Dy(iii) complex exhibiting field-induced single-ion magnetism behaviour","RSC Advances","2022","12","22","13992","13998","10.1039/D2RA02260E","","","0.71073","MoKα","","0.0633","0.0374","","","0.0797","0.1029","","","","","","1.084","","","","has coordinates,has disorder","275318","2022-05-11","01:10:00",""
"7244942","12.3026","0.0001","10.1928","0.0001","56.9658","0.0004","90","","94.734","0.001","90","","7119.02","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 Se -","- C12 H12 N2 O2 Se -","- C288 H288 N48 O48 Se24 -","24","6","","Murata, Yuki; Tsuchida, Saori; Nezaki, Rena; Kitamura, Yuki; Matsumura, Mio; Yasuike, Shuji","Silver-catalyzed three-component reaction of uracils, arylboronic acids, and selenium: synthesis of 5-arylselanyluracils","RSC Advances","2022","12","23","14502","14508","10.1039/D2RA01685K","","x-ray","1.54184","CuKα","","0.0446","0.0424","","","0.0995","0.1006","","","","","","1.237","","","","has coordinates","275425","2022-05-14","01:06:46",""
"7244943","9.407","0.003","11.689","0.004","12.393","0.004","115.971","0.004","102.307","0.002","91.501","0.002","1185.8","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N4 S -","- C28 H24 N4 S -","- C56 H48 N8 S2 -","2","1","","Puji Pamungkas, Khurnia Krisna; Maruyama, Toshifumi; Murai, Toshiaki","5-N-Arylaminothiazoles with pyridyl groups and their first-row transition metal complexes: synthesis, photophysical properties, and Zn sensing","RSC Advances","2022","12","23","14698","14706","10.1039/D2RA01694J","","","0.71075","MoKα","","0.06","0.0468","","","0.1271","0.1347","","","","","","0.965","","","","has coordinates","275473","2022-05-17","01:12:42",""
"7244944","15.905","0.0011","8.6642","0.0004","20.567","0.0009","90","","107.528","0.006","90","","2702.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl2 N4 Ni S -","- C28 H24 Cl2 N4 Ni S -","- C112 H96 Cl8 N16 Ni4 S4 -","4","1","","Puji Pamungkas, Khurnia Krisna; Maruyama, Toshifumi; Murai, Toshiaki","5-N-Arylaminothiazoles with pyridyl groups and their first-row transition metal complexes: synthesis, photophysical properties, and Zn sensing","RSC Advances","2022","12","23","14698","14706","10.1039/D2RA01694J","","","0.71073","MoKα","","0.0891","0.0648","","","0.1722","0.1997","","","","","","1.062","","","","has coordinates","275473","2022-05-17","01:12:43",""
"7244964","10.7631","0.0015","5.4109","0.0008","4.9961","0.0007","90","","96.295","0.006","90","","289.21","0.07","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","nickel ammine oxalate","","- C2 H6 N2 Ni O4 -","- C2 H6 N2 Ni O4 -","- C4 H12 N4 Ni2 O8 -","2","0.25","","Ma, Huan; Liu, Zhiyong; Liu, Zhihong","The formation mechanism of fibrous metal oxalate prepared by ammonia coordination method","RSC Advances","2022","12","24","15251","15260","10.1039/D2RA00605G","","","0.71073","MoKα","","0.014","0.014","","","0.0362","0.0362","","","","","","1.118","","","","has coordinates","275568","2022-05-20","01:04:57",""
"7244971","17.1509","0.0005","8.369","0.0002","17.487","0.0005","90","","106.949","0.008","90","","2400.99","0.15","20","0","20","0","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 N4 O6 -","- C10 H12 N4 O6 -","- C80 H96 N32 O48 -","8","1","","Hawkins, Bryson A.; Du, Jonathan J.; Lai, Felcia; Stanton, Stephen A.; Williams, Peter A.; Groundwater, Paul W.; Platts, James A.; Overgaard, Jacob; Hibbs, David E.","An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization","RSC Advances","2022","12","25","15670","15684","10.1039/D1RA08389A","","","0.30988","synchrotron","","0.0455","0.033","","","0.0833","0.0872","","","","","","1.024","","","","has coordinates","275622","2022-05-24","01:11:24",""
"7244972","24.3625","0.0002","3.7781","0.0001","8.4798","0.0001","90","","90","","90","","780.51","0.02","150","0","150","0","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H8 N4 O2 -","- C7 H8 N4 O2 -","- C28 H32 N16 O8 -","4","1","","Hawkins, Bryson A.; Du, Jonathan J.; Lai, Felcia; Stanton, Stephen A.; Williams, Peter A.; Groundwater, Paul W.; Platts, James A.; Overgaard, Jacob; Hibbs, David E.","An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization","RSC Advances","2022","12","25","15670","15684","10.1039/D1RA08389A","","","0.71073","MoKα","","0.053","0.0491","","","0.126","0.1283","","","","","","1.298","","","","has coordinates","275622","2022-05-24","01:11:25",""
"7244973","5.1556","0.0001","5.3251","0.0001","8.1942","0.0001","108.108","0.001","101.244","0.001","95.265","0.001","206.898","0.006","149.9","0.5","149.9","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Hawkins, Bryson A.; Du, Jonathan J.; Lai, Felcia; Stanton, Stephen A.; Williams, Peter A.; Groundwater, Paul W.; Platts, James A.; Overgaard, Jacob; Hibbs, David E.","An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization","RSC Advances","2022","12","25","15670","15684","10.1039/D1RA08389A","","x-ray","0.71073","MoKα","","0.0402","0.0388","","","0.1132","0.1143","","","","","","1.053","","","","has coordinates","275622","2022-05-24","01:11:25",""
"7244982","12.891","0.006","8.629","0.005","15.51","0.007","90","","111.57","0.02","90","","1604.5","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H39 N3 O8 -","- C32 H39 N3 O8 -","- C64 H78 N6 O16 -","2","1","","Tian, Heng-Zhi; Tang, Qing-Gang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric synthesis of chiral 1,2-oxazinane and hexahydropyridazin spirocyclic scaffolds by organocatalytic [4 + 2] cycloaddition","RSC Advances","2022","12","25","15713","15717","10.1039/D2RA02759C","","","1.54184","CuKα","","0.0474","0.0332","","","0.0803","0.0836","","","","","","1.062","","","","has coordinates","275635","2022-05-25","01:08:49",""
"7244983","11.2293","0.0006","8.1032","0.0005","11.2293","0.0006","90","","100.54","","90","","1004.55","0.1","274","2","274","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C40 H52 N4 O12 -","2","1","","Tian, Heng-Zhi; Tang, Qing-Gang; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric synthesis of chiral 1,2-oxazinane and hexahydropyridazin spirocyclic scaffolds by organocatalytic [4 + 2] cycloaddition","RSC Advances","2022","12","25","15713","15717","10.1039/D2RA02759C","","","1.54178","CuKα","","0.0439","0.0434","","","0.1008","0.1016","","","","","","1.091","","","","has coordinates","275635","2022-05-25","01:08:49",""
"7244986","9.2325","0.0006","10.3765","0.0007","12.0442","0.0008","77.914","0.004","82.549","0.004","81.437","0.004","1109.89","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N2 O3 -","- C30 H22 N2 O3 -","- C60 H44 N4 O6 -","2","1","","Mani, Suresh; Raju, Rajesh; Raghunathan, Raghavacharry; Arumugam, Natarajan; Almansour, Abdulrahman I.; Kumar, Raju Suresh; Perumal, Karthikeyan","Environmentally friendly domino multicomponent strategy for the synthesis of pyrroloquinolinone hybrid heterocycles","RSC Advances","2022","12","24","15440","15446","10.1039/D2RA02851D","","","0.71073","MoKα","","0.0627","0.044","","","0.1098","0.1217","","","","","","1.027","","","","has coordinates","275654","2022-05-26","01:19:33",""
"7244997","14.9633","0.0003","12.6206","0.0002","8.6067","0.0001","90","","90","","90","","1625.34","0.05","298","2","298","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","4-((4-hydroxy-3-methoxyphenyl)(3-hydroxy-5-methyl-1H-pyrazol-4-yl)methyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C64 H72 N16 O16 -","4","1","","Branković, Jovica; Milovanović, Vesna M.; Simijonović, Dušica; Novaković, Slađana; Petrović, Zorica D.; Trifunović, Snežana S.; Bogdanović, Goran A.; Petrović, Vladimir P.","Pyrazolone-type compounds: synthesis and in silico assessment of antiviral potential against key viral proteins of SARS-CoV-2","RSC Advances","2022","12","25","16054","16070","10.1039/D2RA02542F","","","0.71073","MoKα","","0.0354","0.0314","","","0.0824","0.085","","","","","","1.04","","","","has coordinates","275677","2022-05-28","01:07:25",""
"7245028","9.608","0.0002","9.608","0.0002","6.2085","0.0002","90","","90","","90","","573.13","0.03","300","2","300","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Cd Ge2 O S6 Sr2 -","- Cd Ge2 O S6 Sr2 -","- Cd2 Ge4 O2 S12 Sr4 -","2","0.25","","Tian, Xinyu; Zhang, Xiaodong; Xiao, Yan; Wu, Xiaowen; Zhang, Bingbing; Yang, Daqing; Wu, Kui","From oxides to oxysulfides: the mixed-anion GeS3O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials","RSC Advances","2022","12","25","16296","16300","10.1039/D2RA02605H","","","0.71073","MoKα","","0.0102","0.01","","","0.0231","0.0232","","","","","","0.877","","","","has coordinates","275736","2022-06-02","01:27:38",""
"7245029","9.4322","0.0006","9.4322","0.0006","6.1813","0.0005","90","","90","","90","","549.93","0.07","300","2","300","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- Ge2 O S6 Sr2 Zn -","- Ge2 O S6 Sr2 Zn -","- Ge4 O2 S12 Sr4 Zn2 -","2","0.25","","Tian, Xinyu; Zhang, Xiaodong; Xiao, Yan; Wu, Xiaowen; Zhang, Bingbing; Yang, Daqing; Wu, Kui","From oxides to oxysulfides: the mixed-anion GeS3O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials","RSC Advances","2022","12","25","16296","16300","10.1039/D2RA02605H","","","0.71073","MoKα","","0.0132","0.0128","","","0.0285","0.0286","","","","","","0.862","","","","has coordinates","275736","2022-06-02","01:27:39",""
"7245034","9.7854","0.0006","11.703","0.0007","13.8373","0.0009","67.015","0.003","89.202","0.003","85.046","0.003","1453.03","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H36 O4 -","- C36 H36 O4 -","- C72 H72 O8 -","2","1","","Qin, Hongmei; Xie, Qimei; He, Long","Diastereoselective synthesis of chroman bearing spirobenzofuranone scaffolds via oxa-Michael/1,6-conjugated addition of para-quinone methides with benzofuranone-type olefins","RSC Advances","2022","12","26","16684","16687","10.1039/D2RA03031D","","","0.71073","MoKα","","0.0616","0.0443","","","0.1324","0.1451","","","","","","1.07","","","","has coordinates","275850","2022-06-07","01:21:02",""
"7245035","30.947","0.002","30.947","0.002","6.2208","0.0007","90","","90","","120","","5159.6","0.7","90","","90","","","","","","","","","3","P 64","P 64","172","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C180 H312 O24 -","12","2","","Ota, Koichiro; Watanabe, Taiki; Igarashi, Shuntaro; Okazaki, Shinnosuke; Kamaike, Kazuo; Miyaoka, Hiroaki","Total syntheses of ent-hypocoprin A and ent-hypocoprin B","RSC Advances","2022","12","26","16576","16580","10.1039/D2RA02891C","","x-ray","0.71073","MoKα","K-L~3~","0.109","0.1075","","","0.2873","0.2889","","","","","","1.063","","","","has coordinates","275851","2022-06-07","01:21:32",""
"7245036","10.6128","0.0003","9.0112","0.0003","22.7652","0.0007","90","","95.487","0.003","90","","2167.15","0.12","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","1","","Wang, Xiaohong; You, Fengzhi; Xiong, Baojian; Chen, Lei; Zhang, Xuemei; Lian, Zhong","Metal- and base-free tandem sulfonylation/cyclization of 1,5-dienes with aryldiazonium salts via the insertion of sulfur dioxide","RSC Advances","2022","12","26","16745","16750","10.1039/D2RA03034A","","x-ray","0.71073","MoKα","","0.0766","0.0488","","","0.1115","0.1277","","","","","","1.036","","","","has coordinates","275852","2022-06-07","01:21:57",""
"7245037","11.3529","0.0009","13.0942","0.0011","13.9528","0.0012","63.486","0.005","77.327","0.006","78.923","0.006","1800.2","0.3","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H38 O4 -","- C47 H38 O4 -","- C94 H76 O8 -","2","1","","Lin, Yang; Yu, Ao; Wang, Jinjing; Kong, Derui; Liu, Hongtao; Li, Jianwei; Jia, Chunman","A curcumin-based AIEE-active fluorescent probe for Cu2+ detection in aqueous solution","RSC Advances","2022","12","26","16772","16778","10.1039/D2RA02595G","","","1.54178","CuKα","","0.0876","0.077","","","0.2143","0.2316","","","","","","1.094","","","","has coordinates","275853","2022-06-07","01:22:19",""
"7245056","5.3315","0.0006","7.7796","0.0008","12.4238","0.0014","72.694","0.006","78.711","0.005","89.961","0.005","481.54","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","cp2","","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","1","","Yang, Zihui; Zhou, Haoyi; Wang, Lin; Zhang, Jingxuan; Xie, Hongqi; Liu, Yisong; Zeng, Jianguo; Cheng, Pi","Visible-light-promoted and chlorophyll-catalyzed aerobic desulfurization of thioamides to amides","RSC Advances","2022","12","27","17190","17193","10.1039/D2RA01930B","","","1.54178","CuKα","","0.1245","0.1139","","","0.37","0.395","","","","","","1.833","","","","has coordinates,has disorder","275953","2022-06-10","01:18:46",""
"7245057","13.6684","0.0008","9.1256","0.0004","14.0839","0.0008","90","","111.168","0.007","90","","1638.18","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl2 N2 O2 S -","- C16 H12 Cl2 N2 O2 S -","- C64 H48 Cl8 N8 O8 S4 -","4","1","","Khalid, Aqsa; Arshad, Nasima; Channar, Pervaiz Ali; Saeed, Aamer; Mir, Muhammad Ismail; Abbas, Qamar; Ejaz, Syeda Abida; Hökelek, Tuncer; Saeed, Amna; Tehzeeb, Arfa","Structure and surface analyses of a newly synthesized acyl thiourea derivative along with its in silico and in vitro investigations for RNR, DNA binding, urease inhibition and radical scavenging activities","RSC Advances","2022","12","27","17194","17207","10.1039/D2RA03160D","","x-ray","1.54184","CuKα","","0.0478","0.0427","","","0.1159","0.1215","","","","","","1.059","","","","has coordinates","275967","2022-06-11","01:05:28",""
"7245071","12.1477","0.0018","7.4576","0.0008","13.8322","0.0019","90","","114.653","0.018","90","","1138.9","0.3","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 N6 O10 -","- C22 H18 N6 O10 -","- C44 H36 N12 O20 -","2","0.5","","Ramesh, Deepthi; Mohanty, Amaresh Kumar; De, Anirban; Vijayakumar, Balaji Gowrivel; Sethumadhavan, Aiswarya; Muthuvel, Suresh Kumar; Mani, Maheswaran; Kannan, Tharanikkarasu","Uracil derivatives as HIV-1 capsid protein inhibitors: design, in silico, in vitro and cytotoxicity studies","RSC Advances","2022","12","27","17466","17480","10.1039/D2RA02450K","","","0.71073","MoKα","","0.0753","0.0537","","","0.16","0.1805","","","","","","1.0715","","","","has coordinates","276015","2022-06-14","01:17:24",""
"7245075","5.15545","0.00011","11.604","0.0002","25.9405","0.0005","90","","90","","90","","1551.86","0.05","117.65","0.1","117.65","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Cl O5 -","- C20 H13 Cl O5 -","- C80 H52 Cl4 O20 -","4","1","","Xu, Leichuan; Ma, Haoyun; An, Xinkun; Li, Yihao; Zhang, Qian; Liu, Xinlei; Wang, Mingan","Total synthesis, structure revision and cytotoxic activity of Sch 53825 and its derivatives","RSC Advances","2022","12","27","17629","17636","10.1039/D2RA02898K","","x-ray","1.54184","CuKα","","0.0386","0.0369","","","0.0942","0.0962","","","","","","1.03","","","","has coordinates","276035","2022-06-15","01:08:47",""
"7245077","8.7172","0.0017","13.818","0.003","14.386","0.003","81.029","0.002","73.073","0.002","89.881","0.002","1635.8","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H74 Cl8 Cu4 N18 O3 -","- C51 H74 Cl8 Cu4 N18 O3 -","- C51 H74 Cl8 Cu4 N18 O3 -","1","0.5","","Draoui, Youssef; Radi, Smaail; Tanan, Amine; Oulmidi, Afaf; Miras, Haralampos N.; Benabbes, Redouane; Ouahhoudo, Sabir; Mamri, Samira; Rotaru, Aurelian; Garcia, Yann","Novel family of bis-pyrazole coordination complexes as potent antibacterial and antifungal agents","RSC Advances","2022","12","28","17755","17764","10.1039/D2RA03414J","","","0.71073","MoKα","","0.029","0.0256","","","0.0669","0.069","","","","","","1.047","","","","has coordinates,has disorder","276066","2022-06-16","01:22:18",""
"7245078","11.817","0.004","21.125","0.007","14.003","0.005","90","","111.244","0.005","90","","3258.1","1.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Fe N11 S2 -","- C27 H37 Fe N11 S2 -","- C108 H148 Fe4 N44 S8 -","4","1","","Draoui, Youssef; Radi, Smaail; Tanan, Amine; Oulmidi, Afaf; Miras, Haralampos N.; Benabbes, Redouane; Ouahhoudo, Sabir; Mamri, Samira; Rotaru, Aurelian; Garcia, Yann","Novel family of bis-pyrazole coordination complexes as potent antibacterial and antifungal agents","RSC Advances","2022","12","28","17755","17764","10.1039/D2RA03414J","","","0.71073","MoKα","","0.0768","0.0448","","","0.1033","0.1171","","","","","","1.034","","","","has coordinates","276066","2022-06-16","01:22:19",""
"7245079","10.909","0.002","21.821","0.005","14.531","0.003","90","","98.616","0.003","90","","3420","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cl2 N9 Ni O10 -","- C26 H42 Cl2 N9 Ni O10 -","- C104 H168 Cl8 N36 Ni4 O40 -","4","1","","Draoui, Youssef; Radi, Smaail; Tanan, Amine; Oulmidi, Afaf; Miras, Haralampos N.; Benabbes, Redouane; Ouahhoudo, Sabir; Mamri, Samira; Rotaru, Aurelian; Garcia, Yann","Novel family of bis-pyrazole coordination complexes as potent antibacterial and antifungal agents","RSC Advances","2022","12","28","17755","17764","10.1039/D2RA03414J","","","0.71073","MoKα","","0.0524","0.0449","","","0.1191","0.1261","","","","","","1.022","","","","has coordinates,has disorder","276066","2022-06-16","01:22:19",""
"7245080","10.9","0.003","21.782","0.005","14.48","0.003","90","","98.704","0.003","90","","3398.3","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 Cl2 Co N9 O10 -","- C26 H43 Cl2 Co N9 O10 -","- C104 H172 Cl8 Co4 N36 O40 -","4","1","","Draoui, Youssef; Radi, Smaail; Tanan, Amine; Oulmidi, Afaf; Miras, Haralampos N.; Benabbes, Redouane; Ouahhoudo, Sabir; Mamri, Samira; Rotaru, Aurelian; Garcia, Yann","Novel family of bis-pyrazole coordination complexes as potent antibacterial and antifungal agents","RSC Advances","2022","12","28","17755","17764","10.1039/D2RA03414J","","","0.71073","MoKα","","0.0671","0.0495","","","0.128","0.1406","","","","","","1.042","","","","has coordinates,has disorder","276066","2022-06-16","01:22:19",""
"7245084","21.6778","0.0004","21.6778","0.0004","7.4426","0.0002","90","","90","","90","","3497.48","0.13","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C88 H52 Cl4 Mn2 N16 P -","- C88 H52 Cl4 Mn2 N16 P -","- C176 H104 Cl8 Mn4 N32 P2 -","2","0.25","","Mine, Kosuke; Yamaguchi, Masayuki; Murakawa, Hiroshi; Hanasaki, Noriaki; Matsuda, Masaki","A large negative magnetoresistance effect in semiconducting crystals composed of an octahedrally ligated phthalocyanine complex with high-spin manganese(iii)","RSC Advances","2022","12","28","17944","17949","10.1039/D2RA00188H","","x-ray","0.71073","MoKα","","0.0715","0.042","","","0.1213","0.1402","","","","","","0.931","","","","has coordinates","276089","2022-06-18","01:09:26",""
"7245127","6.1119","0.0017","12.856","0.003","13.503","0.002","74.018","0.01","83.479","0.015","76.619","0.015","990.9","0.4","296","2","296","2","","","","","","","NIL","5","P -1","-P 1","2","","5-(4-chlorophenyl)-2,4-dimethoxy-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C21 H22 Cl N3 O3 -","- C21 H22 Cl N3 O3 -","- C42 H44 Cl2 N6 O6 -","2","1","","Patel, Subham G.; Vala, Ruturajsinh M.; Patel, Paras J.; Upadhyay, Dipti B.; Ramkumar, V.; Gardas, Ramesh L.; Patel, Hitendra M.","Synthesis, crystal structure and in silico studies of novel 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","29","18806","18820","10.1039/D2RA02694E","","","0.71073","MoKα","","0.1141","0.0636","","","0.1659","0.2058","","","","","","1.083","","","","has coordinates","276424","2022-06-30","01:22:12",""
"7245128","12.5837","0.0013","13.0752","0.0017","13.0356","0.0016","90","","110.844","0.005","90","","2004.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dimethoxy-5-(3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","","Patel, Subham G.; Vala, Ruturajsinh M.; Patel, Paras J.; Upadhyay, Dipti B.; Ramkumar, V.; Gardas, Ramesh L.; Patel, Hitendra M.","Synthesis, crystal structure and in silico studies of novel 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","29","18806","18820","10.1039/D2RA02694E","","","0.71073","MoKα","","0.0742","0.0429","","","0.0985","0.116","","","","","","1.029","","","","has coordinates","276424","2022-06-30","01:22:12",""
"7245129","12.2403","0.0006","13.3075","0.0007","12.8408","0.0007","90","","109.168","0.002","90","","1975.65","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(3-chlorophenyl)-2,4-dimethoxy-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C21 H22 Cl N3 O3 -","- C21 H22 Cl N3 O3 -","- C84 H88 Cl4 N12 O12 -","4","1","","Patel, Subham G.; Vala, Ruturajsinh M.; Patel, Paras J.; Upadhyay, Dipti B.; Ramkumar, V.; Gardas, Ramesh L.; Patel, Hitendra M.","Synthesis, crystal structure and in silico studies of novel 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","29","18806","18820","10.1039/D2RA02694E","","","0.71073","MoKα","","0.0606","0.0409","","","0.0965","0.1089","","","","","","1.015","","","","has coordinates","276424","2022-06-30","01:22:12",""
"7245130","11.3367","0.0006","13.5799","0.0007","13.0546","0.0006","90","","108.872","0.002","90","","1901.73","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-dimethoxy-8,8-dimethyl-5-phenyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C84 H92 N12 O12 -","4","1","","Patel, Subham G.; Vala, Ruturajsinh M.; Patel, Paras J.; Upadhyay, Dipti B.; Ramkumar, V.; Gardas, Ramesh L.; Patel, Hitendra M.","Synthesis, crystal structure and in silico studies of novel 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","29","18806","18820","10.1039/D2RA02694E","","","0.71073","MoKα","","0.0545","0.0389","","","0.1058","0.1134","","","","","","1.556","","","","has coordinates","276424","2022-06-30","01:22:13",""
"7245148","13.8828","0.0003","20.9103","0.0005","30.2321","0.0007","84.678","0.001","86.015","0.001","84.537","0.001","8682.4","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C206 H62 N4 O8 -","- C206 H62 N4 O8 -","- C618 H186 N12 O24 -","3","1.5","","Wakahara, Takatsugu; Nagaoka, Kahori; Hirata, Chika; Miyazawa, Kun'ichi; Fujii, Kazuko; Matsushita, Yoshitaka; Ito, Osamu; Takagi, Makito; Shimazaki, Tomomi; Tachikawa, Masanori; Wada, Yoshiki; Yagyu, Shinjiro; Liu, Yubin; Nakajima, Yoshiyuki; Tsukagoshi, Kazuhito","Fullerene C70/porphyrin hybrid nanoarchitectures: single-cocrystal nanoribbons with ambipolar charge transport properties","RSC Advances","2022","12","30","19548","19553","10.1039/D2RA02669D","","","0.71073","MoKα","","0.0646","0.0554","","","0.1427","0.1513","","","","","","1.038","","","","has coordinates","276723","2022-07-07","01:20:29",""
"7245202","7.2224","0.0006","7.6112","0.0006","23.3315","0.0018","90","","91.93","0.002","90","","1281.83","0.18","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl4 Cu N2 -","- C6 H18 Cl4 Cu N2 -","- C24 H72 Cl16 Cu4 N8 -","4","1","","Choi, Moon Young; Lee, Seon Ju; Ju, Huiyeong; Lim, Ae Ran","Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH3(CH2)6NH3]CuCl4 crystals","RSC Advances","2022","12","32","20679","20685","10.1039/D2RA02975H","","","0.71073","MoKα","","0.0793","0.051","","","0.1214","0.1407","","","","","","1.071","","","","has coordinates","276881","2022-07-23","03:09:42",""
"7245203","8.7875","0.0005","8.8129","0.0005","11.7354","0.0006","93.835","0.002","111.598","0.002","96.227","0.002","834.41","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N3 O4 S -","- C17 H17 N3 O4 S -","- C34 H34 N6 O8 S2 -","2","1","","Zhou, Zitong; Luo, Danyang; Li, Guanrong; Yang, Zhongtao; Cui, Liao; Yang, Weiguang","Copper-catalyzed three-component reaction to synthesize polysubstituted imidazo[1,2-a]pyridines","RSC Advances","2022","12","31","20199","20205","10.1039/D2RA02722D","","","0.71073","MoKα","","0.0481","0.0388","","","0.1068","0.1133","","","","","","1.046","","","","has coordinates","276882","2022-07-23","03:10:06",""
"7245204","4.8798","0.0003","17.8602","0.0009","15.7045","0.0008","90","","90.206","0.003","90","","1368.7","0.13","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N2 O -","- C15 H17 Cl N2 O -","- C60 H68 Cl4 N8 O4 -","4","1","","Slavchev, Ivaylo; Ward, Jas. S.; Rissanen, Kari; Dobrikov, Georgi M.; Simeonov, Svilen","Base-promoted direct amidation of esters: beyond the current scope and practical applications","RSC Advances","2022","12","32","20555","20562","10.1039/D2RA03524C","","","0.71073","MoKα","","0.1287","0.0712","","","0.1286","0.151","","","","","","1.027","","","","has coordinates","276883","2022-07-23","03:10:53",""
"7245205","8.7084","0.0003","10.204","0.0005","19.0448","0.0007","90","","92.691","0.004","90","","1690.46","0.12","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Slavchev, Ivaylo; Ward, Jas. S.; Rissanen, Kari; Dobrikov, Georgi M.; Simeonov, Svilen","Base-promoted direct amidation of esters: beyond the current scope and practical applications","RSC Advances","2022","12","32","20555","20562","10.1039/D2RA03524C","","x-ray","1.54184","CuKα","","0.0562","0.0431","","","0.1071","0.1178","","","","","","1.028","","","","has coordinates","276883","2022-07-23","03:10:54",""
"7245206","10.1008","0.0011","23.219","0.003","10.2424","0.0009","90","","108.434","0.004","90","","2278.9","0.4","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","","Yin, Haiting; Wu, Yunjun; Gu, Xiaoxia; Feng, Zhijun; Wang, Meifang; Feng, Dexiang; Wang, Ming; Cheng, Ziyang; Wang, Shaoyin","Synthesis of pyrano[3,2-c]quinolones and furo[3,2-c]quinolones via acid-catalyzed tandem reaction of 4-hydroxy-1-methylquinolin-2(1H)-one and propargylic alcohols","RSC Advances","2022","12","33","21066","21078","10.1039/D2RA03416F","","","0.71073","MoKα","","0.0744","0.0466","","","0.1111","0.1252","","","","","","1.024","","","","has coordinates","276884","2022-07-23","03:11:57",""
"7245207","7.341","0.0014","15.791","0.003","17.132","0.004","90","","94.737","0.007","90","","1979.2","0.7","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Cl N O2 -","- C25 H18 Cl N O2 -","- C100 H72 Cl4 N4 O8 -","4","1","","Yin, Haiting; Wu, Yunjun; Gu, Xiaoxia; Feng, Zhijun; Wang, Meifang; Feng, Dexiang; Wang, Ming; Cheng, Ziyang; Wang, Shaoyin","Synthesis of pyrano[3,2-c]quinolones and furo[3,2-c]quinolones via acid-catalyzed tandem reaction of 4-hydroxy-1-methylquinolin-2(1H)-one and propargylic alcohols","RSC Advances","2022","12","33","21066","21078","10.1039/D2RA03416F","","x-ray","0.71073","MoKα","","0.1381","0.068","","","0.1674","0.2056","","","","","","1.026","","","","has coordinates","276884","2022-07-23","03:12:08",""
"7245208","9.696","0.003","12.279","0.004","13.367","0.004","69.289","0.003","74.425","0.003","68.877","0.003","1370.3","0.7","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 N O -","- C39 H27 N O -","- C78 H54 N2 O2 -","2","1","","Yin, Haiting; Wu, Yunjun; Gu, Xiaoxia; Feng, Zhijun; Wang, Meifang; Feng, Dexiang; Wang, Ming; Cheng, Ziyang; Wang, Shaoyin","Synthesis of pyrano[3,2-c]quinolones and furo[3,2-c]quinolones via acid-catalyzed tandem reaction of 4-hydroxy-1-methylquinolin-2(1H)-one and propargylic alcohols","RSC Advances","2022","12","33","21066","21078","10.1039/D2RA03416F","","","0.71073","MoKα","","0.0535","0.0442","","","0.1215","0.1282","","","","","","1.071","","","","has coordinates","276884","2022-07-23","03:12:08",""
"7245209","12.978","0.006","13.234","0.006","13.515","0.006","72.58","0.015","78.27","0.015","74.539","0.015","2115.3","1.7","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H45 N O3 -","- C55 H45 N O3 -","- C110 H90 N2 O6 -","2","1","","Yin, Haiting; Wu, Yunjun; Gu, Xiaoxia; Feng, Zhijun; Wang, Meifang; Feng, Dexiang; Wang, Ming; Cheng, Ziyang; Wang, Shaoyin","Synthesis of pyrano[3,2-c]quinolones and furo[3,2-c]quinolones via acid-catalyzed tandem reaction of 4-hydroxy-1-methylquinolin-2(1H)-one and propargylic alcohols","RSC Advances","2022","12","33","21066","21078","10.1039/D2RA03416F","","","0.71073","MoKα","","0.1123","0.0511","","","0.1144","0.1416","","","","","","1.006","","","","has coordinates","276884","2022-07-23","03:12:08",""
"7245210","8.912","0.002","6.7346","0.0016","22.581","0.006","90","","96.102","0.014","90","","1347.6","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Mehreen, Saba; Zia, Mehwash; Khan, Ajmal; Hussain, Javid; Ullah, Saeed; Anwar, Muhammad U.; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam","Phenoxy pendant isatins as potent α-glucosidase inhibitors: reciprocal carbonyl⋯carbonyl interactions, antiparallel π⋯π stacking driven solid state self-assembly and biological evaluation","RSC Advances","2022","12","32","20919","20928","10.1039/D2RA03307K","","","0.71073","MoKα","","0.1189","0.0819","","","0.1912","0.212","","","","","","1.117","","","","has coordinates","276885","2022-07-23","03:13:05",""
"7245211","8.324","0.01","8.326","0.01","12.233","0.016","92.36","0.05","106.63","0.04","116.57","0.04","712.3","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Cl F N O3 -","- C16 H11 Cl F N O3 -","- C32 H22 Cl2 F2 N2 O6 -","2","1","","Mehreen, Saba; Zia, Mehwash; Khan, Ajmal; Hussain, Javid; Ullah, Saeed; Anwar, Muhammad U.; Al-Harrasi, Ahmed; Naseer, Muhammad Moazzam","Phenoxy pendant isatins as potent α-glucosidase inhibitors: reciprocal carbonyl⋯carbonyl interactions, antiparallel π⋯π stacking driven solid state self-assembly and biological evaluation","RSC Advances","2022","12","32","20919","20928","10.1039/D2RA03307K","","","0.71073","MoKα","","0.0979","0.0457","","","0.1009","0.1211","","","","","","1.028","","","","has coordinates","276885","2022-07-23","03:13:08",""
"7245212","8.0569","0.0002","36.1507","0.0007","8.9337","0.0002","90","","90.44","0.002","90","","2601.98","0.1","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C102 H102 N24 O25 -","- C102 H102 N24 O25 -","- C102 H102 N24 O25 -","1","0.25","","Liao, Lieqiang; Liu, Ruidong; Hu, Shuwen; Jiang, Wenting; Chen, Yali; Zhong, Jinlian; Jia, Xinjian; Liu, Huijin; Luo, Xuzhong","Self-assembled sonogels formed from 1,4-naphthalenedicarbonyldinicotinic acid hydrazide","RSC Advances","2022","12","31","20218","20226","10.1039/D2RA01391F","","x-ray","1.54178","CuKα","","0.1123","0.1023","","","0.2832","0.2949","","","","","","1.05","","","","has coordinates","276886","2022-07-23","03:13:29",""
"7245213","24.5506","0.0014","14.4941","0.0004","24.966","0.0013","90","","125.773","0.008","90","","7207.8","0.9","296","2","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.66667 H21 Cl N2 O3.33333 -","- C28.6667 H21 Cl N2 O3.33333 -","- C344 H252 Cl12 N24 O40 -","12","3","","Zhong, Jialing; Pan, Rihuang; Lin, Xufeng","Enantioselective synthesis of α-tetrasubstituted (3-indolizinyl) (diaryl)methanamines via chiral phosphoric acid catalysis","RSC Advances","2022","12","32","20499","20506","10.1039/D2RA03750E","","","0.71073","MoKα","","0.0951","0.0516","","","0.1104","0.1289","","","","","","1.008","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7245244","17.5657","0.0006","17.8718","0.0006","24.6678","0.0007","83.624","0.003","78.593","0.003","66.807","0.003","6972.8","0.4","98","4","98","4","","","","","","","","8","P -1","-P 1","2","","","","- C128 H184 Dy2 F2 Na8 O154.65 P2 W22 -","- C128 H184 Dy2 F Na8 O151.5 P2 W22 -","- C128 H184 Dy2 F Na8 O151.5 P2 W22 -","1","0.5","","Wu, Dong-Fang; Takahashi, Kiyonori; Fujibayashi, Masaru; Tsuchiya, Naoto; Cosquer, Goulven; Huang, Rui-Kang; Xue, Chen; Nishihara, Sadafumi; Nakamura, Takayoshi","Fluoride-bridged dinuclear dysprosium complex showing single-molecule magnetic behavior: supramolecular approach to isolate magnetic molecules","RSC Advances","2022","12","33","21280","21286","10.1039/D2RA04119G","","x-ray","1.54184","CuKα","","0.1056","0.0824","","","0.246","0.2705","","","","","","1.034","","","","has coordinates,has disorder","277051","2022-08-03","01:15:33",""
"7245268","7.3602","0.0003","6.965","0.0003","50.466","0.002","90","","90","","90","","2587.08","0.18","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 N O -","- C10.9091 H13.8182 N0.727273 O0.727273 -","- C120 H152 N8 O8 -","11","1.375","","Yamada, Takahiro; Hashimoto, Yoshimitsu; Tanaka, Kosaku; Morita, Nobuyoshi; Tamura, Osamu","Cationic palladium(ii)-catalyzed synthesis of substituted pyridines from α,β-unsaturated oxime ethers","RSC Advances","2022","12","33","21548","21557","10.1039/D2RA03875G","","x-ray","1.54184","CuKα","","0.048","0.0449","","","0.1226","0.1248","","","","","","1.096","","","","has coordinates","277076","2022-08-05","01:05:09",""
"7245269","17.3111","0.0006","17.9541","0.001","30.2138","0.0014","90","","96.76","0.004","90","","9325.3","0.8","95","2","95","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H33 Cl4 Er3 O25.47 -","- C24 H33 Cl4 Er3 O25.47 -","- C192 H264 Cl32 Er24 O203.76 -","8","1","","Gebrezgiabher, Mamo; Schlittenhardt, Sören; Rajnák, Cyril; Kuchár, Juraj; Sergawie, Assefa; Černák, Juraj; Ruben, Mario; Thomas, Madhu; Boča, Roman","Triangulo-{ErIII3} complex showing field supported slow magnetic relaxation","RSC Advances","2022","12","33","21674","21680","10.1039/D2RA04328A","","","0.71073","MoKα","","0.0388","0.0302","","","0.068","0.0713","","","","","","1.076","","","","has coordinates,has disorder","277077","2022-08-05","01:05:44",""
"7245287","15.047","0.004","8.2362","0.0019","26.661","0.006","90","","104.502","0.003","90","","3198.8","1.3","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H70 O12 -","- C74 H70 O12 -","- C148 H140 O24 -","2","0.5","","Hou, Ying; Duan, Yin-Rong; Ding, Man-Hua; Tang, Lin-Li; Zeng, Fei","Adsorptive separation of para-xylene by nonporous adaptive crystals of phenanthrene[2]arene","RSC Advances","2022","12","34","22060","22063","10.1039/D2RA03773D","","x-ray","0.71073","MoKα","","0.0899","0.0627","","","0.1826","0.2054","","","","","","1.059","","","","has coordinates,has disorder","277182","2022-08-10","01:04:46",""
"7245288","13.879","0.005","12.427","0.004","19.765","0.007","90","","93.893","0.005","90","","3401","2","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C82 H80 O12 -","- C82 H80 O12 -","- C164 H160 O24 -","2","0.5","","Hou, Ying; Duan, Yin-Rong; Ding, Man-Hua; Tang, Lin-Li; Zeng, Fei","Adsorptive separation of para-xylene by nonporous adaptive crystals of phenanthrene[2]arene","RSC Advances","2022","12","34","22060","22063","10.1039/D2RA03773D","","","0.71073","MoKα","","0.163","0.0691","","","0.1704","0.2268","","","","","","1.008","","","","has coordinates","277182","2022-08-10","01:04:46",""
"7245330","8.2798","0.0009","26.236","0.003","10.1171","0.0011","90","","106.733","0.0016","90","","2104.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F6 Fe N2 O4 -","- C16 H24 F5.9988 Fe N2 O4 -","- C64 H96 F23.9952 Fe4 N8 O16 -","4","1","","Stienen, Christian; Grahl, Julian; Wölper, Christoph; Schulz, Stephan; Bendt, Georg","Fluorinated β-diketonate complexes M(tfac)2(TMEDA) (M = Fe, Ni, Cu, Zn) as precursors for the MOCVD growth of metal and metal oxide thin films","RSC Advances","2022","12","35","22974","22983","10.1039/D2RA01338J","","","0.71073","MoKα","","0.0605","0.0416","","","0.0866","0.0931","","","","","","1.075","","","","has coordinates,has disorder","277273","2022-08-17","01:04:40",""
"7245331","8.323","0.019","20.79","0.05","13.03","0.03","90","","90.27","0.04","90","","2255","9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F6 N2 O4 Zn -","- C16 H24 F6 N2 O4 Zn -","- C64 H96 F24 N8 O16 Zn4 -","4","1","","Stienen, Christian; Grahl, Julian; Wölper, Christoph; Schulz, Stephan; Bendt, Georg","Fluorinated β-diketonate complexes M(tfac)2(TMEDA) (M = Fe, Ni, Cu, Zn) as precursors for the MOCVD growth of metal and metal oxide thin films","RSC Advances","2022","12","35","22974","22983","10.1039/D2RA01338J","","","0.71073","MoKα","","0.0739","0.0538","","","0.1364","0.1459","","","","","","1.09","","","","has coordinates,has disorder","277273","2022-08-17","01:04:41",""
"7245332","9.7772","0.001","15.3822","0.0016","14.6761","0.0015","90","","108.441","0.0016","90","","2093.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu F6 N2 O4 -","- C16 H24 Cu F6.003 N2 O4 -","- C64 H96 Cu4 F24.012 N8 O16 -","4","1","","Stienen, Christian; Grahl, Julian; Wölper, Christoph; Schulz, Stephan; Bendt, Georg","Fluorinated β-diketonate complexes M(tfac)2(TMEDA) (M = Fe, Ni, Cu, Zn) as precursors for the MOCVD growth of metal and metal oxide thin films","RSC Advances","2022","12","35","22974","22983","10.1039/D2RA01338J","","","0.71073","MoKα","","0.0448","0.0291","","","0.0696","0.0782","","","","","","1.053","","","","has coordinates,has disorder","277273","2022-08-17","01:04:41",""
"7245333","8.1121","0.0005","20.0344","0.0013","12.6691","0.0008","90","","91.0753","0.0015","90","","2058.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F6 N2 Ni O4 -","- C16.0001 H24 F6.0003 N2 Ni O4 -","- C64.0004 H96 F24.0012 N8 Ni4 O16 -","4","1","","Stienen, Christian; Grahl, Julian; Wölper, Christoph; Schulz, Stephan; Bendt, Georg","Fluorinated β-diketonate complexes M(tfac)2(TMEDA) (M = Fe, Ni, Cu, Zn) as precursors for the MOCVD growth of metal and metal oxide thin films","RSC Advances","2022","12","35","22974","22983","10.1039/D2RA01338J","","","0.71073","MoKα","","0.0286","0.0245","","","0.0642","0.0667","","","","","","1.046","","","","has coordinates,has disorder","277273","2022-08-17","01:04:41",""
"7245334","9.7672","0.0003","12.4444","0.0004","12.5674","0.0003","90","","90","","90","","1527.53","0.08","100","2","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","6-(4,4-dimethyl-2-oxazolin-2-yl)-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole","","- C13 H17 B F N O3 Si -","- C13 H17 B F N O3 Si -","- C52 H68 B4 F4 N4 O12 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0265","0.0252","","","0.0667","0.0677","","","","","","1.037","","","","has coordinates","277274","2022-08-17","01:07:00",""
"7245335","12.3262","0.0002","10.8908","0.0002","15.6822","0.0003","90","","102.68","0.002","90","","2053.87","0.07","100","2","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","6-(3,4,4-Trimethyl-2-oxazolinium-2-yl)-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole trifluoromethanesulfonate","","- C15 H20 B F4 N O6 S Si -","- C15 H20 B F4 N O6 S Si -","- C60 H80 B4 F16 N4 O24 S4 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.056","0.0548","","","0.1482","0.1496","","","","","","1.06","","","","has coordinates","277274","2022-08-17","01:07:01",""
"7245336","7.332","0.0002","10.4076","0.0002","14.5602","0.0004","100.665","0.002","100.149","0.002","91.918","0.002","1072.28","0.05","100","2","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","6-[2-methyl-2-(N-methylpyrazinamido)propoxycarbonyl]-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole","","- C19 H24 B F N3 O5.5 Si -","- C19 H24 B F N3 O5.5 Si -","- C38 H48 B2 F2 N6 O11 Si2 -","2","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0582","0.0525","","","0.1421","0.149","","","","","","1.052","","","","has coordinates","277274","2022-08-17","01:07:01",""
"7245337","15.9031","0.0003","6.9799","0.0001","20.0486","0.0004","90","","99.036","0.002","90","","2197.82","0.07","100","2","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","6-[2-methyl-2-(N-methylphenylsufonamido)propoxycarbonyl]-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole","","- C20 H25 B F N O6 S Si -","- C20 H25 B F N O6 S Si -","- C80 H100 B4 F4 N4 O24 S4 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0384","0.0334","","","0.0875","0.0927","","","","","","1.043","","","","has coordinates","277274","2022-08-17","01:07:01",""
"7245338","9.4868","0.0003","8.2232","0.0002","18.9873","0.0004","90","","98.992","0.002","90","","1463.03","0.07","100","2","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","8-fluoro-9-(hydroxydimethylsilyl)-3,3-dimethyl-2,3,5-trihydro-10l4-benzo[3,4][1,2]azaborolo[2,1-b][1,3,2]oxazaborol-10-ol","","- C13 H21 B F N O3 Si -","- C13 H21 B F N O3 Si -","- C52 H84 B4 F4 N4 O12 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0422","0.0391","","","0.1079","0.1112","","","","","","1.035","","","","has coordinates","277274","2022-08-17","01:07:01",""
"7245339","11.5789","0.0003","9.7201","0.0003","17.4568","0.0005","90","","91.799","0.003","90","","1963.76","0.1","100","2","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","10-(tert-butyl)-7-fluoro-3,3,8,8-tetramethyl-2,3-dihydro-4H,8H-1,9,11-trioxa-3a-aza-8-sila-10,11a,l4-diborabenzo[ij]cyclopenta[c]azulene","","- C17 H28 B2 F N O3 Si -","- C17 H28 B2 F N O3 Si -","- C68 H112 B8 F4 N4 O12 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0422","0.0358","","","0.0899","0.095","","","","","","0.975","","","","has coordinates","277274","2022-08-17","01:07:01",""
"7245340","8.8063","0.0008","9.3428","0.0007","12.2512","0.0011","76.873","0.007","86.633","0.007","82.552","0.007","972.9","0.15","100","2","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","4-(4,4-Dimethyl-2-oxazolin-2-yl)-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole trifluoromethanesulfonate","","- C14 H18 B F4 N O6 S Si -","- C14 H18 B F4 N O6 S Si -","- C28 H36 B2 F8 N2 O12 S2 Si2 -","2","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","0.71073","MoKα","","0.1043","0.0858","","","0.2664","0.2902","","","","","","1.057","","","","has coordinates","277274","2022-08-17","01:07:02",""
"7245341","11.7424","0.0003","11.9111","0.0002","12.6569","0.0003","90","","110.168","0.002","90","","1661.71","0.07","100","2","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","4-[2-Methyl-2-ammoniumpropoxycarbonyl]-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole chloride","","- C13 H22 B Cl F N O3 Si -","- C13 H22 B Cl F N O3 Si -","- C52 H88 B4 Cl4 F4 N4 O12 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0401","0.0363","","","0.095","0.0995","","","","","","1.07","","","","has coordinates","277274","2022-08-17","01:07:02",""
"7245342","10.1514","0.0002","11.8762","0.0003","16.5964","0.0003","106.057","0.002","90.992","0.002","114.642","0.002","1727.43","0.07","100","2","100","0.1","","","","","","","","7","P -1","-P 1","2","","5,12-Difluoro-2,9-bis((1-hydroxy-2-methylpropan-2-yl)iminio)-6,6,13,13-tetramethyl-2H,6H,9H,13H-1,7,8,14,15-pentaoxa-6,13-disila-7a,14a-dibora-7a,14a-methanocyclodeca[1,2,3-cd:6,7,8-cd]diindene-7a,14a-diuide","","- C29 H45 B2 F2 N2 O10 Si2 -","- C29 H45 B2 F2 N2 O10 Si2 -","- C58 H90 B4 F4 N4 O20 Si4 -","2","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0569","0.0545","","","0.1521","0.1546","","","","","","1.023","","","","has coordinates,has disorder","277274","2022-08-17","01:07:02",""
"7245351","7.6341","0.0004","7.7048","0.0004","9.5687","0.0004","95.38","0.002","108.445","0.002","110.266","0.002","487.61","0.04","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C20 H12 Cu F3 N3 O5 S -","- C20 H12 Cu F3 N3 O5 S -","- C20 H12 Cu F3 N3 O5 S -","1","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.022","0.0211","","","0.0494","0.0498","","","","","","1.057","","","","has coordinates","277301","2022-08-18","01:13:34",""
"7245352","10.1537","0.0014","13.52","0.0019","13.2892","0.0018","90","","100.416","0.002","90","","1794.3","0.4","168","2","168","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cl Cu F3 N2 O2 S -","- C14 H20 Cl Cu F3 N2 O2 S -","- C56 H80 Cl4 Cu4 F12 N8 O8 S4 -","4","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.0284","0.025","","","0.0689","0.0703","","","","","","1.061","","","","has coordinates","277301","2022-08-18","01:13:37",""
"7245353","27.42","0.07","27.513","0.018","10.435","0.007","90","","90","","90","","7872","2","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C18 H14 Cu F3 N3 O6 S -","- C18 H14 Cu F3 N3 O6 S -","- C288 H224 Cu16 F48 N48 O96 S16 -","16","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.0444","0.0362","","","0.0819","0.0855","","","","","","1.041","","","","has coordinates","277301","2022-08-18","01:13:37",""
"7245354","16.633","0.003","9.9312","0.0018","16.773","0.003","90","","108.801","0.002","90","","2622.8","0.8","168","2","168","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cu F6 N2 O4 S2 -","- C22 H24 Cu F6 N2 O4 S2 -","- C88 H96 Cu4 F24 N8 O16 S8 -","4","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.0355","0.0318","","","0.0908","0.0934","","","","","","1.116","","","","has coordinates,has disorder","277301","2022-08-18","01:13:37",""
"7245355","10.4518","0.0014","13.4241","0.0018","13.3035","0.0018","90","","96.356","0.002","90","","1855.1","0.4","168","2","168","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cu F3 N3 O5 S -","- C14 H20 Cu F3 N3 O5 S -","- C56 H80 Cu4 F12 N12 O20 S4 -","4","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.0349","0.0325","","","0.09","0.0918","","","","","","1.051","","","","has coordinates","277301","2022-08-18","01:13:37",""
"7245356","13.023","0.006","8.377","0.004","17.04","0.007","90","","106.899","0.013","90","","1778.7","1.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl Cu F3 N2 O2 S -","- C18 H12 Cl Cu F3 N2 O2 S -","- C72 H48 Cl4 Cu4 F12 N8 O8 S4 -","4","1","","Omoregie, Helen Oluwatola; Oloba-Whenu, Oluwakemi A.; Olowu, Olawale J.; Fasina, Tolulope M.; Friedrich, Alexandra; Haehnel, Martin; Marder, Todd B.","Mixed-ligand complexes of copper(ii) with thienoyltrifluoroacetonate and nitrogen containing ligands: synthesis, structures, antimicrobial activity, cytotoxicity, Hirshfeld surface analysis and DFT studies","RSC Advances","2022","12","36","23513","23526","10.1039/D2RA02428D","","","0.71073","MoKα","","0.0261","0.0249","","","0.0618","0.0629","","","","","","1.04","","","","has coordinates,has disorder","277301","2022-08-18","01:13:37",""
"7245382","9.9657","0.0016","14.3","0.002","9.0367","0.0014","90","","114.989","0.003","90","","1167.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","","Cheng, Zhenfeng; Gu, Qingyun; Xie, Yushan; Zhang, Yanan; Zeng, Xiaobao","BF3·Et2O-Mediated annulation of α-keto acids with aliphatic ketones for the synthesis of γ-hydroxy-butenolides and γ-alkylidene-butenolides","RSC Advances","2022","12","37","24237","24241","10.1039/D2RA04546J","","","0.71073","MoKα","","0.0625","0.0481","","","0.1217","0.1302","","","","","","1.049","","","","has coordinates","277407","2022-08-26","01:08:03",""
"7245383","9.978","0.0011","10.7417","0.0012","12.4901","0.0014","104.108","0.007","91.854","0.007","117.657","0.008","1133.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(1'R,2'S,3R)-2'-(benzo[d][1,3]dioxole-5-carbonyl)-1'-(3-fluorophenyl)-1',2',5',6',7',7a'-hexahydrospiro[indoline-3,3'-pyrrolizin]-2-one","","- C28 H23 F N2 O4 -","- C28 H23 F N2 O4 -","- C56 H46 F2 N4 O8 -","2","1","","Nivetha, Narayanasamy; Martiz, Reshma Mary; Patil, Shashank M.; Ramu, Ramith; Sreenivasa, Swamy; Velmathi, Sivan","Benzodioxole grafted spirooxindole pyrrolidinyl derivatives: synthesis, characterization, molecular docking and anti-diabetic activity","RSC Advances","2022","12","37","24192","24207","10.1039/D2RA04452H","","","0.71075","MoKα","","0.0618","0.052","","","0.1387","0.1498","","","","","","1.037","","","","has coordinates","277408","2022-08-26","01:08:31",""
"7245384","10.1937","0.0001","13.0886","0.0002","13.2854","0.0002","75.103","0.001","80.798","0.001","71.79","0.001","1621.06","0.04","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H43 N3 O7 U -","- C33 H43 N3 O7 U -","- C66 H86 N6 O14 U2 -","2","1","","Takeyama, Tomoyuki; Takao, Koichiro","Effects of coordinating heteroatoms on molecular structure, thermodynamic stability and redox behavior of uranyl(vi) complexes with pentadentate Schiff-base ligands","RSC Advances","2022","12","37","24260","24268","10.1039/D2RA04639C","","x-ray","0.71073","MoKα","","0.0349","0.0287","","","0.0656","0.0673","","","","","","1.029","","","","has coordinates","277420","2022-08-27","01:56:36",""
"7245385","16.3889","0.0014","18.8968","0.0009","10.3557","0.0006","90","","98.602","0.007","90","","3171.1","0.4","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H40 Cl2 N2 O6 S U -","- C29 H40 Cl2 N2 O6 S U -","- C116 H160 Cl8 N8 O24 S4 U4 -","4","1","","Takeyama, Tomoyuki; Takao, Koichiro","Effects of coordinating heteroatoms on molecular structure, thermodynamic stability and redox behavior of uranyl(vi) complexes with pentadentate Schiff-base ligands","RSC Advances","2022","12","37","24260","24268","10.1039/D2RA04639C","","x-ray","0.71073","MoKα","","0.1147","0.0662","","","0.1532","0.1746","","","","","","0.976","","","","has coordinates,has disorder","277420","2022-08-27","01:56:37",""
"7245386","9.9547","0.0002","29.1269","0.0005","11.6812","0.0002","90","","106.798","0.002","90","","3242.44","0.11","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Cl2 N3 O6 U -","- C29 H41 Cl2 N3 O6 U -","- C116 H164 Cl8 N12 O24 U4 -","4","1","","Takeyama, Tomoyuki; Takao, Koichiro","Effects of coordinating heteroatoms on molecular structure, thermodynamic stability and redox behavior of uranyl(vi) complexes with pentadentate Schiff-base ligands","RSC Advances","2022","12","37","24260","24268","10.1039/D2RA04639C","","x-ray","0.71073","MoKα","","0.051","0.0333","","","0.059","0.0624","","","","","","1.068","","","","has coordinates,has disorder","277420","2022-08-27","01:56:37",""
"7245402","20.6474","0.0005","8.3478","0.0002","11.4696","0.0003","90","","102.688","0.001","90","","1928.63","0.08","169","2","169","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 O -","- C21 H24 N4 O -","- C84 H96 N16 O4 -","4","1","","Mao, Zhenjun; Zeng, Hao","Gold-catalyzed synthesis of oxazoles from alkynyl triazenes and dioxazoles","RSC Advances","2022","12","38","24857","24860","10.1039/D2RA04559A","","","0.71073","MoKα","","0.0462","0.04","","","0.0967","0.1014","","","","","","1.025","","","","has coordinates","277530","2022-09-01","01:28:11",""
"7245403","6.42709","0.00019","8.2638","0.0002","30.7804","0.0011","90","","90","","90","","1634.81","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Zhang, Bing-Wen; Jiang, Li; Li, Zhuang; Gao, Xue-Hui; Cao, Fei; Lu, Xin-hua; Shen, Wen-Bin; Zhang, Xue-Xia; Kong, Fan-Dong; Luo, Du-Qiang","Carotane sesquiterpenoids A–G from the desert endophytic fungus Fusarium sp. HM 166","RSC Advances","2022","12","38","24590","24595","10.1039/D2RA02762C","","","1.54184","CuKα","","0.0444","0.0427","","","0.1116","0.1133","","","","","","1.038","","","","has coordinates","277531","2022-09-01","01:29:00",""
"7245404","39.0862","0.0013","9.1717","0.0003","18.6636","0.0006","90","","93.3599","0.0011","90","","6679.2","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 N4 P2 Ru -","- C40 H34 N4 P2 Ru -","- C320 H272 N32 P16 Ru8 -","8","1","","Chang, Chao-Wan; Lee, Chi-Rung; Lee, Gene-Hsiang; Lu, Kuang-Lieh","The straightforward synthesis of N-coordinated ruthenium 4-aryl-1,2,3-triazolato complexes by [3 + 2] cycloaddition reactions of a ruthenium azido complex with terminal phenylacetylenes and non-covalent aromatic interactions in structures","RSC Advances","2022","12","38","24830","24838","10.1039/D2RA04835C","","","0.71073","MoKα","","0.04","0.0297","","","0.063","0.0686","","","","","","1.058","","","","has coordinates","277532","2022-09-01","01:30:28",""
"7245405","11.5899","0.0003","11.8945","0.0003","12.2685","0.0003","87.7701","0.0008","77.0758","0.0006","84.2939","0.0007","1640.03","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H37 N3 P2 Ru -","- C40 H37 N3 P2 Ru -","- C80 H74 N6 P4 Ru2 -","2","1","","Chang, Chao-Wan; Lee, Chi-Rung; Lee, Gene-Hsiang; Lu, Kuang-Lieh","The straightforward synthesis of N-coordinated ruthenium 4-aryl-1,2,3-triazolato complexes by [3 + 2] cycloaddition reactions of a ruthenium azido complex with terminal phenylacetylenes and non-covalent aromatic interactions in structures","RSC Advances","2022","12","38","24830","24838","10.1039/D2RA04835C","","","0.71073","MoKα","","0.0338","0.029","","","0.0613","0.0635","","","","","","1.095","","","","has coordinates","277532","2022-09-01","01:30:29",""
"7245406","39.1531","0.0012","9.1339","0.0002","18.7253","0.0005","90","","94.289","0.0009","90","","6677.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H35 N3 O P2 Ru -","- C40 H35 N3 O P2 Ru -","- C320 H280 N24 O8 P16 Ru8 -","8","1","","Chang, Chao-Wan; Lee, Chi-Rung; Lee, Gene-Hsiang; Lu, Kuang-Lieh","The straightforward synthesis of N-coordinated ruthenium 4-aryl-1,2,3-triazolato complexes by [3 + 2] cycloaddition reactions of a ruthenium azido complex with terminal phenylacetylenes and non-covalent aromatic interactions in structures","RSC Advances","2022","12","38","24830","24838","10.1039/D2RA04835C","","","0.71073","MoKα","","0.0462","0.0332","","","0.0685","0.0758","","","","","","1.06","","","","has coordinates,has disorder","277532","2022-09-01","01:30:29",""
"7245407","9.0659","0.0002","37.8048","0.001","10.7826","0.0003","90","","97.1681","0.0007","90","","3666.69","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 Cl3 N3 P2 Ru -","- C40 H36 Cl3 N3 P2 Ru -","- C160 H144 Cl12 N12 P8 Ru4 -","4","1","","Chang, Chao-Wan; Lee, Chi-Rung; Lee, Gene-Hsiang; Lu, Kuang-Lieh","The straightforward synthesis of N-coordinated ruthenium 4-aryl-1,2,3-triazolato complexes by [3 + 2] cycloaddition reactions of a ruthenium azido complex with terminal phenylacetylenes and non-covalent aromatic interactions in structures","RSC Advances","2022","12","38","24830","24838","10.1039/D2RA04835C","","","0.71073","MoKα","","0.0574","0.0518","","","0.0938","0.0955","","","","","","1.231","","","","has coordinates,has disorder","277532","2022-09-01","01:30:30",""
"7245418","11.0837","0.0001","19.8086","0.0001","37.841","0.0003","89.003","0.001","84.914","0.001","83.414","0.001","8220.55","0.11","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C210 H156 F24 N6 -","- C210 H157 F24 N6 -","- C420 H314 F48 N12 -","2","1","","Zheng, Yuting; Jiang, Shu; Liu, Ming; Yu, Zhixin; Ma, Yanping; Solan, Gregory A.; Zhang, Wenjuan; Liang, Tongling; Sun, Wen-Hua","High molecular weight PE elastomers through 4,4-difluorobenzhydryl substitution in symmetrical α-diimino-nickel ethylene polymerization catalysts","RSC Advances","2022","12","37","24037","24049","10.1039/D2RA04321A","","x-ray","1.54184","CuKα","","0.1223","0.1097","","","0.2897","0.309","","","","","","1.281","","","","has coordinates","277572","2022-09-02","01:14:46",""
"7245419","10.8443","0.0004","36.4718","0.0012","16.354","0.0007","90","","106.635","0.004","90","","6197.5","0.4","169.99","0.12","169.99","0.12","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H60 Br2 F8 N2 Ni -","- C74 H60 Br2 F8 N2 Ni -","- C296 H240 Br8 F32 N8 Ni4 -","4","1","","Zheng, Yuting; Jiang, Shu; Liu, Ming; Yu, Zhixin; Ma, Yanping; Solan, Gregory A.; Zhang, Wenjuan; Liang, Tongling; Sun, Wen-Hua","High molecular weight PE elastomers through 4,4-difluorobenzhydryl substitution in symmetrical α-diimino-nickel ethylene polymerization catalysts","RSC Advances","2022","12","37","24037","24049","10.1039/D2RA04321A","","x-ray","1.54184","CuKα","","0.1634","0.1343","","","0.3939","0.4189","","","","","","0.998","","","","has coordinates","277572","2022-09-02","01:14:47",""
"7245420","15.1623","0.0012","15.6426","0.0009","18.6622","0.0009","78.343","0.004","78.089","0.005","78.104","0.006","4178.7","0.5","170","0.13","170","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C92 H81.01 Br4 F8 N4 Ni2 -","- C92 Br4 F8 N4 Ni2 -","- C184 Br8 F16 N8 Ni4 -","2","1","","Zheng, Yuting; Jiang, Shu; Liu, Ming; Yu, Zhixin; Ma, Yanping; Solan, Gregory A.; Zhang, Wenjuan; Liang, Tongling; Sun, Wen-Hua","High molecular weight PE elastomers through 4,4-difluorobenzhydryl substitution in symmetrical α-diimino-nickel ethylene polymerization catalysts","RSC Advances","2022","12","37","24037","24049","10.1039/D2RA04321A","","x-ray","1.54184","CuKα","","0.1802","0.1352","","","0.3446","0.3816","","","","","","1.344","","","","has coordinates,has disorder","277572","2022-09-02","01:14:47",""
"7245441","38.961","0.008","21.921","0.004","23.987","0.005","90","","116.69","0.03","90","","18304","8","243","2","243","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C216 H168 Cu3 F18 N24 O36 Si3 -","- C216 H168 Cu3 F18 N24 O36 Si3 -","- C432 H336 Cu6 F36 N48 O72 Si6 -","2","0.5","","Kim, Dongwon; Han, Jihun; Jung, Ok-Sang; Lee, Young-A.","Insight into systematic formation of hexafluorosilicate during crystallization via self-assembly in a glass vessel","RSC Advances","2022","12","39","25118","25122","10.1039/D2RA04270C","","","0.76","synchrotron","","0.1158","0.0412","","","0.0905","0.11","","","","","","0.786","","","","has coordinates,has disorder","277645","2022-09-06","01:19:15",""
"7245442","20.7131","0.0015","20.7131","0.0015","15.8554","0.0012","90","","90","","90","","6802.5","0.9","173","2","173","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C60 H54 Cl4 F6 N6 O13 Si Zn -","- C60 H54 Cl4 F6 N6 O13 Si Zn -","- C240 H216 Cl16 F24 N24 O52 Si4 Zn4 -","4","0.5","","Kim, Dongwon; Han, Jihun; Jung, Ok-Sang; Lee, Young-A.","Insight into systematic formation of hexafluorosilicate during crystallization via self-assembly in a glass vessel","RSC Advances","2022","12","39","25118","25122","10.1039/D2RA04270C","","","0.71073","MoKα","","0.0963","0.0633","","","0.1956","0.2327","","","","","","1.037","","","","has coordinates,has disorder","277645","2022-09-06","01:19:16",""
"7245443","16.6134","0.0006","5.5697","0.0002","9.1693","0.0004","90","","104.329","0.004","90","","822.06","0.06","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-bis(4-bromobenzyl)thio)ethane","","- C8 H8 Br S -","- C8 H8 Br S -","- C32 H32 Br4 S4 -","4","1","","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","One-pot thiol-free synthetic approach to sulfides, and sulfoxides selectively","RSC Advances","2022","12","39","25154","25162","10.1039/D2RA04872H","","x-ray","0.71073","MoKα","","0.0341","0.0264","","","0.0598","0.0631","","","","","","1.076","","","","has coordinates","277646","2022-09-06","01:19:55",""
"7245444","16.5752","0.0012","6.323","0.0006","9.1422","0.0008","90","","100.622","0.008","90","","941.73","0.14","304","0.1","304","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1,4-bis((4-bromobenzyl)thio)but-2-ene","","- C9 H9 Br S -","- C9 H9 Br S -","- C36 H36 Br4 S4 -","4","1","","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","One-pot thiol-free synthetic approach to sulfides, and sulfoxides selectively","RSC Advances","2022","12","39","25154","25162","10.1039/D2RA04872H","","x-ray","0.71073","MoKα","","0.0525","0.035","","","0.0716","0.08","","","","","","1.029","","","","has coordinates","277646","2022-09-06","01:20:00",""
"7245457","9.09482","0.00019","23.8546","0.0005","16.9383","0.0004","90","","103.492","0.002","90","","3573.4","0.14","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 F2 N8 O3 Ru -","- C30 H36 F2 N8 O3 Ru -","- C120 H144 F8 N32 O12 Ru4 -","4","1","","Toyama, Mari; Hasegawa, Tomoki; Nagao, Noriharu","Colorimetric fluoride detection in dimethyl sulfoxide using a heteroleptic ruthenium(ii) complex with amino and amide groups: X-ray crystallographic and spectroscopic analyses","RSC Advances","2022","12","39","25227","25239","10.1039/D2RA03593F","","","0.71073","MoKα","","0.0439","0.0322","","","0.0759","0.0807","","","","","","1.019","","","","has coordinates","277732","2022-09-08","01:22:41",""
"7245458","9.102","0.0002","10.5348","0.0003","17.402","0.0004","99.448","0.002","102.616","0.002","99.741","0.002","1569.4","0.07","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Cl2 N8 O3.5 Ru -","- C26 H24 Cl2 N8 O Ru -","- C52 H48 Cl4 N16 O2 Ru2 -","2","1","","Toyama, Mari; Hasegawa, Tomoki; Nagao, Noriharu","Colorimetric fluoride detection in dimethyl sulfoxide using a heteroleptic ruthenium(ii) complex with amino and amide groups: X-ray crystallographic and spectroscopic analyses","RSC Advances","2022","12","39","25227","25239","10.1039/D2RA03593F","","","1.54184","CuKα","","0.0832","0.0787","","","0.2069","0.2118","","","","","","1.055","","","","has coordinates","277732","2022-09-08","01:22:52",""
"7245468","11.1333","0.0012","6.7427","0.0008","12.2131","0.0013","90","","109.961","0.004","90","","861.74","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F N2 O3 -","- C9 H5 F N2 O3 -","- C36 H20 F4 N8 O12 -","4","1","","Zhang, Yan; Long, Zhiwu; Yan, Longjia; Liu, Li; Yang, Lan; Le, Yi","Discovery of 4-nitro-3-phenylisoxazole derivatives as potent antibacterial agents derived from the studies of [3 + 2] cycloaddition","RSC Advances","2022","12","39","25633","25638","10.1039/D2RA05009A","","","0.71073","MoKα","","0.1364","0.0758","","","0.1636","0.1877","","","","","","1.037","","","","has coordinates","277746","2022-09-09","01:14:02",""
"7245469","12.2689","0.0011","5.67","0.0005","12.1751","0.0012","90","","102.582","0.003","90","","826.62","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F N2 O3 -","- C9 H5 F N2 O3 -","- C36 H20 F4 N8 O12 -","4","1","","Zhang, Yan; Long, Zhiwu; Yan, Longjia; Liu, Li; Yang, Lan; Le, Yi","Discovery of 4-nitro-3-phenylisoxazole derivatives as potent antibacterial agents derived from the studies of [3 + 2] cycloaddition","RSC Advances","2022","12","39","25633","25638","10.1039/D2RA05009A","","","0.71073","MoKα","","0.094","0.0728","","","0.1405","0.1478","","","","","","1.092","","","","has coordinates","277746","2022-09-09","01:14:03",""
"7245470","18.358","0.0017","5.6716","0.0008","8.2983","0.0011","90","","93.85","0.002","90","","862.06","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H5 F N2 O3 -","- C9 H5 F N2 O3 -","- C36 H20 F4 N8 O12 -","4","1","","Zhang, Yan; Long, Zhiwu; Yan, Longjia; Liu, Li; Yang, Lan; Le, Yi","Discovery of 4-nitro-3-phenylisoxazole derivatives as potent antibacterial agents derived from the studies of [3 + 2] cycloaddition","RSC Advances","2022","12","39","25633","25638","10.1039/D2RA05009A","","","0.71073","MoKα","","0.1303","0.0869","","","0.2208","0.2481","","","","","","1.112","","","","has coordinates","277746","2022-09-09","01:14:03",""
"7245496","9.8199","0.0003","13.2654","0.0004","32.3207","0.0009","90","","90","","90","","4210.3","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H36 N2 Zr -","- C24 H36 N2 Zr -","- C192 H288 N16 Zr8 -","8","1","","Lindenau, Kevin; Spannenberg, Anke; Reiß, Fabian; Beweries, Torsten","Mono- and dinuclear zirconocene(iv) amide complexes for the catalytic dehydropolymerisation of phenylsilane","RSC Advances","2022","12","40","26277","26283","10.1039/D2RA04955D","","","0.71073","MoKα","","0.0362","0.0276","","","0.0661","0.0707","","","","","","1.049","","","","has coordinates","277911","2022-09-16","00:18:43",""
"7245497","11.0777","0.0003","12.1942","0.0004","44.1788","0.0014","90","","90","","90","","5967.8","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl N Zr -","- C22 H30 Cl N Zr -","- C264 H360 Cl12 N12 Zr12 -","12","3","","Lindenau, Kevin; Spannenberg, Anke; Reiß, Fabian; Beweries, Torsten","Mono- and dinuclear zirconocene(iv) amide complexes for the catalytic dehydropolymerisation of phenylsilane","RSC Advances","2022","12","40","26277","26283","10.1039/D2RA04955D","","","0.71073","MoKα","","0.0299","0.0283","","","0.0653","0.0661","","","","","","1.095","","","","has coordinates,has disorder","277911","2022-09-16","00:18:43",""
"7245504","15.914","0.0009","19.167","0.001","17.252","0.0009","90","0.0009","106.05","0.0009","90","0.0009","5057.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 Co2 I3 N6 O4 -","- C52 H42 Co2 I3 N6 O4 -","- C208 H168 Co8 I12 N24 O16 -","4","0.5","","To, Tung H.; Tran, Dang B.; Thi Thu Ha, Vu; Tran, Phong D.","Electrocatalytic H2 evolution using binuclear cobalt complexes as catalysts","RSC Advances","2022","12","40","26428","26434","10.1039/D2RA05109E","","","0.71073","MoKα","","0.0842","0.04","","0.1011","0.0941","","","","0.841","1.083","1.083","","","","","has coordinates","277974","2022-09-19","01:24:31",""
"7245505","9.101","","17.99","","5.259","","90","","90","","90","","861.04","","","","","","","","","","","","","6","P n m n","-P 2n 2n","58","","Manganese Iron Magnesium Silicon Oxide Hydroxide (1.44/4.48/1.08/8/22/2)","","- Fe4.48 H2 Mg1.08 Mn1.44 O24 Si8 -","- Fe7 Mg5 Mn2 O24 Si8 -","- Fe14 Mg10 Mn4 O48 Si16 -","2","0.25","","To, Tung H.; Tran, Dang B.; Thi Thu Ha, Vu; Tran, Phong D.","Electrocatalytic H2 evolution using binuclear cobalt complexes as catalysts","RSC Advances","2022","12","40","26428","26434","10.1039/D2RA05109E","","","","","","0.073","","","","","","","","","","","","","","","has coordinates","277974","2022-09-19","01:24:34",""
"7245506","11.2659","0.0001","25.5758","0.0001","11.4452","0.0001","90","","116.565","0.001","90","","2949.6","0.05","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H39 N3 O3 -","- C36 H39 N3 O3 -","- C144 H156 N12 O12 -","4","2","","Rakumitsu, Kenta; Fujii, Miho; Kusumoto, Sotaro; Kikkawa, Shoko; Azumaya, Isao; Yokoyama, Akihiro","Synthesis, crystal structure, and properties of methyl-substituted coronene amide analogue","RSC Advances","2022","12","40","26411","26417","10.1039/D2RA04035B","","","1.54184","CuKα","","0.0391","0.0383","","","0.1029","0.1035","","","","","","1.041","","","","has coordinates,has disorder","277975","2022-09-19","01:25:14",""
"7245518","8.919","0.0003","24.119","0.0008","16.1511","0.0005","90","","90","","90","","3474.4","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H16 Cl N O3 -","- C21 H16 Cl N O3 -","- C168 H128 Cl8 N8 O24 -","8","2","","Fang, Zeguo; Xie, Lin; Wang, Liang; Zhang, Qian; Li, Dong","Silver-catalyzed cascade cyclization and functionalization of N-aryl-4-pentenamides: an efficient route to γ-lactam-substituted quinone derivatives","RSC Advances","2022","12","41","26776","26780","10.1039/D2RA05283K","","x-ray","1.54184","CuKα","","0.0498","0.0425","","","0.1054","0.1124","","","","","","1.034","","","","has coordinates","278059","2022-09-22","01:08:13",""
"7245519","30.973","0.004","30.973","0.004","30.973","0.004","90","","90","","90","","29713","7","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C144 H110 Eu6 N6 O43 -","- C144 H110.002 Eu6 N6 O43 -","- C576 H440.01 Eu24 N24 O172 -","4","0.0208333","","Zhao, Yue; Wang, Chang-An; Li, Ji-Kun; Li, Qian-Li; Guo, Qiang; Ru, Jing; Ma, Chun-Lin; Han, Yin-Feng","A Eu(iii) metal–organic framework based on anthracenyl and alkynyl conjugation as a fluorescence probe for the selective monitoring of Fe3+ and TNP","RSC Advances","2022","12","41","26945","26952","10.1039/D2RA02892A","","","0.71073","MoKα","","0.0818","0.0692","","","0.2113","0.2235","","","","","","1.088","","","","has coordinates,has disorder","278060","2022-09-22","01:09:08",""
"7245520","8.79","0.005","9.963","0.005","10.845","0.005","88.953","0.005","89.952","0.005","73.603","0.005","911","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 F3 N2 O4 -","- C18 H21 F3 N2 O4 -","- C36 H42 F6 N4 O8 -","2","1","","Miaskiewicz, Solène; Weibel, Jean-Marc; Pale, Patrick; Blanc, Aurélien","A gold(i)-catalysed approach towards harmalidine an elusive alkaloid from Peganum harmala","RSC Advances","2022","12","41","26966","26974","10.1039/D2RA05685B","","x-ray","0.71069","MoKα","","0.0961","0.0704","","","0.2019","0.2326","","","","","","1.117","","","","has coordinates,has disorder","278061","2022-09-22","01:09:37",""
"7245521","8.738","0.006","14.001","0.01","8.854","0.006","90","","109.928","0.009","90","","1018.3","1.2","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","zk","","- C22 H18 Br N O5 -","- C22 H18 Br N O5 -","- C44 H36 Br2 N2 O10 -","2","1","","Wang, Jiao-Mei; Zhao, Yu; Yao, Chang-Sheng; Zhang, Kai","Stereoselective synthesis of C3-tetrasubstituted oxindoles via copper catalyzed asymmetric propargylation","RSC Advances","2022","12","41","26727","26732","10.1039/D2RA04603B","","","0.71073","MoKα","","0.0679","0.0473","","","0.1192","0.1297","","","","","","0.983","","","","has coordinates","278062","2022-09-22","01:10:18",""
"7245522","8.888","0.003","13.957","0.004","15.546","0.004","90","","90","","90","","1928.5","1","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","zk-2","","- C21 H18 Br N O3 -","- C21 H18 Br N O3 -","- C84 H72 Br4 N4 O12 -","4","1","","Wang, Jiao-Mei; Zhao, Yu; Yao, Chang-Sheng; Zhang, Kai","Stereoselective synthesis of C3-tetrasubstituted oxindoles via copper catalyzed asymmetric propargylation","RSC Advances","2022","12","41","26727","26732","10.1039/D2RA04603B","","","0.71073","MoKα","","0.0545","0.0371","","","0.0882","0.0948","","","","","","1.009","","","","has coordinates","278062","2022-09-22","01:10:18",""
"7245523","11.8686","0.00007","11.8686","0.00007","23.1699","0.0003","90","","90","","120","","2826.53","0.04","200","2","200","2","","","","","","","","5","P 31","P 31","144","","","","- C20 H16 Cl3 N O -","- C20 H16 Cl3 N O -","- C120 H96 Cl18 N6 O6 -","6","2","","Baumann, Andreas; Isak, Daniel; Lohbeck, Jasmin; Jagtap, Pravin Kumar Ankush; Hennig, Janosch; Miller, Aubry K.","Scalable synthesis and structural characterization of reversible KLK6 inhibitors","RSC Advances","2022","12","41","26989","26993","10.1039/D2RA04670A","","","0.71073","MoKα","","0.0573","0.0382","","","0.0745","0.0842","","","","","","0.986","","","","has coordinates","278063","2022-09-22","01:10:58",""
"7245524","7.5133","0.0004","9.5794","0.0004","12.1165","0.0006","90","","105.166","0.0012","90","","841.69","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O S -","- C17 H23 N O S -","- C34 H46 N2 O2 S2 -","2","1","","Baumann, Andreas; Isak, Daniel; Lohbeck, Jasmin; Jagtap, Pravin Kumar Ankush; Hennig, Janosch; Miller, Aubry K.","Scalable synthesis and structural characterization of reversible KLK6 inhibitors","RSC Advances","2022","12","41","26989","26993","10.1039/D2RA04670A","","","0.71073","MoKα","","0.0391","0.0324","","","0.0692","0.0721","","","","","","1.062","","","","has coordinates","278063","2022-09-22","01:10:58",""
"7245525","11.5944","0.0005","7.9944","0.0004","11.8474","0.0005","90","","101.879","0.002","90","","1074.62","0.08","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 F3 N3 O2 -","- C26 H20 F3 N3 O2 -","- C52 H40 F6 N6 O4 -","2","1","","Han, Zhao; Jin, Jiaping; Woldegiorgis, Alemayehu Gashaw; Lin, Xufeng","Organocatalytic diastereo- and enantioselective conjugate addition of pyrazol-3-ones to 3-trifluoroethylidene oxindoles with a newly developed squaramide catalyst","RSC Advances","2022","12","41","27012","27021","10.1039/D2RA05088A","","","1.54178","CuKα","","0.0333","0.0307","","","0.0714","0.0734","","","","","","1.067","","","","has coordinates","278064","2022-09-22","01:11:32",""
"7245526","7.02449","0.00006","39.0527","0.0002","25.57042","0.00018","90","","89.9888","0.0007","90","","7014.61","0.09","100","0.1","100","0.1","","","","","","","synthetic","7","P 1 21 1","P 2yb","4","","N6-Benzoyl-2'-O-tert-butyldimethylsilyl-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)-adenosine","","- C30 H44 N5 O7 P S2 Si -","- C30 H44 N5 O7 P S2 Si -","- C240 H352 N40 O56 P8 S16 Si8 -","8","4","","Jastrzębska, Katarzyna; Maciaszek, Anna; Dolot, Rafał; Tomaszewska-Antczak, Agnieszka; Mikołajczyk, Barbara; Guga, Piotr","Synthesis and hybridizing properties of P-stereodefined chimeric [PS]-{DNA:RNA} and [PS]-{DNA:(2′-OMe)-RNA} oligomers","RSC Advances","2022","12","41","26815","26824","10.1039/D2RA04855H","","x-ray","1.54184","CuKα","","0.0668","0.0563","","","0.138","0.1439","","","","","","1.06","","","","has coordinates,has disorder","278065","2022-09-22","01:12:13",""
"7245527","9.7123","0.0002","15.2241","0.0004","18.7948","0.0005","90","","101.086","0.001","90","","2727.16","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Methyl-2,4-diphenylfuran-3-carbonitrile","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Almaraz-Ortiz, Wilfrido E.; Ramos Orea, Aldahir; Casadiego-Díaz, Oscar; Reyes-Salgado, Agustín; Mejía-Galindo, Arturo; Torres-Ochoa, Rubén O.","Divergent copper-catalyzed syntheses of 3-carboxylpyrroles and 3-cyanofurans from O-acetyl oximes and β-ketoesters/nitriles","RSC Advances","2022","12","41","26673","26679","10.1039/D2RA04938D","","","1.54178","CuKα","","0.0877","0.0695","","","0.1483","0.1637","","","","","","1.158","","","","has coordinates","278066","2022-09-22","01:12:46",""
"7245528","7.5726","0.0001","12.6658","0.0002","12.7853","0.0002","90","","92.774","0.001","90","","1224.84","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Almaraz-Ortiz, Wilfrido E.; Ramos Orea, Aldahir; Casadiego-Díaz, Oscar; Reyes-Salgado, Agustín; Mejía-Galindo, Arturo; Torres-Ochoa, Rubén O.","Divergent copper-catalyzed syntheses of 3-carboxylpyrroles and 3-cyanofurans from O-acetyl oximes and β-ketoesters/nitriles","RSC Advances","2022","12","41","26673","26679","10.1039/D2RA04938D","","","0.71073","MoKα","","0.0498","0.0425","","","0.1146","0.1209","","","","","","1.051","","","","has coordinates","278066","2022-09-22","01:12:46",""
"7245566","18.9696","0.0002","10.5128","0.0001","19.2832","0.0002","90","","89.986","0.001","90","","3845.53","0.07","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9.76 H7.72 Cu0.24 N2.12 P0.47 -","- C9.76471 H7.71765 Cu0.235294 N2.11765 P0.470588 -","- C166 H131.2 Cu4 N36 P8 -","17","4.25","","Xiang, Jing; Wang, Li-Xin; Zhang, Xu; Zhu, De-Sheng; Wang, Lei; Liu, Lu-Lu; Leung, Chi-Fai; Xiang, Jing","Effect of the dangling aromatic ring on neutral luminescent bis(phosphine) Cu(i)/Ag(i) complexes with the asymmetric pyridyl-tetrazolate ligands","RSC Advances","2022","12","42","27267","27274","10.1039/D2RA04684A","","x-ray","1.54184","CuKα","","0.0818","0.077","","","0.2221","0.2266","","","","","","1.065","","","","has coordinates,has disorder","278204","2022-09-27","01:15:45",""
"7245567","19.2853","0.0009","10.8239","0.0004","19.3211","0.0008","90","","92.111","0.004","90","","4030.4","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 Ag N9 P2 -","- C43 H34 Ag N9 P2 -","- C172 H136 Ag4 N36 P8 -","4","1","","Xiang, Jing; Wang, Li-Xin; Zhang, Xu; Zhu, De-Sheng; Wang, Lei; Liu, Lu-Lu; Leung, Chi-Fai; Xiang, Jing","Effect of the dangling aromatic ring on neutral luminescent bis(phosphine) Cu(i)/Ag(i) complexes with the asymmetric pyridyl-tetrazolate ligands","RSC Advances","2022","12","42","27267","27274","10.1039/D2RA04684A","","x-ray","1.54184","CuKα","","0.116","0.066","","","0.1678","0.2095","","","","","","1.026","","","","has coordinates","278204","2022-09-27","01:15:54",""
"7245568","23.086","0.006","4.9431","0.0007","26.214","0.005","90","","108.441","0.014","90","","2837.8","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl2 N2 -","- C34 H24 Cl2 N2 -","- C136 H96 Cl8 N8 -","4","1","","George, Kevin; Kannadasan, Sathananthan","An expeditious synthesis of 6,7-dihydrodibenzo[b,j][4,7] phenanthroline derivatives as fluorescent materials","RSC Advances","2022","12","42","27246","27252","10.1039/D2RA05198B","","","0.71073","MoKα","","0.1681","0.1084","","","0.2958","0.3433","","","","","","1.175","","","","has coordinates,has disorder","278205","2022-09-27","01:16:30",""
"7245572","10.6094","0.0006","12.8828","0.0007","11.8236","0.0006","90","","98.915","0.004","90","","1596.51","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cl In N2 S2 -","- C10 H24 Cl In N2 S2 -","- C40 H96 Cl4 In4 N8 S8 -","4","1","","Karmakar, Gourab; Tyagi, Adish; Shah, Alpa Y.; Kumbhare, Liladhar B.; Wadawale, A. P.; Kedarnath, G.; Singh, Vishal","Synthesis of photoresponsive and photoemissive ultrathin 2D nanosheets of In2S3 achieved through a new single source molecular precursor","RSC Advances","2022","12","42","27292","27299","10.1039/D2RA05000E","","x-ray","1.54184","CuKα","","0.0724","0.0594","","","0.152","0.1603","","","","","","1.032","","","","has coordinates","278234","2022-09-28","01:17:19",""
"7245573","6.6651","0.0003","22.2825","0.0012","10.6562","0.0006","90","","97.288","0.002","90","","1569.82","0.14","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl N2 O3 Pt -","- C15 H17 Cl N2 O3 Pt -","- C60 H68 Cl4 N8 O12 Pt4 -","4","1","","Al-Rashdi, Kamelah S.; Babgi, Bandar A.; Ali, Ehab M. M.; Davaasuren, Bambar; Jedidi, Abdesslem; Emwas, Abdul-Hamid M.; Alrayyani, Maymounah A.; Jaremko, Mariusz; Humphrey, Mark G.; Hussien, Mostafa A.","Tuning the anticancer properties of Pt(ii) complexes via structurally flexible N-(2-picolyl)salicylimine ligands","RSC Advances","2022","12","42","27582","27595","10.1039/D2RA04992A","","x-ray","0.71073","MoKα","","0.0187","0.0171","","","0.0353","0.036","","","","","","1.203","","","","has coordinates","278235","2022-09-28","01:17:40",""
"7245580","8.187","0.003","9.949","0.003","10.504","0.003","76.646","0.006","82.523","0.006","75.163","0.006","802.4","0.4","570","2","570","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.1044","0.058","","","0.159","0.1853","","","","","","1.063","","","","has coordinates","278262","2022-09-29","01:21:46",""
"7245581","21.496","0.008","7.8","0.003","21.007","0.007","90","","95.13","0.03","90","","3508","2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C176 H168 N8 O16 -","8","1","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.2539","0.0687","","","0.1021","0.1388","","","","","","0.953","","","","has coordinates","278262","2022-09-29","01:21:59",""
"7245582","8.19","0.004","11.379","0.005","12.636","0.006","104.04","0.04","91.86","0.04","97.94","0.04","1128.8","0.9","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H21 N5 -","- C28 H21 N5 -","- C56 H42 N10 -","2","1","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.107","0.0731","","","0.1994","0.2512","","","","","","1.119","","","","has coordinates","278262","2022-09-29","01:22:15",""
"7245583","14.66","0.003","8.79","0.0018","16.19","0.003","90","","99.29","0.03","90","","2058.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O -","- C25 H21 N3 O -","- C100 H84 N12 O4 -","4","1","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.127","0.0508","","","0.1079","0.128","","","","","","0.853","","","","has coordinates","278262","2022-09-29","01:22:31",""
"7245584","11.278","0.003","17.731","0.003","20.405","0.005","90","","103.26","0.03","90","","3971.6","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C192 H184 N8 O16 -","8","4","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.0845","0.0458","","","0.107","0.1208","","","","","","1.053","","","","has coordinates","278262","2022-09-29","01:22:46",""
"7245585","11.991","0.003","12.429","0.003","14.575","0.003","103.172","0.016","107.987","0.018","93.834","0.019","1989.5","0.9","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N3 O -","- C25 H21 N3 O -","- C100 H84 N12 O4 -","4","2","","Sigalov, Mark; Mazor, Royi; Ellern, Arkady; Larina, Nina; Lokshin, Vladimir; Khodorkovsky, Vladimir","Conjugated donor–acceptor substituted systems involving the 1,3-indandione-derived electron accepting moieties","RSC Advances","2022","12","43","27766","27774","10.1039/D2RA05335G","","","0.71073","MoKα","","0.0995","0.0719","","","0.1842","0.2067","","","","","","1.031","","","","has coordinates","278262","2022-09-29","01:22:49",""
"7245586","7.4891","0.0004","7.5179","0.0005","8.3461","0.0004","97.096","0.005","113.966","0.005","108.729","0.005","388.75","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Cl2 Cu N2 -","- C14 H18 Cl2 Cu N2 -","- C14 H18 Cl2 Cu N2 -","1","0.5","","Malik, Magdalena; Świtlicka, Anna; Bieńko, Alina; Komarnicka, Urszula K.; Bieńko, Dariusz C.; Kozieł, Sandra; Kyzioł, Agnieszka; Mazur, Tomasz; Machura, Barbara","Copper(ii) complexes with 2-ethylpyridine and related hydroxyl pyridine derivatives: structural, spectroscopic, magnetic and anticancer in vitro studies","RSC Advances","2022","12","42","27648","27665","10.1039/D2RA05133H","","","0.71073","MoKα","","0.0328","0.0274","","","0.0635","0.0658","","","","","","1.074","","","","has coordinates","278263","2022-09-29","01:24:07",""
"7245587","6.1899","0.0003","8.0094","0.0005","8.5356","0.0004","89.741","0.005","79.214","0.004","70.029","0.006","389.89","0.04","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl2 Cu2 N2 O2 -","- C14 H16 Cl2 Cu2 N2 O2 -","- C14 H16 Cl2 Cu2 N2 O2 -","1","0.5","","Malik, Magdalena; Świtlicka, Anna; Bieńko, Alina; Komarnicka, Urszula K.; Bieńko, Dariusz C.; Kozieł, Sandra; Kyzioł, Agnieszka; Mazur, Tomasz; Machura, Barbara","Copper(ii) complexes with 2-ethylpyridine and related hydroxyl pyridine derivatives: structural, spectroscopic, magnetic and anticancer in vitro studies","RSC Advances","2022","12","42","27648","27665","10.1039/D2RA05133H","","x-ray","0.71073","MoKα","","0.0438","0.0309","","","0.0641","0.0716","","","","","","1.033","","","","has coordinates","278263","2022-09-29","01:24:07",""
"7245588","13.5721","0.0014","7.179","0.0005","8.2686","0.0006","90","","110.398","0.007","90","","755.13","0.11","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H20 Cu N2 O6 -","- C12 H20 Cu N2 O6 -","- C24 H40 Cu2 N4 O12 -","2","0.25","","Malik, Magdalena; Świtlicka, Anna; Bieńko, Alina; Komarnicka, Urszula K.; Bieńko, Dariusz C.; Kozieł, Sandra; Kyzioł, Agnieszka; Mazur, Tomasz; Machura, Barbara","Copper(ii) complexes with 2-ethylpyridine and related hydroxyl pyridine derivatives: structural, spectroscopic, magnetic and anticancer in vitro studies","RSC Advances","2022","12","42","27648","27665","10.1039/D2RA05133H","","x-ray","0.71073","MoKα","","0.0291","0.0283","","","0.0717","0.0723","","","","","","1.113","","","","has coordinates","278263","2022-09-29","01:24:07",""
"7245589","16.745","0.0007","11.934","0.0006","18.8133","0.0009","90","","103.62","0.004","90","","3653.8","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl6 Cu4 N4 O -","- C28 H36 Cl6 Cu4 N4 O -","- C112 H144 Cl24 Cu16 N16 O4 -","4","1","","Malik, Magdalena; Świtlicka, Anna; Bieńko, Alina; Komarnicka, Urszula K.; Bieńko, Dariusz C.; Kozieł, Sandra; Kyzioł, Agnieszka; Mazur, Tomasz; Machura, Barbara","Copper(ii) complexes with 2-ethylpyridine and related hydroxyl pyridine derivatives: structural, spectroscopic, magnetic and anticancer in vitro studies","RSC Advances","2022","12","42","27648","27665","10.1039/D2RA05133H","","","0.71073","MoKα","","0.0793","0.0392","","","0.0717","0.0857","","","","","","1.011","","","","has coordinates,has disorder","278263","2022-09-29","01:24:07",""
"7245590","10.0659","0.0001","11.5585","0.0002","16.0001","0.0002","91.9737","0.0005","100.254","0.0005","92.6788","0.0005","1828.1","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H84 Br4 N10 O19 -","- C70 H84 Br4 N10 O19 -","- C70 H84 Br4 N10 O19 -","1","0.5","","Viviano-Posadas, Alejandro O.; Romero-Mendoza, Ulises; Bazany-Rodríguez, Iván J.; Velázquez-Castillo, Rocío V.; Martínez-Otero, Diego; Bautista-Renedo, Joanatan M.; González-Rivas, Nelly; Galindo-Murillo, Rodrigo; Salomón-Flores, María K.; Dorazco-González, Alejandro","Efficient fluorescent recognition of ATP/GTP by a water-soluble bisquinolinium pyridine-2,6-dicarboxamide compound. Crystal structures, spectroscopic studies and interaction mode with DNA","RSC Advances","2022","12","43","27826","27838","10.1039/D2RA05040D","","","0.71073","MoKα","","0.0292","0.0261","","","0.0641","0.0654","","","","","","1.052","","","","has coordinates,has disorder","278274","2022-09-30","01:10:00",""
"7245591","9.3162","0.0002","15.1106","0.0004","15.1042","0.0004","90","","93.2292","0.0018","90","","2122.89","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F3 N2 O6 S -","- C21 H19 F3 N2 O6 S -","- C84 H76 F12 N8 O24 S4 -","4","1","","Viviano-Posadas, Alejandro O.; Romero-Mendoza, Ulises; Bazany-Rodríguez, Iván J.; Velázquez-Castillo, Rocío V.; Martínez-Otero, Diego; Bautista-Renedo, Joanatan M.; González-Rivas, Nelly; Galindo-Murillo, Rodrigo; Salomón-Flores, María K.; Dorazco-González, Alejandro","Efficient fluorescent recognition of ATP/GTP by a water-soluble bisquinolinium pyridine-2,6-dicarboxamide compound. Crystal structures, spectroscopic studies and interaction mode with DNA","RSC Advances","2022","12","43","27826","27838","10.1039/D2RA05040D","","","1.54178","CuKα","","0.0429","0.0368","","","0.0979","0.1022","","","","","","1.023","","","","has coordinates","278274","2022-09-30","01:10:03",""
"7245601","8.2367","0.0002","9.9002","0.0003","17.2237","0.0005","90","","90","","90","","1404.51","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","napalilactone","","- C14 H21 Cl O3 -","- C14 H21 Cl O3 -","- C56 H84 Cl4 O12 -","4","1","","Phan, Gia Hung; Hu, Hao-Chun; Chang, Fang-Rong; Wen, Zhi-Hong; Chen, Jih-Jung; Chung, Hsu-Ming; Tsai, Yu-Chi; Sung, Ping-Jyun","Norsesquiterpenoids from the octocoral Paralemnalia thyrsoides (Ehrenberg 1834)","RSC Advances","2022","12","43","27970","27976","10.1039/D2RA05015C","","","0.71073","MoKα","","0.0621","0.046","","","0.106","0.1248","","","","","","1.159","","","","has coordinates","278295","2022-10-01","01:13:41",""
"7245606","10.0436","0.0005","11.4268","0.0006","12.7535","0.0006","92.782","0.001","96.893","0.001","108.438","0.001","1372.67","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H24 N2 O2 -","- C15 H24 N2 O2 -","- C60 H96 N8 O8 -","4","2","","Zhang, Jia-Hui; Cao, Mingming; Zhang, Yu; Li, Xiao-Hui; Gu, Yu-Cheng; Li, Xiao-Nian; Di, Ying-Tong; Hao, Xiao-Jiang","Scalemic myrionsumamide A, tetracyclic skeleton alkaloids from Myrioneuron effusum","RSC Advances","2022","12","43","28147","28151","10.1039/D2RA05342J","","","1.54178","CuKα","","0.0747","0.0744","","","0.2159","0.2165","","","","","","1.107","","","","has coordinates","278351","2022-10-05","01:19:18",""
"7245607","9.0251","0.001","11.4612","0.0013","11.5392","0.0013","64.078","0.002","82.62","0.002","83.522","0.002","1062.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Br N3 S -","- C23 H20 Br N3 S -","- C46 H40 Br2 N6 S2 -","2","1","","Wang, Kai-Kai; Li, Yan-Li; Wang, Ming-Yue; Jing, Jun; Wang, Zhan-Yong; Chen, Rongxiang","[3 + 2] cycloaddition of nonstabilized azomethine ylides and 2-benzothiazolamines to access imidazolidine derivatives","RSC Advances","2022","12","44","28295","28298","10.1039/D2RA04616D","","","0.71073","MoKα","","0.0738","0.0412","","","0.0896","0.0989","","","","","","0.993","","","","has coordinates","278352","2022-10-05","01:19:38",""
"7245626","7.5776","0.0001","14.7143","0.0002","17.7153","0.0003","90","","90","","90","","1975.24","0.05","173","0.1","173","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,5-dibromo-1-methyl-2-(prop-2-yn-1-yl)-1,2-dihydropyridazine-3,6-dione","","- C8 H6 Br2 N2 O2 -","- C8 H6 Br2 N2 O2 -","- C64 H48 Br16 N16 O16 -","8","1","","Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin","Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications","RSC Advances","2022","12","44","28306","28317","10.1039/D2RA05580E","","x-ray","0.71073","MoKα","","0.0273","0.0207","","","0.0457","0.048","","","","","","1.067","","","","has coordinates","278375","2022-10-06","00:58:42",""
"7245627","9.71112","0.00009","15.04527","0.00014","11.81596","0.00012","90","","90.7446","0.0009","90","","1726.24","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Si-Xanthone","3,7-bis(dimethylamino)-5,5-dimethyldibenzo[b,e]silin-10(5H)-one","","- C19 H24 N2 O Si -","- C19 H24 N2 O Si -","- C76 H96 N8 O4 Si4 -","4","1","","Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin","Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications","RSC Advances","2022","12","44","28306","28317","10.1039/D2RA05580E","","x-ray","0.71073","MoKα","","0.0467","0.0394","","","0.1045","0.1103","","","","","","1.043","","","","has coordinates","278375","2022-10-06","00:58:42",""
"7245628","8.6606","0.0002","18.8553","0.0002","12.7788","0.0003","90","","107.662","0.002","90","","1988.39","0.07","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-(dimethylsilanediyl)bis(4-bromo-N,N-dimethylaniline)","","- C18 H24 Br2 N2 Si -","- C18 H24 Br2 N2 Si -","- C72 H96 Br8 N8 Si4 -","4","1","","Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin","Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications","RSC Advances","2022","12","44","28306","28317","10.1039/D2RA05580E","","x-ray","0.71073","MoKα","","0.0478","0.0335","","","0.0584","0.0627","","","","","","1.045","","","","has coordinates,has disorder","278375","2022-10-06","00:58:42",""
"7245629","5.1667","0.00004","7.62474","0.00006","20.29901","0.00017","90","","91.9565","0.0008","90","","799.208","0.011","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","Biotin-NHS","2,5-dioxopyrrolidin-1-yl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate","","- C14 H19 N3 O5 S -","- C14 H19 N3 O5 S -","- C28 H38 N6 O10 S2 -","2","1","","Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin","Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications","RSC Advances","2022","12","44","28306","28317","10.1039/D2RA05580E","","x-ray","1.54184","CuKα","","0.0277","0.0273","","","0.0734","0.0737","","","","","","1.059","","","","has coordinates","278375","2022-10-06","00:58:43",""
"7245631","8.5211","0.0004","6.8626","0.0003","7.556","0.0004","90","","101.533","0.001","90","","432.93","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O2 -","- C8 H6 N4 O2 -","- C16 H12 N8 O4 -","2","0.5","","Chavez, David E.; Tappan, Bryce C.; Kuehl, Valerie A.; Schmalzer, Andrew M.; Leonard, Philip W.; Wu, Ruilian; Imler, Greg H.; Parrish, Damon A.","[3+2] click chemistry approach to tetrazine containing polymers","RSC Advances","2022","12","44","28490","28493","10.1039/D2RA05339J","","","0.71073","MoKα","","0.0494","0.0369","","","0.0965","0.1039","","","","","","1.044","","","","has coordinates","278463","2022-10-07","01:13:44",""
"7245632","9.1611","0.0017","28.828","0.006","5.3391","0.0012","90","","90","","90","","1410","0.5","273.15","","273.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Ye, Min; Xu, Fan; Bai, Yun; Zhang, Fanglian; Wang, Wenjia; Qian, Yiping; Chen, Zhengwang","Base-promoted highly efficient synthesis of nitrile-substituted cyclopropanes via Michael-initiated ring closure","RSC Advances","2022","12","44","28576","28579","10.1039/D2RA05393D","","","0.71073","MoKα","","0.1316","0.1207","","","0.3122","0.3193","","","","","","1.0359","","","","has coordinates","278466","2022-10-07","01:15:02",""
"7245633","9.3594","0.0009","12.4742","0.0012","11.0555","0.0012","90","","95.258","0.004","90","","1285.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N3 -","- C16 H11 N3 -","- C64 H44 N12 -","4","1","","Ye, Min; Xu, Fan; Bai, Yun; Zhang, Fanglian; Wang, Wenjia; Qian, Yiping; Chen, Zhengwang","Base-promoted highly efficient synthesis of nitrile-substituted cyclopropanes via Michael-initiated ring closure","RSC Advances","2022","12","44","28576","28579","10.1039/D2RA05393D","","","0.71076","MoKα","","0.0961","0.0629","","","0.1279","0.1408","","","","","","1.074","","","","has coordinates","278466","2022-10-07","01:15:02",""
"7245643","7.7833","0.0002","14.5312","0.0004","13.2396","0.0003","90","","90.865","0.001","90","","1497.24","0.07","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Br4 N2 Zn -","- C6 H18 Br4 N2 Zn -","- C24 H72 Br16 N8 Zn4 -","4","1","","Lim, Ae Ran; Ju, Huiyeong","Organic–inorganic hybrid [NH3(CH2)6NH3]ZnBr4 crystal: structural characterization, phase transitions, thermal properties, and structural dynamics","RSC Advances","2022","12","44","28720","28727","10.1039/D2RA04834E","","","0.71073","MoKα","","0.0421","0.03","","","0.0633","0.0677","","","","","","1.047","","","","has coordinates","278520","2022-10-11","01:15:10",""
"7245656","4.3115","0.0007","4.3115","0.0007","14.936","0.002","90","","90","","90","","277.65","0.07","293","2","293","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cu0.97 K Mn1.03 Te2 -","- Cu0.96 K Mn1.04 Te2 -","- Cu1.92 K2 Mn2.08 Te4 -","2","0.0625","","Sun, Fan; Liu, Zhao; Lin, Jiawei; Deng, Jun; Guo, Zhongnan; Yuan, Wenxia","KMnCuTe2: a layered antiferromagnetic semiconductor with long metal–metal distance","RSC Advances","2022","12","45","29003","29009","10.1039/D2RA04789F","","","0.71073","MoKα","","0.0207","0.0202","","","0.0497","0.0499","","","","","","1.236","","","","has coordinates","278540","2022-10-12","01:26:56",""
"7245657","8.3812","0.0007","9.8732","0.0008","13.0649","0.0011","82.404","0.003","88.395","0.003","86.109","0.003","1068.96","0.15","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N2 O4 S -","- C23 H24 N2 O4 S -","- C46 H48 N4 O8 S2 -","2","1","","Anand, Sekar; Rani, Muthurakku Usha; Kalainathan, Sivaperuman; Babu, Ravi Shanker","Analysis of the growth and physicochemical properties of the newly developed stilbazolium derivative 4-N,N-dimethylamino-4-N-methyl stilbazolium 2-formyl benzene sulfonate (DSFS) single crystal: an effective material for nonlinear optical applications","RSC Advances","2022","12","45","29022","29033","10.1039/D2RA05302K","","","0.71073","MoKα","","0.0787","0.0485","","","0.1119","0.1321","","","","","","1.037","","","","has coordinates","278541","2022-10-12","01:27:23",""
"7245658","12.9318","0.0006","13.4441","0.0007","21.2885","0.0013","87.26","0.003","77.637","0.002","68.699","0.003","3366.5","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H57 As8 N12 Ni3 O50.5 S V14 -","- C12 H46 As8 N12 Ni3 O50.5 S V14 -","- C24 H92 As16 N24 Ni6 O101 S2 V28 -","2","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.1009","0.0707","","","0.191","0.2161","","","","","","0.883","","","","has coordinates","278542","2022-10-12","01:29:57",""
"7245659","8.41","0.004","9.221","0.005","11.896","0.006","81.328","0.007","80.254","0.007","83.965","0.008","895.8","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Cl4 Fe2 N12 O -","- C36 H24 Cl4 Fe2 N12 O -","- C36 H24 Cl4 Fe2 N12 O -","1","0.5","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.1013","0.0646","","","0.1511","0.1967","","","","","","1.05","","","","has coordinates","278542","2022-10-12","01:29:57",""
"7245660","8.8127","0.0006","10.9546","0.0005","15.1293","0.0006","71.115","0.004","81.894","0.004","68.777","0.005","1287.76","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Cl Mn N6 O4 -","- C24 H27 Cl Mn N6 O4 -","- C48 H54 Cl2 Mn2 N12 O8 -","2","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.0687","0.049","","","0.1186","0.1351","","","","","","1.006","","","","has coordinates","278542","2022-10-12","01:29:57",""
"7245661","8.7197","0.0017","9.1076","0.0018","13.374","0.003","106.09","0.03","99.73","0.03","100.6","0.03","975.5","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl2 Fe N6 O2 -","- C18 H16 Cl2 Fe N6 O2 -","- C36 H32 Cl4 Fe2 N12 O4 -","2","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.087","0.0819","","","0.2299","0.2377","","","","","","1.084","","","","has coordinates","278542","2022-10-12","01:29:57",""
"7245662","12.6917","0.0011","18.5226","0.0017","24.683","0.002","93.07","0.002","93.369","0.002","97.272","0.002","5735","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H152 Fe7 N6 O37 -","- C94 H152 Fe7 N6 O37 -","- C188 H304 Fe14 N12 O74 -","2","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.0743","0.0515","","","0.1168","0.1315","","","","","","1.044","","","","has coordinates","278542","2022-10-12","01:29:58",""
"7245663","9.2814","0.0009","15.3813","0.0015","15.9903","0.0015","90","","93.392","0.003","90","","2278.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl2 Fe N6 O2 -","- C23 H21 Cl2 Fe N6 O2 -","- C92 H84 Cl8 Fe4 N24 O8 -","4","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.0693","0.044","","","0.0931","0.0999","","","","","","0.904","","","","has coordinates","278542","2022-10-12","01:29:58",""
"7245664","24.887","0.018","12.069","0.009","35.14","0.02","90","","108.01","0.02","90","","10038","12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H123 Fe7 N7 O29 -","- C80 H123 Fe7 N7 O29 -","- C320 H492 Fe28 N28 O116 -","4","1","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.1601","0.0846","","","0.1836","0.2276","","","","","","0.998","","","","has coordinates","278542","2022-10-12","01:29:58",""
"7245665","11.9688","0.0017","40.521","0.006","15.23","0.002","90","","111.591","0.004","90","","6868.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C72 H50 Cl32 Fe10 N24 O0.45 -","- C72 H50 Cl32 Fe10 N24 O0.452 -","- C144 H100 Cl64 Fe20 N48 O0.904 -","2","0.5","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.1646","0.0946","","","0.207","0.2252","","","","","","1.003","","","","has coordinates,has disorder","278542","2022-10-12","01:29:58",""
"7245666","16.277","0.006","22.189","0.008","31.533","0.011","70.195","0.009","79.277","0.012","72.259","0.011","10162","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C81.25 H132 Fe7 N6 O29.75 -","- C81.25 H132 Fe7 N6 O29.75 -","- C325 H528 Fe28 N24 O119 -","4","2","","Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.","FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties","RSC Advances","2022","12","45","29034","29047","10.1039/D2RA04868J","","","0.71073","MoKα","","0.1922","0.0773","","","0.1246","0.1652","","","","","","0.981","","","","has coordinates,has disorder","278542","2022-10-12","01:29:58",""
"7245669","12.2472","0.0003","20.8833","0.0005","22.777","0.0005","69.332","0.001","83.042","0.001","86.56","0.001","5409.5","0.2","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H129 Cl2 Eu4 N4 O18 S8 -","- C96 H129 Cl2 Eu4 N4 O18 S8 -","- C192 H258 Cl4 Eu8 N8 O36 S16 -","2","1","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","x-ray","0.71073","MoKα","","0.0427","0.035","","","0.0975","0.1098","","","","","","1.159","","","","has coordinates","278560","2022-10-13","01:29:19",""
"7245670","13.3479","0.0004","13.3479","0.0004","46.0809","0.0018","90","","90","","90","","8210.1","0.5","200","","200","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C82 H142 O44 S8 Tb9 -","- C82 H142 O44 S8 Tb9 -","- C164 H284 O88 S16 Tb18 -","2","0.125","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","","0.71073","MoKα","","0.0787","0.0628","","","0.1582","0.1731","","","","","","1.107","","","","has coordinates,has disorder","278560","2022-10-13","01:29:19",""
"7245671","12.2571","0.0003","20.9533","0.0005","22.9088","0.0006","69.3","0.001","83","0.001","86.582","0.001","5461.9","0.2","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H129 Cl2 N4 O18 S8 Tb4 -","- C96 H129 Cl2 N4 O18 S8 Tb4 -","- C192 H258 Cl4 N8 O36 S16 Tb8 -","2","1","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","","0.71073","MoKα","","0.0415","0.0351","","","0.1001","0.112","","","","","","1.177","","","","has coordinates","278560","2022-10-13","01:29:19",""
"7245672","13.3613","0.0004","13.3613","0.0004","46.1864","0.0017","90","","90","","90","","8245.4","0.5","200","","200","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C82 H144 Gd9 O44 S8 -","- C82 H144 Gd9 O44 S8 -","- C164 H288 Gd18 O88 S16 -","2","0.125","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","","0.71073","MoKα","","0.0537","0.0454","","","0.1269","0.1352","","","","","","1.061","","","","has coordinates,has disorder","278560","2022-10-13","01:29:19",""
"7245673","13.2526","0.0004","13.2526","0.0004","46.0114","0.0019","90","","90","","90","","8081","0.5","200","","200","","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C82 H142 Dy9 O44 S8 -","- C82 H142 Dy9 O44 S8 -","- C164 H284 Dy18 O88 S16 -","2","0.125","","Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun","Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters","RSC Advances","2022","12","45","29151","29161","10.1039/D2RA04942B","","","0.71073","MoKα","","0.0572","0.0498","","","0.1338","0.1411","","","","","","1.058","","","","has coordinates,has disorder","278560","2022-10-13","01:29:19",""
"7245676","14.6902","0.0009","13.7174","0.0009","24.6811","0.0015","90","","93.826","0.001","90","","4962.4","0.5","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H66 Cl2 N8 O4 Ru2 -","- C51 H66 Cl2 N8 O4 Ru2 -","- C204 H264 Cl8 N32 O16 Ru8 -","4","1","","Kumar, Anuj; Ta, Sabyasachi; Nettem, Chandrasekhar; Tanski, Joseph M.; Rajaraman, Gopalan; Ghosh, Prasenjit","One pot tandem dehydrogenative cross-coupling of primary and secondary alcohols by ruthenium amido-functionalized 1,2,4-triazole derived N-heterocyclic carbene complexes","RSC Advances","2022","12","45","28961","28984","10.1039/D2RA05531G","","","0.71073","MoKα","","0.0458","0.0311","","","0.0698","0.0776","","","","","","1.036","","","","has coordinates,has disorder","278578","2022-10-14","01:12:59",""
"7245677","9.7727","0.0004","10.5843","0.0004","11.9045","0.0005","92.434","0.001","93.672","0.001","95.549","0.001","1221.61","0.09","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H29 Cl N4 O2 Ru -","- C26 H29 Cl N4 O2 Ru -","- C52 H58 Cl2 N8 O4 Ru2 -","2","1","","Kumar, Anuj; Ta, Sabyasachi; Nettem, Chandrasekhar; Tanski, Joseph M.; Rajaraman, Gopalan; Ghosh, Prasenjit","One pot tandem dehydrogenative cross-coupling of primary and secondary alcohols by ruthenium amido-functionalized 1,2,4-triazole derived N-heterocyclic carbene complexes","RSC Advances","2022","12","45","28961","28984","10.1039/D2RA05531G","","","0.71073","MoKα","","0.0637","0.0418","","","0.0937","0.1038","","","","","","1.071","","","","has coordinates","278578","2022-10-14","01:13:03",""
"7245678","12.9792","0.0004","13.3677","0.0005","13.2454","0.0004","90","","113.953","0.0005","90","","2100.2","0.12","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Cl N4 O2 Ru -","- C21 H27 Cl N4 O2 Ru -","- C84 H108 Cl4 N16 O8 Ru4 -","4","1","","Kumar, Anuj; Ta, Sabyasachi; Nettem, Chandrasekhar; Tanski, Joseph M.; Rajaraman, Gopalan; Ghosh, Prasenjit","One pot tandem dehydrogenative cross-coupling of primary and secondary alcohols by ruthenium amido-functionalized 1,2,4-triazole derived N-heterocyclic carbene complexes","RSC Advances","2022","12","45","28961","28984","10.1039/D2RA05531G","","","0.71073","MoKα","","0.024","0.021","","","0.053","0.055","","","","","","1.033","","","","has coordinates","278578","2022-10-14","01:13:14",""
"7245679","5.2226","0.0003","12.772","0.0007","19.8559","0.0011","90","","90","","90","","1324.45","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O6 -","- C12 H16 N2 O6 -","- C48 H64 N8 O24 -","4","1","","Walczak, Dominik; Sikorski, Artur; Grzywacz, Daria; Nowacki, Andrzej; Liberek, Beata","Characteristic 1H NMR spectra of β-d-ribofuranosides and ribonucleosides: factors driving furanose ring conformations","RSC Advances","2022","12","45","29223","29239","10.1039/D2RA04274F","","","0.71073","MoKα","","0.0591","0.048","","","0.1026","0.1068","","","","","","1.11","","","","has coordinates","278579","2022-10-14","01:14:13",""
"7245686","11.584","0.0004","13.3019","0.0004","16.7992","0.0005","67.011","0.003","80.092","0.003","77.442","0.003","2315.01","0.14","150","0.1","150.15","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H13 N3 -","- C14 H13 N3 -","- C112 H104 N24 -","8","4","","Zhang, Wei; Tang, Chuan-Su; Xiang, Shi-Qun","Condensation of acrylonitrile and aryl acetonitrile: construction of α-amino-β-cyano cyclohexene skeletons","RSC Advances","2022","12","46","29840","29843","10.1039/D2RA04936H","","","1.54178","CuKα","","0.0488","0.0387","","","0.1094","0.1153","","","","","","1.05","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7245687","6.1541","0.0002","16.16","0.0008","18.3677","0.0009","68.234","0.005","89.533","0.004","84.56","0.004","1688.08","0.14","150.15","","150.15","","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C84 H72 N16 -","4","2","","Zhang, Wei; Tang, Chuan-Su; Xiang, Shi-Qun","Condensation of acrylonitrile and aryl acetonitrile: construction of α-amino-β-cyano cyclohexene skeletons","RSC Advances","2022","12","46","29840","29843","10.1039/D2RA04936H","","","1.54178","CuKα","","0.0721","0.0557","","","0.1422","0.1516","","","","","","1.072","","","","has coordinates","278638","2022-10-19","01:19:02",""
"7245718","8.3551","0.0008","11.7955","0.0011","14.748","0.0013","90","","104.633","0.002","90","","1406.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","","Feng, Guipeng; Meng, Jie; Xu, Shaohong; Gao, Yao; Zhu, Yingying; Huang, Ziyu","Copper-catalyzed cross coupling reaction of sulfonyl hydrazides with 3-aminoindazoles","RSC Advances","2022","12","47","30432","30435","10.1039/D2RA05956H","","","0.71073","MoKα","","0.0498","0.0405","","","0.1073","0.1137","","","","","","0.989","","","","has coordinates","278792","2022-10-26","01:29:19",""
"7245719","6.068","0.0002","13.0347","0.0005","13.5866","0.0005","103.302","0.003","95.6327","0.0018","103.29","0.0019","1004.76","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-(4-bromophenyl)-2,4-dimethoxy-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C21 H22 Br N3 O3 -","- C21 H22 Br N3 O3 -","- C42 H44 Br2 N6 O6 -","2","1","","Patel, Subham G.; González-Bakker, Aday; Vala, Ruturajsinh M.; Patel, Paras J.; Puerta, Adrián; Malik, Apoorva; Sharma, Rakesh K.; Padrón, José M.; Patel, Hitendra M.","Microwave-assisted multicomponent synthesis of antiproliferative 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","47","30404","30415","10.1039/D2RA04669E","","","0.71073","MoKα","","0.0463","0.0315","","","0.0708","0.0762","","","","","","1.029","","","","has coordinates","278793","2022-10-26","01:30:05",""
"7245720","17.3963","0.0006","22.485","0.001","14.0877","0.0009","90","","127.746","0.0013","90","","4357.3","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4-dimethoxy-5-(4-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinolin-6(7H)-one","","- C22 H25 N3 O4 -","- C21.999 H24.997 N3 O3.999 -","- C175.992 H199.976 N24 O31.992 -","8","1","","Patel, Subham G.; González-Bakker, Aday; Vala, Ruturajsinh M.; Patel, Paras J.; Puerta, Adrián; Malik, Apoorva; Sharma, Rakesh K.; Padrón, José M.; Patel, Hitendra M.","Microwave-assisted multicomponent synthesis of antiproliferative 2,4-dimethoxy-tetrahydropyrimido[4,5-b]quinolin-6(7H)-ones","RSC Advances","2022","12","47","30404","30415","10.1039/D2RA04669E","","","0.71073","MoKα","","0.0681","0.0468","","","0.1202","0.1368","","","","","","1.045","","","","has coordinates,has disorder","278793","2022-10-26","01:30:05",""
"7245727","7.1219","0.0004","10.9301","0.0006","11.484","0.0007","90","","90","","90","","893.95","0.09","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Fe4 K6 S8 -","- Fe4 K6 S8 -","- Fe8 K12 S16 -","2","0.25","","Ghazanfari, Mohammad R.; Santhosh, Archa; Vrijmoed, Johannes C.; Siemensmeyer, Konrad; Peters, Bertram; Dehnen, Stefanie; Jerabek, Paul; Thiele, Günther","Large-scale synthesis of mixed valence K3[Fe2S4] with high dielectric and ferrimagnetic characteristics","RSC Advances","2022","12","47","30514","30521","10.1039/D2RA05200H","","","0.71073","MoKα","","0.0555","0.0428","","","0.0691","0.0724","","","","","","1.141","","","","has coordinates","278831","2022-10-27","01:40:06",""
"7245731","10.9221","0.0011","11.2501","0.0011","12.3823","0.0011","90","","112.92","0.003","90","","1401.4","0.2","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 N4 O -","- C17 H14 N4 O -","- C68 H56 N16 O4 -","4","0.5","","Pavithra, Elavarasan; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Synthesis of 5-aryl-3,3′-bis-indolyl and bis-7-aza-indolyl methanone derivatives from 5-bromo-7-azaindoles via sequential methylenation using microwave irradiation, CAN oxidation, and Suzuki coupling reactions","RSC Advances","2022","12","47","30712","30721","10.1039/D2RA05849A","","","0.71073","MoKα","","0.0532","0.0452","","","0.1272","0.1381","","","","","","1.104","","","","has coordinates","278848","2022-10-28","01:22:18",""
"7245732","7.8514","0.0007","8.4149","0.0007","13.4259","0.0012","100.609","0.003","105.51","0.003","95.703","0.003","829.71","0.13","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 Br2 N4 -","- C17 H14 Br2 N4 -","- C34 H28 Br4 N8 -","2","1","","Pavithra, Elavarasan; Kannadasan, Sathananthan; Shanmugam, Ponnusamy","Synthesis of 5-aryl-3,3′-bis-indolyl and bis-7-aza-indolyl methanone derivatives from 5-bromo-7-azaindoles via sequential methylenation using microwave irradiation, CAN oxidation, and Suzuki coupling reactions","RSC Advances","2022","12","47","30712","30721","10.1039/D2RA05849A","","","0.71073","MoKα","","0.0657","0.0425","","","0.0978","0.1074","","","","","","1.047","","","","has coordinates","278848","2022-10-28","01:22:20",""
"7245733","8.596","0.002","10.119","0.002","12.532","0.003","97.262","0.011","105.219","0.011","111.17","0.011","950.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 Cl Cu N2 O6.5 -","- C17 H15 Cl Cu N2 O6.5 -","- C34 H30 Cl2 Cu2 N4 O13 -","2","1","","Banaspati, Atrayee; Ramu, Vanitha; Raza, Md Kausar; Goswami, Tridib K.","Copper(ii) curcumin complexes for endoplasmic reticulum targeted photocytotoxicity","RSC Advances","2022","12","47","30722","30733","10.1039/D2RA04813B","","","0.71073","MoKα","","0.0671","0.0463","","","0.1439","0.1647","","","","","","1.082","","","","has coordinates","278849","2022-10-28","01:23:32",""
"7245734","10.16","0.0012","9.5194","0.001","20.454","0.003","90","","102.925","0.007","90","","1928.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl Cu N4 O6 -","- C19 H15 Cl Cu N4 O6 -","- C76 H60 Cl4 Cu4 N16 O24 -","4","1","","Banaspati, Atrayee; Ramu, Vanitha; Raza, Md Kausar; Goswami, Tridib K.","Copper(ii) curcumin complexes for endoplasmic reticulum targeted photocytotoxicity","RSC Advances","2022","12","47","30722","30733","10.1039/D2RA04813B","","","0.71073","MoKα","","0.083","0.0559","","","0.1479","0.1649","","","","","","1.081","","","","has coordinates","278849","2022-10-28","01:23:35",""
"7245735","7.0452","0.0009","9.2637","0.0012","23.462","0.004","90","","90.102","0.002","90","","1531.2","0.4","140","","140","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","","Zhang, Lujun; Xiong, Wenfang; Yao, Biao; Liu, Haitao; Li, Meng; Qin, Yu; Yu, Yujian; Li, Xu; Chen, Meng; Wu, Wanqing; Li, Jianxiao; Wang, Jinliang; Jiang, Huanfeng","Facile synthesis of isoquinolines and isoquinoline N-oxides via a copper-catalyzed intramolecular cyclization in water","RSC Advances","2022","12","47","30248","30252","10.1039/D2RA06097C","","","0.71073","MoKα","","0.0822","0.0506","","","0.1114","0.133","","","","","","1.021","","","","has coordinates","278850","2022-10-28","01:24:11",""
"7245736","18.473","0.002","6.0831","0.0006","19.451","0.002","90","","100.583","0.006","90","","2148.6","0.4","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N O -","- C15 H11 N O -","- C120 H88 N8 O8 -","8","1","","Zhang, Lujun; Xiong, Wenfang; Yao, Biao; Liu, Haitao; Li, Meng; Qin, Yu; Yu, Yujian; Li, Xu; Chen, Meng; Wu, Wanqing; Li, Jianxiao; Wang, Jinliang; Jiang, Huanfeng","Facile synthesis of isoquinolines and isoquinoline N-oxides via a copper-catalyzed intramolecular cyclization in water","RSC Advances","2022","12","47","30248","30252","10.1039/D2RA06097C","","","0.71073","MoKα","","0.1303","0.0617","","","0.1386","0.1769","","","","","","1.033","","","","has coordinates","278851","2022-10-28","01:24:57",""
"7245737","22.8147","0.0012","22.8147","0.0012","10.5217","0.0007","90","","90","","120","","4742.9","0.5","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C198 H252 N18 O18 -","9","0.5","","Zhang, Lujun; Xiong, Wenfang; Yao, Biao; Liu, Haitao; Li, Meng; Qin, Yu; Yu, Yujian; Li, Xu; Chen, Meng; Wu, Wanqing; Li, Jianxiao; Wang, Jinliang; Jiang, Huanfeng","Facile synthesis of isoquinolines and isoquinoline N-oxides via a copper-catalyzed intramolecular cyclization in water","RSC Advances","2022","12","47","30248","30252","10.1039/D2RA06097C","","","0.71073","MoKα","","0.1042","0.0565","","","0.1309","0.1559","","","","","","1.02","","","","has coordinates","278851","2022-10-28","01:24:57",""
"7245738","5.985309","0.000027","5.985309","","3.52072","0.00005","90","","90","","120","","109.228","0.0016","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Eu0.02 F Na0.53 Y0.45 -","- Eu0.0216667 F Na0.533333 Y0.445 -","- Eu0.13 F6 Na3.2 Y2.67 -","6","0.5","","Ling, Shaokun; Chen, Chang; Meng, Kai; Yan, Yifeng; Ming, Junyun; Liao, Sen; Huang, Yingheng","A crystal defect led zero thermal quenching β-NaYF4 : Eu3+,Dy3+ red emitting phosphor","RSC Advances","2022","12","47","30803","30816","10.1039/D2RA05674G","powder diffraction","","","","","","","","","","","","","1.38","","","","","","","has coordinates","278852","2022-10-28","01:25:32",""
"7245746","16.6281","0.0013","6.4734","0.0004","11.5542","0.0009","90","","103.171","0.003","90","","1210.98","0.15","200","2","200","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 Cl N O -","- C11 H22 Cl N O -","- C44 H88 Cl4 N4 O4 -","4","1","","Hrdina, Radim; Holovko-Kamoshenkova, Oksana M.; Císařová, Ivana; Koucký, Filip; Machalický, Oldřich","Annulated carbamates are precursors for the ring contraction of the adamantane framework","RSC Advances","2022","12","48","31056","31060","10.1039/D2RA06402B","","","0.71073","MoKα","","0.0617","0.0446","","","0.1083","0.1228","","","","","","1.039","","","","has coordinates","278896","2022-11-01","11:44:15",""
"7245747","12.2381","0.0005","11.7529","0.0006","10.0683","0.0004","90","","105.123","0.003","90","","1398","0.11","120","2","120","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","","Hrdina, Radim; Holovko-Kamoshenkova, Oksana M.; Císařová, Ivana; Koucký, Filip; Machalický, Oldřich","Annulated carbamates are precursors for the ring contraction of the adamantane framework","RSC Advances","2022","12","48","31056","31060","10.1039/D2RA06402B","","","1.54178","CuKα","","0.0629","0.0463","","","0.0994","0.109","","","","","","1.057","","","","has coordinates,has disorder","278896","2022-11-01","11:44:15",""
"7245748","16.5645","0.0008","6.4393","0.0003","11.5062","0.0005","90.714","0.001","102.949","0.002","90.789","0.002","1195.82","0.1","120","2","120","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C11 H22 Cl N O -","- C11 H22 Cl N O -","- C44 H88 Cl4 N4 O4 -","4","2","","Hrdina, Radim; Holovko-Kamoshenkova, Oksana M.; Císařová, Ivana; Koucký, Filip; Machalický, Oldřich","Annulated carbamates are precursors for the ring contraction of the adamantane framework","RSC Advances","2022","12","48","31056","31060","10.1039/D2RA06402B","","","1.54178","CuKα","","0.042","0.0397","","","0.1121","0.1146","","","","","","1.077","","","","has coordinates","278896","2022-11-01","11:44:15",""
"7245795","8.5887","0.0008","10.3821","0.001","10.6032","0.0008","96.304","0.007","112.149","0.008","105.649","0.008","819.19","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Br N O5 -","- C15 H16 Br N O5 -","- C30 H32 Br2 N2 O10 -","2","1","","Weng, Zhibing; Zhou, Ying; Yue, Xin; Jiang, Feng; Guo, Wengang","Regioselective α-addition of vinylogous α-ketoester enolate in organocatalytic asymmetric Michael reactions: enantioselective synthesis of Rauhut–Currier type products","RSC Advances","2022","12","49","32056","32060","10.1039/D2RA06416B","","","0.71073","MoKα","","0.0994","0.0529","","","0.1111","0.1354","","","","","","1.063","","","","has coordinates","279224","2022-11-11","02:19:53",""
"7245796","10.638","0.004","17.168","0.007","18.399","0.005","90","","120.573","0.016","90","","2893.1","1.8","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 Cl2 N O4 Sn -","- C29 H31 Cl2 N O4 Sn -","- C116 H124 Cl8 N4 O16 Sn4 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0383","0.0314","","","0.0821","0.0875","","","","","","1.061","","","","has coordinates","279226","2022-11-11","02:22:06",""
"7245797","10.7412","0.0005","12.9279","0.0007","19.3249","0.0012","90","","90","","90","","2683.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H43 N5 Ni O11 -","- C15 H43 N5 Ni O11 -","- C60 H172 N20 Ni4 O44 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0648","0.0431","","","0.0879","0.0995","","","","","","1.057","","","","has coordinates","279226","2022-11-11","02:22:06",""
"7245798","4.96","0.0002","22.0851","0.0009","8.5898","0.0004","90","","98.147","0.001","90","","931.45","0.07","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H32 Cu N2 O6 -","- C14 H32 Cu N2 O6 -","- C28 H64 Cu2 N4 O12 -","2","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0255","0.0232","","","0.0498","0.0512","","","","","","1.024","","","","has coordinates","279226","2022-11-11","02:22:06",""
"7245799","14.3688","0.0011","16.6075","0.0014","24.609","0.002","90","","90","","90","","5872.4","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H66 Cl6 Co3 N6 O6 -","- C48 H66 Cl6 Co3 N6 O6 -","- C192 H264 Cl24 Co12 N24 O24 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.1363","0.0961","","","0.261","0.304","","","","","","1.06","","","","has coordinates","279226","2022-11-11","02:22:08",""
"7245800","10.264","0.003","9.025","0.003","15.089","0.006","90","","91.457","0.011","90","","1397.3","0.8","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 Cl3 N3 O3 Zn2 -","- C24 H32 Cl3 N3 O3 Zn2 -","- C48 H64 Cl6 N6 O6 Zn4 -","2","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.1161","0.0721","","","0.1713","0.1974","","","","","","1.03","","","","has coordinates","279226","2022-11-11","02:22:08",""
"7245801","24.516","0.0011","13.4214","0.0006","17.9973","0.0006","90","","109.287","0.001","90","","5589.5","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H98 Co3 N6 O17.5 -","- C36 H98 Co3 N6 O17.5 -","- C144 H392 Co12 N24 O70 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0845","0.054","","","0.1307","0.1515","","","","","","1.03","","","","has coordinates,has disorder","279226","2022-11-11","02:22:09",""
"7245802","9.134","0.0008","15.3961","0.0013","28.66","0.003","90","","90","","90","","4030.4","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 Cl2 Cu2 N4 O13 -","- C32 H43 Cl2 Cu2 N4 O13 -","- C128 H172 Cl8 Cu8 N16 O52 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","1.34138","GaKα","","0.1088","0.0909","","","0.2565","0.2746","","","","","","1.029","","","","has coordinates","279226","2022-11-11","02:22:09",""
"7245803","11.3519","0.0012","14.6691","0.0013","16.658","0.0016","90","","90","","90","","2773.9","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H45 Cl2 N3 O3 Zn -","- C18 H45 Cl2 N3 O3 Zn -","- C72 H180 Cl8 N12 O12 Zn4 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0935","0.0514","","","0.1076","0.1299","","","","","","1.026","","","","has coordinates,has disorder","279226","2022-11-11","02:22:09",""
"7245804","9.3636","0.0004","11.4375","0.0005","13.7029","0.0006","108.892","0.004","90.756","0.004","111.651","0.004","1275.75","0.11","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 N2 O6 -","- C29 H28 N2 O6 -","- C58 H56 N4 O12 -","2","1","","Chen, Zuliang; Yan, Keyi; Luo, Hui; Yan, Jun; Zeng, Yang","Lewis acid-catalyzed [4 + 2] cycloaddition of donor–acceptor cyclobutanes with iminooxindoles: access to spiro[piperidine-3,2′-oxindoles]","RSC Advances","2022","12","49","32097","32101","10.1039/D2RA04730F","","x-ray","0.71073","MoKα","","0.0544","0.0429","","","0.0944","0.1018","","","","","","1.03","","","","has coordinates","279227","2022-11-11","02:23:05",""
"7245805","8.279","0.0005","8.808","0.0005","10.5654","0.0006","110.521","0.005","98.07","0.005","95.404","0.005","705.82","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 F2 N2 O3 -","- C14 H16 F2 N2 O3 -","- C28 H32 F4 N4 O6 -","2","1","","Lu, Yang; Sun, Mingming; Xi, Ning","Effects of fluorine bonding and nonbonding interactions on 19F chemical shifts","RSC Advances","2022","12","49","32082","32096","10.1039/D2RA06660B","","","1.54178","CuKα","","0.0643","0.0549","","","0.1504","0.1617","","","","","","1.042","","","","has coordinates","279228","2022-11-11","02:23:37",""
"7245806","10.7705","0.0004","9.1548","0.0003","12.1836","0.0005","90","","108.428","0.004","90","","1139.72","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 F2 N2 O5 -","- C11 H8 F2 N2 O5 -","- C44 H32 F8 N8 O20 -","4","1","","Lu, Yang; Sun, Mingming; Xi, Ning","Effects of fluorine bonding and nonbonding interactions on 19F chemical shifts","RSC Advances","2022","12","49","32082","32096","10.1039/D2RA06660B","","","1.54178","CuKα","","0.06","0.0502","","","0.126","0.1398","","","","","","1.073","","","","has coordinates","279228","2022-11-11","02:23:38",""
"7245827","12.0911","0.0003","13.1217","0.0003","15.7545","0.0004","87.774","0.001","85.421","0.001","89.485","0.001","2489.64","0.11","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 B Cl P -","- C29 H35 B Cl P -","- C116 H140 B4 Cl4 P4 -","4","2","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Bifunctional organoboron–phosphonium catalysts for coupling reactions of CO2 and epoxides","RSC Advances","2022","12","50","32440","32447","10.1039/D2RA06358A","","","1.54178","CuKα","","0.0361","0.0331","","","0.0887","0.091","","","","","","1.038","","","","has coordinates","279278","2022-11-15","02:35:21",""
"7245828","10.031","0.0003","12.2645","0.0004","12.4476","0.0004","69.305","0.001","66.304","0.001","73.148","0.001","1292.08","0.07","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H37 B Br0.5 O P -","- C29 H37 B Br0.5 O P -","- C58 H74 B2 Br O2 P2 -","2","1","","Sengoden, Mani; Bhat, Gulzar A.; Darensbourg, Donald J.","Bifunctional organoboron–phosphonium catalysts for coupling reactions of CO2 and epoxides","RSC Advances","2022","12","50","32440","32447","10.1039/D2RA06358A","","","0.71073","MoKα","","0.0444","0.0349","","","0.1011","0.1055","","","","","","1.085","","","","has coordinates","279278","2022-11-15","02:35:22",""
"7245829","10.5716","0.0007","7.2583","0.0004","26.5198","0.0014","90","","93.924","0.006","90","","2030.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N6 Ni S4 -","- C16 H15 N6 Ni S4 -","- C64 H60 N24 Ni4 S16 -","4","1","","Feng, W. B.; Xu, W.; Duan, H. B.; Zhang, H.","Multi-step phase transition crystal with dielectric constant bistability and temperature-dependent conductivity","RSC Advances","2022","12","50","32475","32479","10.1039/D2RA05947A","","x-ray","0.71073","MoKα","","0.0388","0.0309","","","0.06","0.0644","","","","","","1.032","","","","has coordinates","279279","2022-11-15","02:35:55",""
"7245830","10.7039","0.0005","7.4586","0.0004","26.8087","0.0014","90","","93.095","0.002","90","","2137.18","0.19","353","2","353","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N6 Ni S4 -","- C16 H15 N6 Ni S4 -","- C64 H60 N24 Ni4 S16 -","4","1","","Feng, W. B.; Xu, W.; Duan, H. B.; Zhang, H.","Multi-step phase transition crystal with dielectric constant bistability and temperature-dependent conductivity","RSC Advances","2022","12","50","32475","32479","10.1039/D2RA05947A","","","0.71073","MoKα","","0.0878","0.0411","","","0.0867","0.101","","","","","","1.001","","","","has coordinates","279279","2022-11-15","02:35:56",""
"7245840","6.19","0.002","8.426","0.003","16.517","0.005","100.248","0.005","96.034","0.005","108.478","0.005","791.9","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 O P S -","- C18 H15 O P S -","- C36 H30 O2 P2 S2 -","2","1","","Li, Haoyuan; Yan, Wenjie; Ren, Peipei; Hu, Huimin; Sun, Runbo; Liu, Meixia; Fu, Zhengjiang; Guo, Shengmei; Cai, Hu","Bromide ion promoted practical synthesis of phosphinothioates of sulfinic acid derivatives and H-phosphine oxides","RSC Advances","2022","12","50","32350","32354","10.1039/D2RA06351D","","","0.71073","MoKα","","0.0581","0.0429","","","0.1047","0.1128","","","","","","1.017","","","","has coordinates","279306","2022-11-16","02:14:41",""
"7245841","11.482","0.003","6.0814","0.0017","15.777","0.005","90","","99.883","0.005","90","","1085.3","0.5","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 O2 P -","- C12 H11 O2 P -","- C48 H44 O8 P4 -","4","1","","Li, Haoyuan; Yan, Wenjie; Ren, Peipei; Hu, Huimin; Sun, Runbo; Liu, Meixia; Fu, Zhengjiang; Guo, Shengmei; Cai, Hu","Bromide ion promoted practical synthesis of phosphinothioates of sulfinic acid derivatives and H-phosphine oxides","RSC Advances","2022","12","50","32350","32354","10.1039/D2RA06351D","","","0.71073","MoKα","","0.0841","0.0705","","","0.2407","0.2568","","","","","","1.083","","","","has coordinates","279306","2022-11-16","02:14:41",""
"7245865","8.156","0.002","9.356","0.002","19.728","0.005","101.682","0.005","92.413","0.005","114.101","0.005","1332.5","0.6","294.94","","294.94","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N6 O -","- C31 H28 N6 O -","- C62 H56 N12 O2 -","2","1","","Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita","Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines","RSC Advances","2022","12","51","33032","33048","10.1039/D2RA05532E","","","0.71073","MoKα","","0.1508","0.0797","","","0.2034","0.2631","","","","","","1.014","","","","has coordinates,has disorder","279379","2022-11-18","02:26:26",""
"7245866","14.714","0.002","16.279","0.003","7.7182","0.0012","90","","94.98","0.002","90","","1841.8","0.5","296.49","","296.49","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 O -","- C24 H19 N3 O -","- C96 H76 N12 O4 -","4","1","","Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita","Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines","RSC Advances","2022","12","51","33032","33048","10.1039/D2RA05532E","","","0.71073","MoKα","","0.1106","0.0752","","","0.1957","0.234","","","","","","1.058","","","","has coordinates,has disorder","279379","2022-11-18","02:26:27",""
"7245867","11.971","0.014","14.236","0.019","12.823","0.015","90","","101.08","0.04","90","","2145","5","296.33","","296.33","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O -","- C25 H18 N6 O -","- C100 H72 N24 O4 -","4","1","","Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita","Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines","RSC Advances","2022","12","51","33032","33048","10.1039/D2RA05532E","","","0.71073","MoKα","","0.1189","0.0666","","","0.1563","0.206","","","","","","1.043","","","","has coordinates,has disorder","279379","2022-11-18","02:26:27",""
"7245868","10.4257","0.0014","13.8104","0.0017","16.57","0.002","90","","101.663","0.003","90","","2336.5","0.5","296.86","","296.86","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N6 -","- C27.9998 H21.9996 N6 -","- C111.999 H87.9984 N24 -","4","1","","Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita","Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines","RSC Advances","2022","12","51","33032","33048","10.1039/D2RA05532E","","","0.71073","MoKα","","0.0963","0.0604","","","0.1327","0.1641","","","","","","1.053","","","","has coordinates,has disorder","279379","2022-11-18","02:26:27",""
"7245869","10.0883","0.0008","12.467","0.0011","20.6411","0.0018","90","","100.785","0.002","90","","2550.2","0.4","295.94","","295.94","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N6 O3 -","- C30 H26 N6 O3 -","- C120 H104 N24 O12 -","4","1","","Polo-Cuadrado, Efraín; Rojas-Peña, Cristian; Acosta-Quiroga, Karen; Camargo-Ayala, Lorena; Brito, Iván; Cisterna, Jonathan; Moncada, Félix; Trilleras, Jorge; Rodríguez-Núñez, Yeray A.; Gutierrez, Margarita","Design, synthesis, theoretical study, antioxidant, and anticholinesterase activities of new pyrazolo-fused phenanthrolines","RSC Advances","2022","12","51","33032","33048","10.1039/D2RA05532E","","","0.71073","MoKα","","0.0913","0.0574","","","0.1366","0.1633","","","","","","1.035","","","","has coordinates,has disorder","279379","2022-11-18","02:26:27",""
"7245872","7.1229","0.0008","12.8851","0.0013","15.0472","0.0015","92.354","0.002","103.338","0.002","91.502","0.002","1341.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(2-(1<i>H</i>-indol-3-yl)ethyl)-4-benzyl-3-hydroxy-3,6- diphenylpiperazine-2,5-dione","","- C33 H29 N3 O3 -","- C33 H29 N3 O3 -","- C66 H58 N6 O6 -","2","1","","Li, Jie; Huang, Jiu Hong; Wang, Jing Ya; Xu, Zhi Gang; Chen, Zhong Zhu; Lei, Jie","An intramolecular hydrogen bond-promoted “green” Ugi cascade reaction for the synthesis of 2,5-diketopiperazines with anticancer activity","RSC Advances","2022","12","51","33175","33179","10.1039/D2RA04958A","","","0.71073","MoKα","","0.0466","0.0364","","","0.1009","0.1074","","","","","","0.964","","","","has coordinates","279453","2022-11-22","02:13:20",""
"7245873","13.7533","0.0017","20.0569","0.001","7.505","0.002","90","","90","","90","","2070.2","0.6","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H24 Mo N3 O5 -","- C20 H24 Mo N3 O5 -","- C80 H96 Mo4 N12 O20 -","4","1","","Chatterjee, Sudeshna; Ta, Sabyasachi; Khanra, Somnath; Das, Debasis","Mo(vi) complexes of amide–imine conjugates for tuning the selectivity of fluorescence recognition of Y(iii) vs. Pb(ii)","RSC Advances","2022","12","51","33293","33303","10.1039/D2RA06035C","","","0.71073","MoKα","","0.1107","0.0843","","","0.2843","0.2984","","","","","","1.28","","","","has coordinates","279454","2022-11-22","02:15:10",""
"7245874","7.7042","0.0004","16.2189","0.0008","14.9336","0.0007","90","","102.051","0.002","90","","1824.89","0.16","","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Mo N2 O5 -","- C20 H17 Mo N2 O5 -","- C80 H68 Mo4 N8 O20 -","4","1","","Chatterjee, Sudeshna; Ta, Sabyasachi; Khanra, Somnath; Das, Debasis","Mo(vi) complexes of amide–imine conjugates for tuning the selectivity of fluorescence recognition of Y(iii) vs. Pb(ii)","RSC Advances","2022","12","51","33293","33303","10.1039/D2RA06035C","","","0.71073","MoKα","","0.0362","0.0264","","","0.0654","0.0703","","","","","","1.0739","","","","has coordinates","279454","2022-11-22","02:15:11",""
"7245891","13.84","0.002","12.1903","0.0018","14.668","0.002","90","","110.697","0.004","90","","2315","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 Cl N7 O10 -","- C4 Cl N7 O10 -","- C32 Cl8 N56 O80 -","8","2","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.1089","0.0517","","","0.1041","0.1279","","","","","","0.965","","","","has coordinates,has disorder","279486","2022-11-23","02:23:13",""
"7245892","12.292","0.003","5.0976","0.001","14.985","0.003","90","","97.479","0.006","90","","931","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 O5 -","- C6 H5 Cl N4 O5 -","- C24 H20 Cl4 N16 O20 -","4","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.0572","0.0423","","","0.1127","0.1221","","","","","","1.057","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245893","15.6313","0.0015","9.2702","0.0008","15.7637","0.0014","90","","98.696","0.003","90","","2258","0.4","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H2 N8 O10 -","- C4 H2 N8 O10 -","- C32 H16 N64 O80 -","8","2","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","x-ray","0.71073","MoKα","","0.1056","0.066","","","0.1605","0.1947","","","","","","1.032","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245894","7.6403","0.0009","7.7898","0.0008","11.2231","0.0011","78.002","0.003","80.654","0.003","62.508","0.003","577.88","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H4 N6 O11 -","- C4 H4 N6 O11 -","- C8 H8 N12 O22 -","2","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.0776","0.0537","","","0.1328","0.1465","","","","","","1.021","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245895","13.9214","0.0007","6.9287","0.0003","13.9386","0.0007","90","","114.823","0.002","90","","1220.26","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 Cl N7 O10 -","- C4 Cl N7 O10 -","- C16 Cl4 N28 O40 -","4","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.0692","0.0611","","","0.1806","0.1872","","","","","","1.089","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245896","4.4834","0.0004","20.756","0.002","9.7107","0.0009","90","","97.924","0.003","90","","895.02","0.14","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N5 O5 -","- C6 H7 N5 O5 -","- C24 H28 N20 O20 -","4","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.0939","0.0501","","","0.0989","0.1227","","","","","","1.061","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245897","4.0966","0.0008","12.015","0.002","7.3348","0.0015","90","","100.207","0.006","90","","355.31","0.12","170","","170","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C4 H5 N5 O4 -","- C4 H5 N5 O4 -","- C8 H10 N10 O8 -","2","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.1031","0.0509","","","0.0957","0.1209","","","","","","1.039","","","","has coordinates","279486","2022-11-23","02:23:13",""
"7245898","8.4799","0.0007","11.5935","0.0009","10.6812","0.0008","90","","93.431","0.003","90","","1048.2","0.14","170","","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 N8 O9 -","- C4 N8 O9 -","- C16 N32 O36 -","4","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.0778","0.0484","","","0.106","0.1231","","","","","","1.1","","","","has coordinates","279486","2022-11-23","02:23:14",""
"7245899","6.2349","0.0006","19.5174","0.0018","21.975","0.002","90","","90","","90","","2674.1","0.4","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H3 N9 O12 -","- C5 H3 N9 O12 -","- C40 H24 N72 O96 -","8","1","","Ding, Lujia; Ge, Ruirong; Wang, Pengcheng; Li, Dongxue; Lin, Qiuhan; Lu, Ming; Xu, Yuangang","A series of N-trinitromethyl-substituted polynitro-pyrazoles: high-energy-density materials with positive oxygen balances","RSC Advances","2022","12","51","33304","33312","10.1039/D2RA06149J","","","0.71073","MoKα","","0.1281","0.0607","","","0.1246","0.1615","","","","","","1.048","","","","has coordinates,has disorder","279486","2022-11-23","02:23:14",""
"7245907","8.8416","0.0003","12.9176","0.0005","14.099","0.0006","112.907","0.004","93.312","0.003","107.248","0.003","1388.86","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N3 O8 Yb -","- C31 H30 N3 O8 Yb -","- C62 H60 N6 O16 Yb2 -","2","1","","Si, Xuezhen; Pan, Xuze; Xue, Jintang; Yao, Qingxia; Huang, Xianqiang; Duan, Wenzeng; Qiu, Yi; Su, Jie; Cao, Minglei; Li, Jun","Robust acid–base Ln-MOFs: searching for efficient catalysts in cycloaddition of CO2 with epoxides and cascade deacetalization–Knoevenagel reactions","RSC Advances","2022","12","52","33501","33509","10.1039/D2RA06545B","","x-ray","0.71073","MoKα","","0.0442","0.04","","","0.0974","0.1007","","","","","","1.02","","","","has coordinates","279522","2022-11-24","02:11:55",""
"7245908","8.8772","0.0003","12.958","0.0003","14.1742","0.0003","113.037","0.002","93.343","0.002","106.968","0.002","1407.29","0.07","180","0.1","180","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N3 O8 Tb -","- C31 H30 N3 O8 Tb -","- C62 H60 N6 O16 Tb2 -","2","1","","Si, Xuezhen; Pan, Xuze; Xue, Jintang; Yao, Qingxia; Huang, Xianqiang; Duan, Wenzeng; Qiu, Yi; Su, Jie; Cao, Minglei; Li, Jun","Robust acid–base Ln-MOFs: searching for efficient catalysts in cycloaddition of CO2 with epoxides and cascade deacetalization–Knoevenagel reactions","RSC Advances","2022","12","52","33501","33509","10.1039/D2RA06545B","","x-ray","0.71073","MoKα","","0.0275","0.0249","","","0.0554","0.057","","","","","","1.041","","","","has coordinates","279522","2022-11-24","02:11:56",""
"7245909","15.4709","0.0014","8.1826","0.001","23.466","0.004","90","","99.59","0.01","90","","2929.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Br8 Cd N3 -","- C18 H21 Br8 Cd N3 -","- C72 H84 Br32 Cd4 N12 -","4","1","","Gassara, Mahdi; Msalmi, Rawia; Liu, Xinghui; Hassen, Fredj; Moliterni, Anna; Ben Hamadi, Naoufel; Guesmi, Ahlem; Khezami, Lotfi; Soltani, Taoufik; Naïli, Houcine","A promising 1D Cd-based hybrid perovskite-type for white-light emission with high-color-rendering index","RSC Advances","2022","12","52","33516","33524","10.1039/D2RA04676H","","","0.71073","MoKα","","0.0895","0.0364","","","0.0727","0.0914","","","","","","1.098","","","","has coordinates","279523","2022-11-24","02:12:27",""
"7245920","7.1354","0.0014","9.3422","0.0019","10.662","0.002","64.51","0.03","72.84","0.03","79.91","0.03","612","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 N10 O8 Zn -","- C16 H20 N10 O8 Zn -","- C16 H20 N10 O8 Zn -","1","0.5","","Tan, Li-Tao; Shen, Ting-Xiao; Jiang, Jing-Yi; Zhong, Yu-Jie; Lin, Fang-Qi; Xue, Hong; Yao, Yu-Xin; Jiang, Xin; Shen, Lei; He, Xin","Bifunctional tetrazole–carboxylate ligand based Zn(ii) complexes: synthesis and their excellent potential anticancer properties","RSC Advances","2022","12","52","33808","33815","10.1039/D2RA04768C","","","0.71073","MoKα","","0.0635","0.0496","","","0.1339","0.1432","","","","","","0.997","","","","has coordinates","279580","2022-11-26","02:09:15",""
"7245921","10.823","0.002","11.011","0.002","16.851","0.003","78.57","0.03","73.87","0.03","80.02","0.03","1875.9","0.7","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H35 N15 O12 Zn -","- C31 H35 N15 O12 Zn -","- C62 H70 N30 O24 Zn2 -","2","1","","Tan, Li-Tao; Shen, Ting-Xiao; Jiang, Jing-Yi; Zhong, Yu-Jie; Lin, Fang-Qi; Xue, Hong; Yao, Yu-Xin; Jiang, Xin; Shen, Lei; He, Xin","Bifunctional tetrazole–carboxylate ligand based Zn(ii) complexes: synthesis and their excellent potential anticancer properties","RSC Advances","2022","12","52","33808","33815","10.1039/D2RA04768C","","","0.71073","MoKα","","0.1021","0.0729","","","0.2262","0.2488","","","","","","0.971","","","","has coordinates","279580","2022-11-26","02:09:15",""
"7245943","24.902","0.007","11.539","0.003","16.25","0.006","90","","127.33","0.017","90","","3713","2","222","2","221.68","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 N8 Ni O4 -","- C42 H34 N8 Ni O4 -","- C168 H136 N32 Ni4 O16 -","4","0.5","","Sharma, Vanshika; Sahu, Meman; Manna, Amit Kumar; De, Dinesh; Patra, Goutam Kumar","A quinazolin-based Schiff-base chemosensor for colorimetric detection of Ni2+ and Zn2+ ions and ‘turn-on’ fluorometric detection of Zn2+ ion","RSC Advances","2022","12","53","34226","34235","10.1039/D2RA05564C","","","0.71073","MoKα","","0.1542","0.0978","","","0.1692","0.1924","","","","","","1.073","","","","has coordinates","279664","2022-12-01","02:09:37",""
"7245948","12.2805","0.0009","13.6365","0.0009","14.6021","0.001","96.069","0.001","102.032","0.002","92.269","0.002","2373.4","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H37 Cl4 F15 N4 P Rh Sb2 -","- C39 H37 Cl4 F15 N4 P Rh Sb2 -","- C78 H74 Cl8 F30 N8 P2 Rh2 Sb4 -","2","1","","Tejero, Alvaro G.; Carmona, María; Rodríguez, Ricardo; Viguri, Fernando; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Synthesis of chiral-at-metal rhodium complexes from achiral tripodal tetradentate ligands: resolution and application to enantioselective Diels–Alder and 1,3-dipolar cycloadditions","RSC Advances","2022","12","53","34704","34714","10.1039/D2RA06982B","","","0.71073","MoKα","","0.08","0.0485","","","0.1051","0.118","","","","","","1.016","","","","has coordinates","279682","2022-12-03","02:00:35",""
"7245957","6.6262","0.0003","7.4872","0.0004","19.2803","0.001","87.424","0.002","87.609","0.002","71.455","0.002","905.56","0.08","120","2","120.02","","","","","","","","","4","P -1","-P 1","2","chalcone analogue","(2E)-3-(4-bromophenyl)-1-[4-(2-oxo-2-phenylethoxy)phenyl]prop-2-en-1-one","","- C23 H17 Br O3 -","- C23 H17 Br O3 -","- C46 H34 Br2 O6 -","2","1","","Borges, Igor D.; Faria, Eduardo C. M.; Custódio, Jean F. M.; Duarte, Vitor S.; Fernandes, Fernanda S.; Alonso, Christian G.; Sanches-Neto, Flávio O.; Carvalho-Silva, Valter H.; Oliveira, Guilherme R.; Napolitano, Hamilton B.","Insights into chalcone analogues with potential as antioxidant additives in diesel–biodiesel blends","RSC Advances","2022","12","53","34746","34759","10.1039/D2RA07300E","","","0.71073","MoKα","","0.0447","0.0327","","","0.0705","0.0746","","","","","","1.011","","","","has coordinates","279719","2022-12-06","02:14:39",""
"7245958","7.3047","0.0012","11.062","0.002","22.299","0.004","90","","98.363","0.003","90","","1782.7","0.5","120","2","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","chalcone analogue","(2E)-3-(3-nitrophenyl)-1-[4-(2-oxo-2-phenylethoxy)phenyl]prop-2-en-1-one","","- C23 H17 N O5 -","- C23 H17 N O5 -","- C92 H68 N4 O20 -","4","1","","Borges, Igor D.; Faria, Eduardo C. M.; Custódio, Jean F. M.; Duarte, Vitor S.; Fernandes, Fernanda S.; Alonso, Christian G.; Sanches-Neto, Flávio O.; Carvalho-Silva, Valter H.; Oliveira, Guilherme R.; Napolitano, Hamilton B.","Insights into chalcone analogues with potential as antioxidant additives in diesel–biodiesel blends","RSC Advances","2022","12","53","34746","34759","10.1039/D2RA07300E","","","0.71073","MoKα","","0.0509","0.0373","","","0.0981","0.1058","","","","","","1.019","","","","has coordinates","279719","2022-12-06","02:14:40",""
"7245975","12.0771","0.0004","19.0403","0.0007","20.1521","0.0008","90","","90","","90","","4634","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H19 F3 N2 O3 -","- C27 H19 F3 N2 O3 -","- C216 H152 F24 N16 O24 -","8","1","","Prasad, Madavi S.; Bharani, Sankar; Sharief, Syed Mastan; Ravi, Mudavath; Sivaprakash, Murugesan; Borah, Biplob; Chowhan, L. Raju","DABCO-promoted highly diastereo- and regioselective construction of C-3 functionalized spirooxindoles via [3 + 2] cycloaddition of 2-aryl/heteroarylidene-1H-indene-1,3(2H)-diones with N-2,2,2-trifluoroethylisatin ketimines at ambient conditions","RSC Advances","2022","12","54","34941","34945","10.1039/D2RA07141J","","","0.71073","MoKα","","0.1227","0.0447","","","0.0984","0.1421","","","","","","1.106","","","","has coordinates","279757","2022-12-07","02:25:18",""
"7245976","11.3188","0.0013","7.2613","0.0009","14.983","0.002","90","","95.858","0.012","90","","1225","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 N3 O9 S -","- C23 H25 N3 O9 S -","- C46 H50 N6 O18 S2 -","2","1","","Hua, Xiu-Ni; Pan, Xia; Zhu, Yang; Cai, Zhuoer; Song, Qi; Li, Yaozhenhui; Feng, Wenbin; Chen, Xin; Zhang, Hui; Sun, Baiwang","Novel pharmaceutical salts of cephalexin with organic counterions: structural analysis and properties","RSC Advances","2022","12","54","34843","34850","10.1039/D2RA05565A","","","0.71073","MoKα","","0.0591","0.0436","","","0.101","0.108","","","","","","0.998","","","","has coordinates","279758","2022-12-07","02:26:10",""
"7245977","30.1649","0.0013","7.7132","0.0003","10.9391","0.0004","90","","95.377","0.001","90","","2533.98","0.17","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C46 H50 Cl2 N6 O17 S2 -","- C46 H50 Cl2 N6 O17 S2 -","- C92 H100 Cl4 N12 O34 S4 -","2","0.5","","Hua, Xiu-Ni; Pan, Xia; Zhu, Yang; Cai, Zhuoer; Song, Qi; Li, Yaozhenhui; Feng, Wenbin; Chen, Xin; Zhang, Hui; Sun, Baiwang","Novel pharmaceutical salts of cephalexin with organic counterions: structural analysis and properties","RSC Advances","2022","12","54","34843","34850","10.1039/D2RA05565A","","","0.71073","MoKα","","0.0523","0.0472","","","0.1124","0.1164","","","","","","1.091","","","","has coordinates","279758","2022-12-07","02:26:10",""
"7245978","14.7579","0.0009","7.0785","0.0003","27.0868","0.0016","90","","97.464","0.002","90","","2805.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H31 N3 O14 S2 -","- C23 H31 N3 O14 S2 -","- C92 H124 N12 O56 S8 -","4","2","","Hua, Xiu-Ni; Pan, Xia; Zhu, Yang; Cai, Zhuoer; Song, Qi; Li, Yaozhenhui; Feng, Wenbin; Chen, Xin; Zhang, Hui; Sun, Baiwang","Novel pharmaceutical salts of cephalexin with organic counterions: structural analysis and properties","RSC Advances","2022","12","54","34843","34850","10.1039/D2RA05565A","","","0.71073","MoKα","","0.0639","0.0567","","","0.1241","0.128","","","","","","1.149","","","","has coordinates","279758","2022-12-07","02:26:11",""
"7245979","19.6617","0.0011","6.5542","0.0004","20.6217","0.0011","90","","100.086","0.005","90","","2616.4","0.3","113.15","","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H23 B F2 N2 O -","- C19 H23 B F2 N2 O -","- C114 H138 B6 F12 N12 O6 -","6","3","","Ikeshita, Masahiro; He, Hongxi; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","External environment sensitive circularly polarized luminescence properties of a chiral boron difluoride complex","RSC Advances","2022","12","53","34790","34796","10.1039/D2RA07386B","","","0.71073","MoKα","","0.1213","0.0461","","","0.1242","0.1626","","","","","","1.002","","","","has coordinates","279760","2022-12-07","02:27:26",""
"7245984","9.7052","0.0019","13.015","0.003","19.712","0.004","90","","90","","90","","2489.9","0.9","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Cl N4 O5 -","- C27 H27 Cl N4 O5 -","- C108 H108 Cl4 N16 O20 -","4","1","","Alizadeh, Abdolali; Bagherinejad, Akram; Kayanian, Jasmine; Vianello, Robert","An expedient metal-free cascade route to chromonyl diene scaffolds: thermodynamic vs. kinetic control","RSC Advances","2022","12","54","34946","34950","10.1039/D2RA05704B","","x-ray","0.71073","MoKα","","0.0524","0.049","","","0.1234","0.1247","","","","","","1.079","","","","has coordinates","279801","2022-12-08","02:19:02",""
"7245985","15.3911","0.0004","18.7389","0.0005","16.7383","0.0004","90","","110.494","0.002","90","","4522","0.2","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(N-butylpyridinium) tetrachlorido-0.5-cobaltate(II)-0.5-nickelate(II)","","- C36 H56 Cl8 Co N4 Ni -","- C36 H56 Cl8 Co N4 Ni -","- C144 H224 Cl32 Co4 N16 Ni4 -","4","1","","Behrens, Karsten; Balischewski, Christian; Sperlich, Eric; Menski, Antonia; Balderas-Valadez, Ruth Fabiola; Pacholski, Claudia; Günter, Christina; Lubahn, Susanne; Kelling, Alexandra; Taubert, Andreas","Mixed chloridometallate(ii) ionic liquids with tunable color and optical response for potential ammonia sensors","RSC Advances","2022","12","54","35072","35082","10.1039/D2RA05581C","","","0.71073","MoKα","","0.0409","0.0251","","","0.0561","0.0598","","","","","","0.923","","","","has coordinates,has disorder","279815","2022-12-09","02:13:41",""
"7245986","15.4965","0.0003","18.4666","0.0004","16.7917","0.0003","90","","110.529","0.001","90","","4500.08","0.16","210","2","210","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(N-butylpyridinium) tetrachloridonickelate(II)","","- C18 H28 Cl4 N2 Ni -","- C18 H28 Cl4 N2 Ni -","- C144 H224 Cl32 N16 Ni8 -","8","2","","Behrens, Karsten; Balischewski, Christian; Sperlich, Eric; Menski, Antonia; Balderas-Valadez, Ruth Fabiola; Pacholski, Claudia; Günter, Christina; Lubahn, Susanne; Kelling, Alexandra; Taubert, Andreas","Mixed chloridometallate(ii) ionic liquids with tunable color and optical response for potential ammonia sensors","RSC Advances","2022","12","54","35072","35082","10.1039/D2RA05581C","","","0.71073","MoKα","","0.0304","0.0262","","","0.0703","0.0721","","","","","","1.035","","","","has coordinates","279815","2022-12-09","02:13:42",""
"7245987","15.3694","0.0004","18.7506","0.0005","16.7373","0.0004","90","","110.442","0.002","90","","4519.7","0.2","210","2","210","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(N-butylpyridinium) tetrachlorido-0.46-cobaltate(II)-0.54-zincate(II)","","- C18 H28 Cl4 Co0.46 N2 Zn0.54 -","- C18 H28 Cl4 Co0.4585 N2 Zn0.5415 -","- C144 H224 Cl32 Co3.668 N16 Zn4.332 -","8","2","","Behrens, Karsten; Balischewski, Christian; Sperlich, Eric; Menski, Antonia; Balderas-Valadez, Ruth Fabiola; Pacholski, Claudia; Günter, Christina; Lubahn, Susanne; Kelling, Alexandra; Taubert, Andreas","Mixed chloridometallate(ii) ionic liquids with tunable color and optical response for potential ammonia sensors","RSC Advances","2022","12","54","35072","35082","10.1039/D2RA05581C","","","0.71073","MoKα","","0.0341","0.0231","","","0.0553","0.0579","","","","","","0.971","","","","has coordinates,has disorder","279815","2022-12-09","02:13:42",""
"7245988","15.07","0.003","9.7398","0.0013","22.418","0.003","90","","97.637","0.008","90","","3261.3","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N2 O2 -","- C43 H32 N2 O2 -","- C172 H128 N8 O8 -","4","1","","Pauk, Karel; Luňák, Stanislav; R°užička, Aleš; Marková, Aneta; Teichmanová, Kateřina; Mausová, Anna; Kratochvíl, Matouš; Smolka, Rastislav; Mikysek, Tomáš; Weiter, Martin; Imramovský, Aleš; Vala, Martin","Colour-tuneable solid-state fluorescence of crystalline powders formed from push–pull substituted 2,5-diphenyl-stilbenes","RSC Advances","2022","12","54","34797","34807","10.1039/D2RA05593G","","","0.71073","MoKα","","0.1561","0.1037","","","0.135","0.1471","","","","","","1.192","","","","has coordinates","279816","2022-12-09","02:14:49",""
"7245989","8.614","0.002","19.486","0.004","20.323","0.004","90","","90","","90","","3411.3","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H35 N O4 -","- C44 H35 N O4 -","- C176 H140 N4 O16 -","4","1","","Pauk, Karel; Luňák, Stanislav; R°užička, Aleš; Marková, Aneta; Teichmanová, Kateřina; Mausová, Anna; Kratochvíl, Matouš; Smolka, Rastislav; Mikysek, Tomáš; Weiter, Martin; Imramovský, Aleš; Vala, Martin","Colour-tuneable solid-state fluorescence of crystalline powders formed from push–pull substituted 2,5-diphenyl-stilbenes","RSC Advances","2022","12","54","34797","34807","10.1039/D2RA05593G","","","0.71073","MoKα","","0.0926","0.0623","","","0.0901","0.0968","","","","","","1.042","","","","has coordinates","279816","2022-12-09","02:14:50",""
"7245993","16.6597","0.0009","9.1073","0.0004","10.5974","0.0006","90","","94.571","0.005","90","","1602.78","0.14","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Tong, Zhou; Peng, Xinju; Tang, Zhi; Yang, Weijun; Deng, Wei; Yin, Shuang-Feng; Kambe, Nobuaki; Qiu, Renhua","DTBP-mediated cross-dehydrogenative coupling of 3-aryl benzofuran-2(3H)-ones with toluenes/phenols for all-carbon quaternary centers","RSC Advances","2022","12","54","35215","35220","10.1039/D2RA06231C","","x-ray","0.71073","MoKα","","0.0331","0.0322","","","0.075","0.0758","","","","","","1.059","","","","has coordinates","279830","2022-12-10","02:02:40",""
"7246002","7.8726","0.0003","9.191","0.0003","11.7294","0.0004","96.235","0.001","104.854","0.001","112.333","0.001","738.39","0.05","193","2","193.02","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N6 O14 Zn2 -","- C26 H26 N6 O14 Zn2 -","- C26 H26 N6 O14 Zn2 -","1","0.5","","Saeed, Aasim; Zhang, Xiao-Yu; Huang, Zi-Qing; Zhao, Xin-Yang; Xu, Lei; Zhao, Yue; Sun, Wei-Yin; Zhao, Jing","Metal–organic frameworks incorporating azobenzene-based ligands as a heterogeneous Lewis-acid catalyst for cyanosilylation of imines","RSC Advances","2022","12","54","35461","35468","10.1039/D2RA06858C","","","1.34139","GaKα","","0.0401","0.0377","","","0.1033","0.1053","","","","","","1.028","","","","has coordinates","279851","2022-12-13","02:21:45",""
"7246003","7.5893","0.0008","9.8529","0.0011","12.2846","0.0013","100.78","0.004","99.296","0.003","109.467","0.004","825.58","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cd N3 O5 -","- C13 H9 Cd N3 O5 -","- C26 H18 Cd2 N6 O10 -","2","1","","Saeed, Aasim; Zhang, Xiao-Yu; Huang, Zi-Qing; Zhao, Xin-Yang; Xu, Lei; Zhao, Yue; Sun, Wei-Yin; Zhao, Jing","Metal–organic frameworks incorporating azobenzene-based ligands as a heterogeneous Lewis-acid catalyst for cyanosilylation of imines","RSC Advances","2022","12","54","35461","35468","10.1039/D2RA06858C","","x-ray","0.71073","MoKα","","0.0316","0.028","","","0.0697","0.0716","","","","","","1.047","","","","has coordinates","279851","2022-12-13","02:21:46",""
"7246004","17.9808","0.0007","10.9396","0.0003","10.3118","0.0004","90","","106.198","0.001","90","","1947.84","0.12","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 F O5 S -","- C21 H19 F O5 S -","- C84 H76 F4 O20 S4 -","4","1","","Cheng, Xiufang; Wang, Shuo; Wei, Yibo; Wang, Huamin; Lin, Ying-Wu","Metal-free hydrosulfonylation of α,β-unsaturated ketones: synthesis and application of γ-keto sulfones","RSC Advances","2022","12","55","35649","35654","10.1039/D2RA06784F","","","0.71073","MoKα","","0.0465","0.0383","","","0.0901","0.0964","","","","","","1.049","","","","has coordinates,has disorder","279885","2022-12-14","02:14:22",""
"7246007","20.758","0.006","11.022","0.003","21.396","0.006","90","","90","","90","","4895","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H42 Cd4 N6 O12 S2 -","- C42 H42 Cd4 N6 O12 S2 -","- C168 H168 Cd16 N24 O48 S8 -","4","0.5","","Majumdar, Dhrubajyoti; Roy, Sourav; Frontera, Antonio","The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering","RSC Advances","2022","12","55","35860","35872","10.1039/D2RA07080D","","","0.71073","MoKα","","0.0891","0.068","","","0.1402","0.1518","","","","","","1.196","","","","has coordinates","279921","2022-12-16","02:01:49",""
"7246008","20.758","0.006","11.022","0.003","21.396","0.006","90","","90","","90","","4895","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44 H46 Cd4 N6 O12 S2 -","- C44 H46 Cd4 N6 O12 S2 -","- C176 H184 Cd16 N24 O48 S8 -","4","0.5","","Majumdar, Dhrubajyoti; Roy, Sourav; Frontera, Antonio","The importance of tetrel bonding interactions with carbon in two arrestive iso-structural Cd(ii)–Salen coordination complexes: a comprehensive DFT overview in crystal engineering","RSC Advances","2022","12","55","35860","35872","10.1039/D2RA07080D","","","0.71073","MoKα","","0.0881","0.0672","","","0.1368","0.1482","","","","","","1.177","","","","has coordinates","279921","2022-12-16","02:01:49",""
"7246030","8.314","0.0017","11.697","0.002","15.79","0.003","90","","98.79","0.03","90","","1517.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 Co N2 O -","- C14 H16 Cl2 Co N2 O -","- C56 H64 Cl8 Co4 N8 O4 -","4","1","","Kim, Kyeonghun; Nayab, Saira; Cho, Yerim; Jung, Hyewon; Yeo, Hyeonuk; Lee, Hyosun; Lee, Sang-Ho","Catalytic performance of tridentate versus bidentate Co(ii) complexes supported by Schiff base ligands in vinyl addition polymerization of norbornene","RSC Advances","2022","12","55","35896","35904","10.1039/D2RA07241F","","","0.65","synchrotron","","0.0407","0.039","","","0.1101","0.1122","","","","","","0.765","","","","has coordinates","280001","2022-12-22","02:03:21",""
"7246031","9.771","0.0019","11.046","0.002","12.622","0.003","90","","108.05","0.03","90","","1295.3","0.5","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cl2 Co N2 S -","- C9 H14 Cl2 Co N2 S -","- C36 H56 Cl8 Co4 N8 S4 -","4","1","","Kim, Kyeonghun; Nayab, Saira; Cho, Yerim; Jung, Hyewon; Yeo, Hyeonuk; Lee, Hyosun; Lee, Sang-Ho","Catalytic performance of tridentate versus bidentate Co(ii) complexes supported by Schiff base ligands in vinyl addition polymerization of norbornene","RSC Advances","2022","12","55","35896","35904","10.1039/D2RA07241F","","","0.63","synchrotron","","0.0898","0.0673","","","0.2109","0.2252","","","","","","1.145","","","","has coordinates","280001","2022-12-22","02:03:22",""
"8000473","13.7963","0.0005","12.6757","0.0004","13.3735","0.0005","90","","98.305","0.0012","90","","2314.2","0.14","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound 3","7,12-dicyano-3,16-dimethoxyheptahelicene","","- C34 H20 N2 O2 -","- C34 H20 N2 O2 -","- C136 H80 N8 O8 -","4","0.5","","Kubo, Hiromu; Hirose, Takashi; Nakashima, Takuya; Kawai, Tsuyoshi; Hasegawa, Jun-Ya; Matsuda, Kenji","Tuning Transition Electric and Magnetic Dipole Moments: [7]Helicenes Showing Intense Circularly Polarized Luminescence.","The journal of physical chemistry letters","2021","12","1","686","695","10.1021/acs.jpclett.0c03174","","","0.71075","MoKα","","0.0414","0.039","","","0.1092","0.1117","","","","","","1.038","","","","has coordinates","261494","2021-02-04","03:02:30",""
"8000474","6.9687","0.0002","29.4628","0.0009","9.8722","0.0004","90","","96.084","0.001","90","","2015.52","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C96 H100 N12 O4 -","4","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0653","0.0464","","","0.1146","0.1316","","","","","","1.041","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000475","17.7928","0.0005","6.5327","0.0002","24.6135","0.0007","90","","98.498","0.001","90","","2829.54","0.14","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N4 O -","- C36 H34 N4 O -","- C144 H136 N16 O4 -","4","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0691","0.0449","","","0.101","0.1173","","","","","","1.047","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000476","11.3082","0.0005","24.3551","0.001","11.4415","0.0005","90","","114.665","0.001","90","","2863.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N4 O -","- C36 H32 N4 O -","- C144 H128 N16 O4 -","4","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0833","0.0512","","","0.1133","0.1317","","","","","","1.048","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000477","12.6111","0.0005","7.5598","0.0003","15.0851","0.0006","90","","100.886","0.001","90","","1412.29","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 O -","- C36 H32 N4 O -","- C72 H64 N8 O2 -","2","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0469","0.0379","","","0.091","0.0981","","","","","","1.053","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000478","17.1753","0.001","10.1401","0.0006","17.1948","0.001","90","","119.018","0.0013","90","","2618.7","0.3","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl6 F N3 O4 Sn -","- C19 H26 Cl6 F N3 O4 Sn -","- C76 H104 Cl24 F4 N12 O16 Sn4 -","4","1","","Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo","Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides.","The journal of physical chemistry letters","2021","12","7","1918","1925","10.1021/acs.jpclett.1c00182","","","0.71073","MoKα","","0.0966","0.0698","","","0.1324","0.1428","","","","","","1.088","","","","has coordinates","262451","2021-03-04","02:56:27",""
"8000479","8.0389","0.001","20.632","0.002","17.359","0.002","90","","101.95","0.002","90","","2816.7","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl6 F N3 O4 Pb2 -","- C19 H26 Cl6 F N3 O4 Pb2 -","- C76 H104 Cl24 F4 N12 O16 Pb8 -","4","1","","Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo","Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides.","The journal of physical chemistry letters","2021","12","7","1918","1925","10.1021/acs.jpclett.1c00182","","","0.71073","MoKα","","0.0713","0.0464","","","0.1066","0.1211","","","","","","1.012","","","","has coordinates","262451","2021-03-04","02:56:30",""
"8000480","7.987","0.003","14.188","0.005","14.544","0.005","70.746","0.008","89.925","0.009","76.317","0.009","1506.5","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H22 Bi Cl6 F N3 O6 -","- C19 H28 Bi Cl6 F N3 O6 -","- C38 H56 Bi2 Cl12 F2 N6 O12 -","2","1","","Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo","Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides.","The journal of physical chemistry letters","2021","12","7","1918","1925","10.1021/acs.jpclett.1c00182","","","0.71073","MoKα","","0.1163","0.0625","","","0.1503","0.1804","","","","","","0.896","","","","has coordinates","262451","2021-03-04","02:56:32",""
"8000483","18.589","0.004","7.6364","0.0016","13.203","0.003","90","","90","","90","","1874.2","0.7","296","2","296.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi Cl Cs -","- Bi0.444444 Cl2 Cs0.666667 -","- Bi8 Cl36 Cs12 -","18","2.25","","Tailor, Naveen Kumar; Maity, Partha; Saidaminov, Makhsud I.; Pradhan, Narayan; Satapathi, Soumitra","Dark Self-Healing-Mediated Negative Photoconductivity of a Lead-Free Cs<sub>3</sub>Bi<sub>2</sub>Cl<sub>9</sub> Perovskite Single Crystal.","The journal of physical chemistry letters","2021","12","9","2286","2292","10.1021/acs.jpclett.1c00057","","","0.71073","MoKα","","0.1152","0.0875","","","0.2531","0.2755","","","","","","1.09","","","","has coordinates","263604","2021-04-04","10:03:57",""
"8000484","16.9314","0.0009","11.7303","0.0012","41.194","0.0008","90","","90","","90","","8181.6","1","","","","","","","","","","","","5","P 1","P 1","1","","","","- C H6 Br3 N Pb -","- C10.1674 H60 Br30 N10.1674 Pb17.25 -","- C40.6694 H240 Br120 N40.6694 Pb69 -","4","4","","Wiedemann, Dennis; Breternitz, Joachim; Paley, Daniel W.; Schorr, Susan","Hybrid Perovskite at Full Tilt: Structure and Symmetry Relations of the Incommensurately Modulated Phase of Methylammonium Lead Bromide, MAPbBr<sub>3</sub>.","The journal of physical chemistry letters","2021","12","9","2358","2362","10.1021/acs.jpclett.0c03722","","","","","","","","","","","","","","","","","","","","","has coordinates","263603","2021-04-04","10:03:51",""
"8000485","9.43162","0.00016","11.06107","0.00018","17.6072","0.0003","90","","94.7508","0.0016","90","","1830.54","0.05","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.0543","0.0449","","","0.1208","0.1296","","","","","","1.039","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000486","9.39192","0.00017","16.751","0.0003","12.0917","0.0002","90","","106.29","0.002","90","","1825.95","0.06","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.0441","0.0376","","","0.1043","0.1098","","","","","","1.07","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000487","10.2793","0.0002","13.5906","0.0003","13.2253","0.0003","90","","102.19","0.002","90","","1805.94","0.07","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.0472","0.0388","","","0.1003","0.1072","","","","","","1.033","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000488","31.8745","0.0012","31.8745","0.0012","10.1687","0.0005","90","","90","","120","","8947.1","0.6","290","2","290","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C450 H288 N36 -","18","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.082","0.0477","","","0.1132","0.128","","","","","","0.979","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000489","20.4508","0.0003","11.98222","0.00013","16.482","0.0002","90","","112.763","0.0016","90","","3724.26","0.09","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C200 H152 N8 O8 -","8","2","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","x-ray","1.54184","CuKα","","0.0445","0.0377","","","0.1021","0.1086","","","","","","1.02","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000490","11.0496","0.0002","12.7223","0.0002","11.0073","0.0002","90","","99.6402","0.0019","90","","1525.52","0.05","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.045","0.0391","","","0.1042","0.1134","","","","","","1.055","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000492","9.9272","0.0003","22.2895","0.0004","10.1168","0.0003","90","","118.872","0.004","90","","1960.32","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N5 O -","- C23 H21 N5 O -","- C92 H84 N20 O4 -","4","1","","Zhao, Jianjian; Zhang, Peng; Qiao, Hongwei; Hao, Aiyou; Xing, Pengyao","Supramolecular Chirality Suppresses Molecular Chirality: Selective Chiral Recognition in Hierarchically Coassembled Pyridine-Benzimidazole Conjugates with Precise ee% Detection.","The journal of physical chemistry letters","2021","12","11","2912","2921","10.1021/acs.jpclett.1c00548","","x-ray","1.54184","CuKα","","0.0789","0.0697","","","0.1735","0.1805","","","","","","1.052","","","","has coordinates,has disorder","263568","2021-04-04","09:05:53",""
"8000493","3.93525","0.00014","29.2968","0.0011","14.6279","0.0006","90","","95.143","0.003","90","","1679.66","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N5 O -","- C19 H15 N5 O -","- C76 H60 N20 O4 -","4","1","","Zhao, Jianjian; Zhang, Peng; Qiao, Hongwei; Hao, Aiyou; Xing, Pengyao","Supramolecular Chirality Suppresses Molecular Chirality: Selective Chiral Recognition in Hierarchically Coassembled Pyridine-Benzimidazole Conjugates with Precise ee% Detection.","The journal of physical chemistry letters","2021","12","11","2912","2921","10.1021/acs.jpclett.1c00548","","x-ray","1.54184","CuKα","","0.0968","0.0705","","","0.1882","0.2079","","","","","","1.045","","","","has coordinates,has disorder","263569","2021-04-04","09:06:20",""
"8000494","4.8893","0.001","15.372","0.003","19.518","0.004","67.58","0.03","89.54","0.03","87.55","0.03","1354.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H32 F16 I2 N4 -","- C62 H32 F16 I2 N4 -","- C62 H32 F16 I2 N4 -","1","0.5","","Ding, Zeyang; Shang, Hongxing; Geng, Yijia; Zhang, Shi-Tong; Huo, Zepeng; Yang, Zairan; Li, Bao; Xu, Weiqing; Jiang, Shimei","Tuning Organic Microcrystal Morphologies through Crystal Engineering Strategies toward Anisotropic Optical Waveguide.","The journal of physical chemistry letters","2021","12","19","4585","4592","10.1021/acs.jpclett.1c00769","","","0.71073","MoKα","","0.0584","0.0467","","","0.1426","0.1474","","","","","","1.09","","","","has coordinates,has disorder","265763","2021-06-04","01:04:05",""
"8000495","14.799","0.003","9.962","0.002","15.092","0.003","90","","90.54","0.03","90","","2224.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F6 N2 -","- C28 H16 F6 N2 -","- C112 H64 F24 N8 -","4","1","","Ding, Zeyang; Shang, Hongxing; Geng, Yijia; Zhang, Shi-Tong; Huo, Zepeng; Yang, Zairan; Li, Bao; Xu, Weiqing; Jiang, Shimei","Tuning Organic Microcrystal Morphologies through Crystal Engineering Strategies toward Anisotropic Optical Waveguide.","The journal of physical chemistry letters","2021","12","19","4585","4592","10.1021/acs.jpclett.1c00769","","","0.71073","MoKα","","0.068","0.0553","","","0.1638","0.1737","","","","","","1.092","","","","has coordinates","265763","2021-06-04","01:04:07",""
"8000496","11.5969","0.0005","13.4458","0.0006","15.9778","0.0009","90","","107.103","0.008","90","","2381.2","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,3',6,6'-tetramethoxybianthrone","3,3',6,6'-tetramethoxy-10H,10'H-[9,9'-bianthracenylidene]-10,10'-dione","","- C32 H24 O6 -","- C32 H24 O6 -","- C128 H96 O24 -","4","0.5","","Hamamoto, Yosuke; Hirao, Yasukazu; Kubo, Takashi","Biradicaloid Behavior of a Twisted Double Bond.","The journal of physical chemistry letters","2021","12","19","4729","4734","10.1021/acs.jpclett.1c00664","","","0.71075","MoKα","","0.0533","0.0399","","","0.1003","0.107","","","","","","1.028","","","","has coordinates","265762","2021-06-04","01:03:53",""
"8000497","6.7405","0.0002","38.8619","0.0013","19.7039","0.0007","90","","93.159","0.003","90","","5153.6","0.3","93.15","","93.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,3',6,6'-tetra-n-octoxybianthrone (Twisted conformer)","3,3',6,6'-tetraoctoxy-10H,10'H-[9,9'-bianthracenylidene]-10,10'-dione","","- C60 H80 O6 -","- C60 H80 O6 -","- C240 H320 O24 -","4","1","","Hamamoto, Yosuke; Hirao, Yasukazu; Kubo, Takashi","Biradicaloid Behavior of a Twisted Double Bond.","The journal of physical chemistry letters","2021","12","19","4729","4734","10.1021/acs.jpclett.1c00664","","x-ray","1.54184","CuKα","","0.1462","0.1102","","","0.3056","0.3269","","","","","","1.034","","","","has coordinates,has disorder","265762","2021-06-04","01:03:55",""
"8000498","8.3262","0.0007","39.247","0.004","8.3629","0.0008","90","","90","","90","","2732.8","0.4","296.8","0.1","296.8","0.1","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.5","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1222","0.0773","","","0.1915","0.2213","","","","","","1.09","","","","has coordinates","265764","2021-06-04","01:04:17",""
"8000499","8.325","0.0006","42.717","0.004","8.325","0.0008","90","","90","","90","","2960.5","0.5","297.13","0.1","297.13","0.1","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C11 H37 Br7 N4 Pb2 -","- C11 H37 Br7 N4 Pb2 -","- C44 H148 Br28 N16 Pb8 -","4","0.5","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1241","0.0633","","","0.1406","0.1707","","","","","","1.045","","","","has coordinates,has disorder","265764","2021-06-04","01:04:19",""
"8000500","39.173","0.004","8.3835","0.0005","8.3225","0.0005","90","","90.789","0.007","90","","2732.9","0.4","296.1","0.2","296.1","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","1","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1291","0.0882","","","0.2059","0.2557","","","","","","1.018","","","","has coordinates","265764","2021-06-04","01:04:19",""
"8000501","13.826","0.002","17.372","0.005","5.0259","0.001","90","","90","","90","","1207.1","0.5","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","TON_BNHx","","","- C0.28 N1.68 O24 Si12 -","- C0.28 N1.68 O24 Si12 -","- C0.56 N3.36 O48 Si24 -","2","0.25","","Paliwoda, Damian; Comboni, Davide; Poręba, Tomasz; Hanfland, Michael; Alabarse, Frederico; Maurin, David; Michel, Thierry; Demirci, Umit B.; Rouquette, Jérôme; di Renzo, Francesco; van der Lee, Arie; Bernard, Samuel; Haines, Julien","Anomalous Volume Changes in the Siliceous Zeolite Theta-1 TON due to Hydrogen Insertion under High-Pressure, High-Temperature Conditions.","The journal of physical chemistry letters","2021","12","21","5059","5063","10.1021/acs.jpclett.1c00965","powder diffraction","","0.4957","synchrotron","","","","","","","","","2.7412","","","","","","","","has coordinates","265766","2021-06-04","01:05:42",""
"8000502","15.343","0.004","7.8403","0.0014","10.165","0.003","90","","90","","90","","1222.8","0.5","393","2","393","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Br3 N O Pb -","- C4 H12 Br3 N O Pb -","- C16 H48 Br12 N4 O4 Pb4 -","4","0.5","","Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia","A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-<i>T</i><sub>c</sub> Phase Transitions.","The journal of physical chemistry letters","2021","12","21","5221","5227","10.1021/acs.jpclett.1c01473","","","0.71073","MoKα","","0.2539","0.1143","","","0.2484","0.3099","","","","","","1.165","","","","has coordinates","265767","2021-06-04","01:05:49",""
"8000503","10.3827","0.0007","14.8485","0.0012","7.6353","0.0005","90","","95.432","0.007","90","","1171.83","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Br3 N O Pb -","- C4 H12 Br3 N O Pb -","- C16 H48 Br12 N4 O4 Pb4 -","4","1","","Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia","A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-<i>T</i><sub>c</sub> Phase Transitions.","The journal of physical chemistry letters","2021","12","21","5221","5227","10.1021/acs.jpclett.1c01473","","","0.71073","MoKα","","0.087","0.0589","","","0.1507","0.161","","","","","","1.087","","","","has coordinates","265767","2021-06-04","01:05:52",""
"8000504","9.556","0.004","9.556","0.004","7.9","0.002","90","","90","","120","","624.8","0.4","473","2","473","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C3.2 H8 Br1.2 N0.4 O0.4 Pb0.4 -","- C5.2 Br1.2 Pb0.4 -","- C26 Br6 Pb2 -","5","0.208333","","Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia","A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-<i>T</i><sub>c</sub> Phase Transitions.","The journal of physical chemistry letters","2021","12","21","5221","5227","10.1021/acs.jpclett.1c01473","","","0.71073","MoKα","","0.4816","0.3061","","","0.301","0.3588","","","","","","1.273","","","","has coordinates","265767","2021-06-04","01:05:54",""
"8000505","39.846","0.004","39.846","0.004","39.846","0.004","90","","90","","90","","63264","11","180","2","180","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C24 H8 F2 O5.78 Zr -","- C24 H8 F2 O5.78067 Zr -","- C1152 H384 F96 O277.472 Zr48 -","48","0.25","","Liu, Zhiyu; Wang, Yangyang; Garcia-Garibay, Miguel A","Rotational Dynamics of an Amphidynamic Zirconium Metal-Organic Framework Determined by Dielectric Spectroscopy.","The journal of physical chemistry letters","2021","12","24","5644","5648","10.1021/acs.jpclett.1c01333","","","0.71073","MoKα","","0.0491","0.0333","","","0.0897","0.0971","","","","","","1.2","","","","has coordinates,has disorder","266975","2021-07-04","01:52:00",""
"8000506","39.823","0.003","39.823","0.003","39.823","0.003","90","","90","","90","","63154","8","298","2","298","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C24 H8 F2 O5.58 Zr -","- C24 H8 F2 O5.582 Zr -","- C1152 H384 F96 O267.936 Zr48 -","48","0.25","","Liu, Zhiyu; Wang, Yangyang; Garcia-Garibay, Miguel A","Rotational Dynamics of an Amphidynamic Zirconium Metal-Organic Framework Determined by Dielectric Spectroscopy.","The journal of physical chemistry letters","2021","12","24","5644","5648","10.1021/acs.jpclett.1c01333","","","0.71073","MoKα","","0.062","0.0356","","","0.082","0.0932","","","","","","1.146","","","","has coordinates,has disorder","266975","2021-07-04","01:52:00",""
"8000507","7.2332","0.0004","7.8762","0.0004","8.0903","0.0004","76.673","0.004","83.598","0.004","88.515","0.004","445.7","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TMPD-PMDA","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","1","0.5","","Chen, Wenbin; Sun, Shanshan; Huang, Guanheng; Ni, Shaofei; Xu, Liang; Dang, Li; Phillips, David Lee; Li, Ming-De","Unprecedented Improvement of Near-Infrared Photothermal Conversion Efficiency to 87.2% by Ultrafast Non-radiative Decay of Excited States of Self-Assembly Cocrystal.","The journal of physical chemistry letters","2021","12","24","5796","5801","10.1021/acs.jpclett.1c01021","","x-ray","1.54184","CuKα","","0.0462","0.0438","","","0.1105","0.1137","","","","","","1.095","","","","has coordinates","266974","2021-07-04","01:50:48",""
"8000532","25.2717","0.0016","7.7302","0.0004","12.4159","0.0007","90","","99.618","0.003","90","","2391.4","0.2","101","2","101.2","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cl6 In Rb3 -","- Cl6 In Rb3 -","- Cl48 In8 Rb24 -","8","1","","Zhang, Chao; Feng, Xuezhen; Song, Qilin; Zhou, Chaocheng; Peng, Lin; Chen, Jing; Liu, Xiaolin; Chen, Hong; Lin, Jia; Chen, Xianfeng","Blue-Violet Emission with Near-Unity Photoluminescence Quantum Yield from Cu(I)-Doped Rb<sub>3</sub>InCl<sub>6</sub> Single Crystals.","The journal of physical chemistry letters","2021","12","33","7928","7934","10.1021/acs.jpclett.1c01751","","","0.71073","MoKα","","0.0247","0.0222","","","0.0499","0.0507","","","","","","1.131","","","","has coordinates","268463","2021-09-04","02:02:15",""
"8000533","21.5256","0.0008","9.7968","0.0004","4.7685","0.0002","90","","90","","90","","1005.59","0.07","113.15","","113.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H15 N3 O6 -","- C6 H15 N3 O6 -","- C24 H60 N12 O24 -","4","1","","Guo, Mingxia; Rosbottom, Ian; Zhou, Lina; Yong, Chin W.; Zhou, Ling; Yin, Qiuxiang; Todorov, Ilian T.; Errington, Ethan; Heng, Jerry Y. Y.","Triglycine (GGG) Adopts a Polyproline II (pPII) Conformation in Its Hydrated Crystal Form: Revealing the Role of Water in Peptide Crystallization.","The journal of physical chemistry letters","2021","12","34","8416","8422","10.1021/acs.jpclett.1c01622","","x-ray","0.71073","MoKα","","0.0492","0.0466","","","0.1277","0.1305","","","","","","1.041","","","","has coordinates","268464","2021-09-04","02:03:16",""
"8000534","10.2354","0.0001","13.1008","0.0001","15.8109","0.0002","91.429","0.001","101.553","0.001","103.772","0.001","2011.56","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0242","0.0229","","","0.0608","0.0615","","","","","","1.027","","","","has coordinates","268465","2021-09-04","02:03:40",""
"8000535","30.414","0.0008","4.196","0.0001","14.4536","0.0003","90","","95.248","0.002","90","","1836.8","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Cu I N3 O0.5 -","- C8 H6 Cu I N3 O0.5 -","- C64 H48 Cu8 I8 N24 O4 -","8","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","0.71073","MoKα","","0.0268","0.0235","","","0.0613","0.0634","","","","","","1.049","","","","has coordinates","268466","2021-09-04","02:04:03",""
"8000536","10.3279","0.0004","13.1429","0.0003","15.9454","0.0002","91.932","0.002","101.499","0.002","103.064","0.002","2059.02","0.1","330","2","330","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0624","0.0418","","","0.0923","0.1233","","","","","","1.142","","","","has coordinates","268467","2021-09-04","02:04:26",""
"8000537","10.253","0.0001","13.107","0.0001","15.8382","0.0001","91.541","0.001","101.537","0.001","103.642","0.001","2020.46","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0248","0.0232","","","0.0557","0.0564","","","","","","1.051","","","","has coordinates","268468","2021-09-04","02:04:44",""
"8000538","30.414","0.0008","4.196","0.0001","14.4536","0.0003","90","","95.248","0.002","90","","1836.8","0.08","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Cu I N3 O0.5 -","- C8 H6 Cu I N3 O0.5 -","- C64 H48 Cu8 I8 N24 O4 -","8","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","0.71073","MoKα","","0.0208","0.02","","","0.0535","0.0539","","","","","","1.029","","","","has coordinates","268469","2021-09-04","02:05:08",""
"8000539","10.337","0.0006","13.1443","0.0006","15.9625","0.0003","91.989","0.003","101.507","0.004","102.945","0.004","2064.09","0.16","350","2","350","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.1222","0.0808","","","0.1997","0.2633","","","","","","1.156","","","","has coordinates","268470","2021-09-04","02:05:39",""
"8000540","10.2702","0.0001","13.1195","0.0001","15.8628","0.0001","91.637","0.001","101.545","0.001","103.513","0.001","2029.76","0.03","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0267","0.0243","","","0.0582","0.0593","","","","","","1.048","","","","has coordinates","268471","2021-09-04","02:05:59",""
"8000541","10.3022","0.0002","13.1267","0.0002","15.9106","0.0002","91.787","0.001","101.542","0.001","103.293","0.002","2044.93","0.06","270","2","270","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0409","0.034","","","0.0845","0.0918","","","","","","1.116","","","","has coordinates","268472","2021-09-04","02:06:17",""
"8000542","10.2909","0.0001","13.1301","0.0001","15.8935","0.0002","91.716","0.001","101.577","0.001","103.369","0.001","2040.26","0.04","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0299","0.0266","","","0.0618","0.0631","","","","","","1.043","","","","has coordinates","268473","2021-09-04","02:06:36",""
"8000543","10.3155","0.0003","13.136","0.0002","15.932","0.0002","91.851","0.001","101.507","0.002","103.186","0.002","2052.83","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0522","0.0365","","","0.0786","0.1036","","","","","","1.134","","","","has coordinates","268474","2021-09-04","02:06:54",""
"8000544","17.7247","0.001","7.665","0.0004","9.7505","0.0005","90","","90","","90","","1324.7","0.12","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- F4 H2 K2 O12 S3 Zn3 -","- F4 H2 K2 O12 S3 Zn3 -","- F16 H8 K8 O48 S12 Zn12 -","4","0.5","","Zhou, Yang; Zhang, Xingyu; Xiong, Zheyao; Long, Xifa; Li, Yanqiang; Chen, Yangxin; Chen, Xin; Zhao, Sangen; Lin, Zheshuai; Luo, Junhua","Non-π-Conjugated Deep-Ultraviolet Nonlinear Optical Crystal K<sub>2</sub>Zn<sub>3</sub>(SO<sub>4</sub>)(HSO<sub>4</sub>)<sub>2</sub>F<sub>4</sub>.","The journal of physical chemistry letters","2021","12","34","8280","8284","10.1021/acs.jpclett.1c01533","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","268475","2021-09-04","02:07:17",""
"8000545","9.555","0.0001","15.6096","0.0001","32.3131","0.0003","99.959","0.001","91.493","0.001","92.824","0.001","4738.17","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 Br4 Mn N2 -","- C42 H76 Br4 Mn N2 -","- C168 H304 Br16 Mn4 N8 -","4","2","","Zhang, Shuai; Zhao, Yifei; Zhou, Yayun; Li, Man; Wang, Wei; Ming, Hong; Jing, Xiping; Ye, Shi","Dipole-Orientation-Dependent Förster Resonance Energy Transfer from Aromatic Head Groups to MnBr<sub>4</sub><sup>2-</sup> Blocks in Organic-Inorganic Hybrids.","The journal of physical chemistry letters","2021","12","36","8692","8698","10.1021/acs.jpclett.1c02686","","x-ray","1.54184","CuKα","","0.0518","0.0432","","","0.105","0.1092","","","","","","1.056","","","","has coordinates","269531","2021-10-04","01:43:45",""
"8000546","9.2521","0.0001","17.3068","0.0002","30.8717","0.0003","78.402","0.001","88.41","0.001","76.36","0.001","4704.8","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H78 Br4 Mn N4 -","- C40 H78 Br4 Mn N4 -","- C160 H312 Br16 Mn4 N16 -","4","2","","Zhang, Shuai; Zhao, Yifei; Zhou, Yayun; Li, Man; Wang, Wei; Ming, Hong; Jing, Xiping; Ye, Shi","Dipole-Orientation-Dependent Förster Resonance Energy Transfer from Aromatic Head Groups to MnBr<sub>4</sub><sup>2-</sup> Blocks in Organic-Inorganic Hybrids.","The journal of physical chemistry letters","2021","12","36","8692","8698","10.1021/acs.jpclett.1c02686","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1251","0.1281","","","","","","1.076","","","","has coordinates","269532","2021-10-04","01:44:10",""
"8000547","8.9169","0.0019","13.042","0.003","17.248","0.004","90","","94.284","0.008","90","","2000.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 F3 I3 N -","- C20 H10 F3 I3 N -","- C80 H40 F12 I12 N4 -","4","1","","Du, Sijia; Ma, Suqian; Xu, Bin; Tian, Wenjing","Optical Waveguide and Photoluminescent Polarization in Organic Cocrystal Polymorphs.","The journal of physical chemistry letters","2021","12","38","9233","9238","10.1021/acs.jpclett.1c02726","","","0.71076","MoKα","","0.051","0.0463","","","0.1227","0.1263","","","","","","1.154","","","","has coordinates","269533","2021-10-04","01:44:42",""
"8000548","5.0705","0.0007","37.539","0.005","10.7938","0.0016","90","","92.192","0.005","90","","2053","0.5","98","2","98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 F3 I3 N -","- C20 H10 F3 I3 N -","- C80 H40 F12 I12 N4 -","4","1","","Du, Sijia; Ma, Suqian; Xu, Bin; Tian, Wenjing","Optical Waveguide and Photoluminescent Polarization in Organic Cocrystal Polymorphs.","The journal of physical chemistry letters","2021","12","38","9233","9238","10.1021/acs.jpclett.1c02726","","","0.71076","MoKα","","0.0723","0.0417","","","0.0824","0.095","","","","","","1.113","","","","has coordinates","269534","2021-10-04","01:45:08",""
"8000549","10.7291","0.0002","12.2843","0.0003","19.3087","0.0004","90","","93.931","0.002","90","","2538.89","0.09","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H50 N4 O4 -","- C70 H50 N4 O4 -","- C140 H100 N8 O8 -","2","1","","Sakamaki, Daisuke; Tanaka, Shunya; Tanaka, Katsuki; Takino, Mayu; Gon, Masayuki; Tanaka, Kazuo; Hirose, Takashi; Hirobe, Daichi; Yamamoto, Hiroshi M.; Fujiwara, Hideki","Double Heterohelicenes Composed of Benzo[<i>b</i>]- and Dibenzo[<i>b</i>,<i>i</i>]phenoxazine: A Comprehensive Comparison of Their Electronic and Chiroptical Properties.","The journal of physical chemistry letters","2021","12","38","9283","9292","10.1021/acs.jpclett.1c02896","","","0.71073","MoKα","","0.0665","0.0452","","","0.1068","0.116","","","","","","1.043","","","","has coordinates","269535","2021-10-04","01:45:36",""
"8000550","8.6191","0.0006","11.0586","0.0009","12.8995","0.0009","96.722","0.007","92.205","0.007","90.967","0.006","1219.88","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C70 H52 N4 O4 -","2","1","","Sakamaki, Daisuke; Tanaka, Shunya; Tanaka, Katsuki; Takino, Mayu; Gon, Masayuki; Tanaka, Kazuo; Hirose, Takashi; Hirobe, Daichi; Yamamoto, Hiroshi M.; Fujiwara, Hideki","Double Heterohelicenes Composed of Benzo[<i>b</i>]- and Dibenzo[<i>b</i>,<i>i</i>]phenoxazine: A Comprehensive Comparison of Their Electronic and Chiroptical Properties.","The journal of physical chemistry letters","2021","12","38","9283","9292","10.1021/acs.jpclett.1c02896","","","0.71075","MoKα","","0.0692","0.0442","","","0.11","0.1196","","","","","","1.053","","","","has coordinates","269536","2021-10-04","01:46:10",""
"8000558","5.8131","0.00005","15.6887","0.0002","5.2854","0.00008","90","","92.282","0.0006","90","","481.646","0.01","295","","295.03","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Cs Pb I2 Br","Cs Pb I2 Br","","- Br Cs I2 Pb -","- Br Cs I2 Pb -","- Br2 Cs2 I4 Pb2 -","2","0.5","","Yue, Yaochang; Zhou, Jiyu; Cheng, Qian; Zhang, Xuning; Wang, Boxin; Li, Yanxun; Li, Shilin; Cao, Ruiqi; Wang, Kaiyuan; Wang, Hui; Zhou, Huiqiong; Zhang, Yuan","Peculiar Steric Hindrance Assists Monoclinic Phase Formation toward High-Quality All-Inorganic Perovskites.","The journal of physical chemistry letters","2021","12","45","11228","11237","10.1021/acs.jpclett.1c03021","powder diffraction","","1.5405","CuKα","","","","","","","","","7.3375","1.2232","","","","","","","has coordinates","271114","2021-12-04","03:03:48",""
"8000563","6.6191","0.0002","3.797","0.0001","19.903","0.0005","90","","94.592","0.003","90","","498.61","0.02","170","0.11","170","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N2 O2 -","- C14 H8 N2 O2 -","- C28 H16 N4 O4 -","2","0.5","","Wang, Long; Cai, Wanlin; Sun, Jing; Wu, Yuling; Zhang, Bin; Tian, Xiangbin; Guo, Shaoting; Liang, WanZhen; Fu, Hongbing; Yao, Jiannian","H-Type-like Aggregation-Accelerated Singlet Fission Process in Dipyrrolonaphthyridinedione Thin Film: The Role of Charge Transfer/Excimer Mixed Intermediate State.","The journal of physical chemistry letters","2021","12","51","12276","12282","10.1021/acs.jpclett.1c03265","","x-ray","1.54184","CuKα","","0.0403","0.037","","","0.0929","0.0951","","","","","","1.117","","","","has coordinates","271788","2022-01-04","02:28:21",""
"8103430","4.3043","","4.3043","","4.4749","","90","","90","","120","","71.799","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Eu (Au0.54 Ge1.46)","","- Au0.54 Eu Ge1.46 -","- Au0.54 Eu Ge1.46 -","- Au0.54 Eu Ge1.46 -","1","0.0416667","","Grin', Yu.; Poettgen, R.","Die Kristallstrukturen von Eu5 Si3, Eu Zn Ga und Eu Au.54 Ge1.46","Zeitschrift fuer Kristallographie, Supplement Issue","1997","12","","137","137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"9004072","4.753","","10.269","","13.724","","100.9","","90","","90","","657.764","","","","","","","","","","","","","7","P 21/b 1 1","-P 2xab","14","","","Hydroxylclinohumite","- F0.4 Fe1.51 H1.08 Mg7.23 O17.6 Si4 Ti0.26 -","- F0.4 Fe1.51 H1.08 Mg7.23 O17.6 Si4 Ti0.26 -","- F0.8 Fe3.02 H2.16 Mg14.46 O35.2 Si8 Ti0.52 -","2","0.5","","Kocman, V.; Rucklidge, J. C.","The crystal structure of a titaniferous clinohumite","The Canadian Mineralogist","1973","12","","39","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:17",""
"9004073","6.642","","6.642","","6.642","","90","","90","","90","","293.02","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","Michenerite","- Bi0.88 Pd Sb0.11 Te -","- Bi0.88 Pd Sb0.11 Te -","- Bi3.52 Pd4 Sb0.44 Te4 -","4","0.333333","","Childs, J. D.; Hall, S. R.","The crystal structure of michenerite, PdBiTe","The Canadian Mineralogist","1973","12","","61","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004074","10.521","","10.521","","10.521","","90","","90","","90","","1164.58","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","Argentopentlandite","- Ag Fe4.8 Ni3.2 S8 -","- Ag Fe4.8 Ni3.2 S8 -","- Ag4 Fe19.2 Ni12.8 S32 -","4","0.0208333","","Hall, S. R.; Stewart, J. M.","The crystal structure of argentian pentlandite (Fe,Ni)8AgS8, compared with the refined structure of pentlandite (Fe,Ni)9S8","The Canadian Mineralogist","1973","12","","169","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004075","10.044","","10.044","","10.044","","90","","90","","90","","1013.26","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe4.23 Ni4.77 S8 -","- Fe4.23 Ni4.77 S8 -","- Fe16.92 Ni19.08 S32 -","4","0.0208333","","Hall, S. R.; Stewart, J. M.","The crystal structure of argentian pentlandite (Fe,Ni)8AgS8, compared with the refined structure of pentlandite (Fe,Ni)9S8","The Canadian Mineralogist","1973","12","","169","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:33",""
"9004076","10.038","","10.038","","10.038","","90","","90","","90","","1011.44","","","","","","","","","","","","Frood Mine, Ontario, Canada","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe3.98 Ni4.94 S8 -","- Fe3.98 Ni4.94 S8 -","- Fe15.92 Ni19.76 S32 -","4","0.0208333","","Rajamani, V.; Prewitt, C. T.","Crystal chemistry of natural pentlandite","The Canadian Mineralogist","1973","12","","178","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:33",""
"9004077","9.977","","9.977","","9.977","","90","","90","","90","","993.116","","","","","","","","","","","","Outokumpu, Finland","3","F m -3 m","-F 4 2 3","225","","","Pentlandite","- Fe3.98 Ni4.94 S8 -","- Fe3.98 Ni4.94 S8 -","- Fe15.92 Ni19.76 S32 -","4","0.0208333","","Rajamani, V.; Prewitt, C. T.","Crystal chemistry of natural pentlandite","The Canadian Mineralogist","1973","12","","178","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:33",""
"9004078","9.6071","","9.6071","","3.1434","","90","","90","","120","","251.255","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","","Millerite","- Ni S -","- Ni S -","- Ni9 S9 -","9","0.5","","Grice, J. D.; Ferguson, R. B.","Crystal structure refinement of millerite (B-NiS)","The Canadian Mineralogist","1974","12","","248","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004080","7.3","","7.3","","5.402","","90","","90","","90","","287.873","","","","","","","","","","","","Westphalia","4","P 4/m m m","-P 4 2","123","","","Hauchecornite","- Bi1.3 Ni9 S8 Sb0.7 -","- Bi1.3 Ni9 S8 Sb0.7 -","- Bi1.3 Ni9 S8 Sb0.7 -","1","0.0625","","Kocman, V.; Nuffield, E. W.","The crystal structure of antimonian hauchecornite from Westphalia","The Canadian Mineralogist","1974","12","","269","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9005429","13.6164","","15.6672","","19.1869","","106.933","","91.531","","98.401","","3863.3","","","","","","","","","","","","","5","P -1","-P 1","2","","","Pushcharovskite","- As15 Cu18 H103.583 K0.632 O88.3 -","- As15 Cu18 H65.0167 K0.632 O88.3 -","- As30 Cu36 H130.033 K1.264 O176.6 -","2","1","","Pushcharovsky, D. Y.; Teat, S. J.; Zaitsev, V. N.; Zubkova, N. V.; Sarp, H.","Crystal structure of pushcharovskite","European Journal of Mineralogy","2000","12","","95","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005430","9.8475","","9.0277","","5.2495","","90","","104.805","","90","","451.189","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.94 Fe Na0.06 O6 Si2 -","- Ca0.94 Fe Na0.06 O6 Si2 -","- Ca3.76 Fe4 Na0.24 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.","Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: hd/6","European Journal of Mineralogy","2000","12","","105","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005431","9.8472","","9.0288","","5.2466","","90","","104.789","","90","","451.014","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.9 Fe Na0.1 O6 Si2 -","- Ca0.9 Fe Na0.1 O6 Si2 -","- Ca3.6 Fe4 Na0.4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.","Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: hd/10","European Journal of Mineralogy","2000","12","","105","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005432","9.7951","","8.9698","","5.2634","","90","","105.523","","90","","445.574","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.75 Fe Na0.25 O6 Si2 -","- Ca0.75 Fe Na0.25 O6 Si2 -","- Ca3 Fe4 Na O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.","Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae25/20","European Journal of Mineralogy","2000","12","","105","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005433","9.7598","","8.9277","","5.2748","","90","","106.041","","90","","441.712","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.6 Fe Na0.4 O6 Si2 -","- Ca0.6 Fe Na0.4 O6 Si2 -","- Ca2.4 Fe4 Na1.6 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.","Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae40/20","European Journal of Mineralogy","2000","12","","105","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005434","9.7441","","8.9103","","5.2791","","90","","106.225","","90","","440.091","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Clinopyroxene","- Ca0.5 Fe Na0.5 O6 Si2 -","- Ca0.5 Fe Na0.5 O6 Si2 -","- Ca2 Fe4 Na2 O24 Si8 -","4","0.5","","Redhammer G J; Amthauer G; Lottermoser W; Treutmann W","Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae50/20","European Journal of Mineralogy","2000","12","","105","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9005435","9.7189","","8.8818","","5.2835","","90","","106.598","","90","","437.075","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.4 Fe Na0.6 O6 Si2 -","- Ca0.4 Fe Na0.6 O6 Si2 -","- Ca1.6 Fe4 Na2.4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.","Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae60/1","European Journal of Mineralogy","2000","12","","105","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005436","9.6977","","8.8519","","5.2861","","90","","106.765","","90","","434.488","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.25 Fe Na0.75 O6 Si2 -","- Ca0.25 Fe Na0.75 O6 Si2 -","- Ca Fe4 Na3 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.","Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae75/20","European Journal of Mineralogy","2000","12","","105","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005437","9.6714","","8.8152","","5.2926","","90","","107.166","","90","","431.122","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Ca0.1 Fe Na0.9 O6 Si2 -","- Ca0.1 Fe Na0.9 O6 Si2 -","- Ca0.4 Fe4 Na3.6 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.","Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae90/13","European Journal of Mineralogy","2000","12","","105","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005438","9.6549","","8.7947","","5.2938","","90","","107.394","","90","","428.952","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Fe Na O6 Si2 -","- Fe Na O6 Si2 -","- Fe4 Na4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.","Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae100/12","European Journal of Mineralogy","2000","12","","105","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005439","9.6543","","8.807","","5.2943","","90","","107.316","","90","","429.748","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Aegirine","- Fe Na O6 Si2 -","- Fe Na O6 Si2 -","- Fe4 Na4 O24 Si8 -","4","0.5","","Redhammer, G. J.; Amthauer, G.; Lottermoser, W.; Treutmann, W.","Synthesis and structural properties of clinopyroxenes of the hedenbergite CaFeSi2O6 - aegirine NaFeSi2O6 solid-solution series Sample: ae100/F3d","European Journal of Mineralogy","2000","12","","105","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005440","5.42","","14.743","","5.597","","90","","90","","90","","447.24","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Srebrodolskite","- Al0.135 Ca2 Fe1.865 O5 -","- Al0.135 Ca2 Fe1.865 O5 -","- Al0.54 Ca8 Fe7.46 O20 -","4","0.5","","Kahlenberg, V.; Fischer, R. X.","Crystal growth and cation distribution in doped dicalcium ferrite Ca2(Fe1-xMex)2O5 (Me=Al,Ga) Sample: Me = Al","European Journal of Mineralogy","2000","12","","129","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005441","5.42","","14.721","","5.599","","90","","90","","90","","446.732","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Srebrodolskite","- Ca2 Fe1.445 Ga0.555 O5 -","- Ca2 Fe1.445 Ga0.555 O5 -","- Ca8 Fe5.78 Ga2.22 O20 -","4","0.5","","Kahlenberg, V.; Fischer, R. X.","Crystal growth and cation distribution in doped dicalcium ferrite Ca2(Fe1-xMex)2O5 (Me=Al,Ga) Sample: Me = Ga","European Journal of Mineralogy","2000","12","","129","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005442","9.467","","5.466","","9.14","","96.67","","101.04","","90","","460.949","","","","","","","","","","","","","6","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Chloritoid","- Al3.983 Fe1.038 H4 Mg0.97 O14 Si2 -","- Al3.9825 Fe1.0375 Mg0.97 O14 Si2 -","- Al7.965 Fe2.075 Mg1.94 O28 Si4 -","2","","","Koch-Muller M; Abs-Wurmbach I; Langer, K.; Shaw, C.; Wirth, R.; Gottschalk, M.","Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and thermodynamic studies Sample: MKM-97-4","European Journal of Mineralogy","2000","12","","293","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005443","9.451","","5.4674","","18.159","","90","","101.4","","90","","919.807","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Chloritoid","- Al3.985 Fe0.875 H4 Mg1.12 O14 Si2 -","- Al3.985 Fe0.875 Mg1.12 O14 Si2 -","- Al15.94 Fe3.5 Mg4.48 O56 Si8 -","4","0.5","","Koch-Muller M; Abs-Wurmbach I; Langer, K.; Shaw, C.; Wirth, R.; Gottschalk, M.","Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and thermodynamic studies Sample: RO2","European Journal of Mineralogy","2000","12","","293","314","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005444","11.274","","7.344","","11.468","","99.18","","97.19","","90.02","","929.775","","","","","","","","","","","","","4","C 1","C 1","1","","","Clinotobermorite","- Ca5 H10 O22 Si6 -","- Ca5 H10 O22 Si6 -","- Ca10 H20 O44 Si12 -","2","","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of clinotobermorite and tobermorite 9 A: OD character, polytypes, and structural relationships Sample: MDO2 data collected at Pisa","European Journal of Mineralogy","2000","12","","411","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:28",""
"9005445","11.273","","7.35","","11.498","","99.17","","97.19","","89.97","","932.93","","","","","","","","","","","","","4","C 1","C 1","1","","","Clinotobermorite","- Ca5 H10 O22 Si6 -","- Ca5 H10 O22 Si6 -","- Ca10 H20 O44 Si12 -","2","","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of clinotobermorite and tobermorite 9 A: OD character, polytypes, and structural relationships Sample: MDO2 data collected at Bern","European Journal of Mineralogy","2000","12","","411","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:32",""
"9005446","11.276","","7.343","","22.642","","90","","97.28","","90","","1859.64","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","Clinotobermorite","- Ca5 H10 O22 Si6 -","- Ca5 H10 O22 Si6 -","- Ca20 H40 O88 Si24 -","4","1","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of clinotobermorite and tobermorite 9 A: OD character, polytypes, and structural relationships Sample: MDO1 data collected at Pisa","European Journal of Mineralogy","2000","12","","411","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:37",""
"9005447","11.156","","7.303","","9.566","","101.08","","92.83","","89.98","","763.87","","","","","","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Tobermorite","- Ca2.5 H O9 Si3 -","- Ca2.5 H O9 Si3 -","- Ca10 H4 O36 Si12 -","4","","","Merlino, S.; Bonaccorsi, E.; Armbruster, T.","The real structure of clinotobermorite and tobermorite 9 A: OD character, polytypes, and structural relationships Sample: MDO2","European Journal of Mineralogy","2000","12","","411","429","","","","","","","","","","","","","","","","","","","","","","has coordinates","287550","2023-11-11","17:51:30",""
"9005448","18.4049","","56.655","","6.5443","","90","","90","","90","","6823.94","","","","","","","","","","","","","6","F d d 2","F 2 -2d","43","","","Mesolite","- Al6 Ca2 H16 Na2 O38 Si9 -","- Al6 Ca2 H16 Na2 O38 Si9 -","- Al48 Ca16 H128 Na16 O304 Si72 -","8","0.5","","Stuckenschmidt, E.; Kirfel, A.","Zeolites of NAT topology: Structure refinement of mesolite from single crystal X-ray data and comparison with the structures of natrolite and scolecite","European Journal of Mineralogy","2000","12","","571","579","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005449","7.965","","9.999","","7.644","","103.94","","115.91","","67.86","","505.086","","","","","","","","","","","","Rocabruna mines, Bruguers, Barcelona, Catalonia, Spain","5","P -1","-P 1","2","","","Tinticite","- Fe5.34 H20 O26.8 P3.62 V0.38 -","- Fe5.34 H17.6 O26.8 P3.62 V0.38 -","- Fe5.34 H17.6 O26.8 P3.62 V0.38 -","1","0.5","","Rius, J.; Louer, D.; Louer, M.; Gali, S.; Melgarejo, J. C.","Structure solution from powder data of the phosphate hydrate tinticite","European Journal of Mineralogy","2000","12","","581","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005450","3.909","","3.909","","3.909","","90","","90","","90","","59.731","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","Isolueshite","- Ca0.06 La0.19 Na0.75 Nb0.5 O3 Ti0.5 -","- Ca0.06 La0.19 Na0.75 Nb0.5 O3 Ti0.5 -","- Ca0.06 La0.19 Na0.75 Nb0.5 O3 Ti0.5 -","1","0.0208333","","Krivovichev, S. V.; Chakhmouradian, A. R.; Mitchell, R. H.; Filatov, S. K.; Chukanov, N. V.","Crystal structure of isolueshite and its synthetic compositional analogue Sample: isolueshite","European Journal of Mineralogy","2000","12","","597","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005451","7.7842","","7.8033","","7.7828","","90","","90","","90","","472.746","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","","Isolueshite","- La0.25 Na0.75 Nb0.5 O3 Ti0.5 -","- La0.25 Na0.75 Nb0.5 O3 Ti0.5 -","- La2 Na6 Nb4 O24 Ti4 -","8","0.5","","Krivovichev, S. V.; Chakhmouradian, A. R.; Mitchell, R. H.; Filatov, S. K.; Chukanov, N. V.","Crystal structure of isolueshite and its synthetic compositional analogue Sample: synthetic (Na.75La.25)(Nb.5Ti.5)O3","European Journal of Mineralogy","2000","12","","597","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005452","27.637","","4.0499","","20.741","","90","","131.258","","90","","1745.17","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Felbertalite","- Bi8 Cu2 Pb6 S19 -","- Bi8 Cu2 Pb6 S19 -","- Bi16 Cu4 Pb12 S38 -","2","0.25","","Topa, D.; Makovicky, E.; Balic-Zunic T; Berlepsch, P.","The crystal structure of Cu2Pb6Bi8S19","European Journal of Mineralogy","2000","12","","825","833","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005453","51.996","","8.148","","24.311","","90","","104.09","","90","","9989.81","","","","","","","","","","","","Tuscany, Italy","4","C 1 2/m 1","-C 2y","12","","","Scainiite","- O5 Pb14 S54 Sb30 -","- O5 Pb14 S54 Sb30 -","- O20 Pb56 S216 Sb120 -","4","0.5","","Moelo, Y.; Meerschaut, A.; Orlandi, P.; Palvadeau, P.","Lead-antimony sulfosalts from Tuscany (Italy): II - Crystal structure of scainiite, Pb14Sb30S54O5, an expanded monoclinic derivative of Ba12Bi24S48 hexagonal sub-type (zinkenite group)","European Journal of Mineralogy","2000","12","","835","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005454","12.018","","12.565","","6.415","","90","","114.33","","90","","882.672","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe2 Mn Na O12 P3 -","- Fe2 Mn Na O12 P3 -","- Fe8 Mn4 Na4 O48 P12 -","4","0.5","","Hatert, F.; Keller, P.; Lissner, F.; Antenucci, D.; Fransolet, A.-M.","First experimental evidence of alluaudite-like phosphates with high Li-content: the (Na1-xLix)MnFe2(PO4)3 series (x= 0 to 1) Sample: NaMnFe2(PO4)3","European Journal of Mineralogy","2000","12","","847","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005455","11.988","","12.5","","6.392","","90","","114.67","","90","","870.416","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Fe2 Li0.5 Mn Na0.5 O12 P3 -","- Fe2 Li0.5 Mn Na0.5 O12 P3 -","- Fe8 Li2 Mn4 Na2 O48 P12 -","4","0.5","","Hatert, F.; Keller, P.; Lissner, F.; Antenucci, D.; Fransolet, A.-M.","First experimental evidence of alluaudite-like phosphates with high Li-content: the (Na1-xLix)MnFe2(PO4)3 series (x= 0 to 1) Sample: Na.5Li.5MnFe2(PO4)3","European Journal of Mineralogy","2000","12","","847","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005456","8.5424","","5.7117","","9.6484","","90","","108.298","","90","","446.958","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Sursassite","- Al2.58 H3.42 Mg2.42 O14 Si3 -","- Al2.58 H3.42 Mg2.42 O14 Si3 -","- Al5.16 H6.84 Mg4.84 O28 Si6 -","2","0.5","","Gottschalk, M.; Fockenberg, T.; Grevel, K.-D.; Wunder, B.; Wirth, R.; Schreyer, W.; Maresch, W. V.","Crystal structure of the high-pressure phase Mg4(MgAl)Al4[Si6O21/(OH)7]: an analogue of sursassite Sample: A53","European Journal of Mineralogy","2000","12","","935","945","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005457","15.964","","15.964","","7.119","","90","","90","","120","","1571.21","","","","","","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","Foitite","- Al7.419 B3 Fe1.581 H3.58 O31 Si6 -","- Al7.419 B3 Fe1.581 H3.58 O31 Si6 -","- Al22.257 B9 Fe4.743 H10.74 O93 Si18 -","3","0.166667","","Kahlenberg, V.; Velickov, B.","Structural investigations on a synthetic alkali-free hydrogen-deficient Fe-tourmaline (foitite)","European Journal of Mineralogy","2000","12","","947","953","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:53",""
"9005458","5.2046","","9.0368","","19.886","","90","","95.615","","90","","930.809","","","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al1.368 F0.8 Fe0.038 H1.2 K0.964 Mg0.73 O11.2 Si3.808 -","- Al1.368 F0.8 Fe0.038 H1.2 K0.964 Mg0.73 O11.2 Si3.808 -","- Al5.472 F3.2 Fe0.152 H4.8 K3.856 Mg2.92 O44.8 Si15.232 -","4","0.5","","Smyth, J. R.; Jacobsen, S. D.; Swope, R. J.; Angel, R. J.; Arlt, T.; Domanik, K.; Holloway, J. R.","Crystal structures and compressibilities of synthetic 2M_1 and 3T phengite micas Sample: synthetic 2M_1","European Journal of Mineralogy","2000","12","","955","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005459","5.211","","5.211","","29.689","","90","","90","","120","","698.182","","","","","","","","","","","","","8","P 31 1 2","P 31 2 (0 0 4)","151","","","Phengite","- Al0.998 F0.8 Fe0.026 H1.2 K Mg0.5 O11.2 Si3.808 -","- Al0.998 F0.8 Fe0.026 H1.2 K Mg0.5 O11.2 Si3.808 -","- Al2.994 F2.4 Fe0.078 H3.6 K3 Mg1.5 O33.6 Si11.424 -","3","0.5","","Smyth, J. R.; Jacobsen, S. D.; Swope, R. J.; Angel, R. J.; Arlt, T.; Domanik, K.; Holloway, J. R.","Crystal structures and compressibilities of synthetic 2M_1 and 3T phengite micas Sample: synthetic 3T","European Journal of Mineralogy","2000","12","","955","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005460","5.6906","","17.061","","9.732","","90","","90","","90","","944.854","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Rollandite","- As2 Cu3 H8 O12 -","- As2 Cu3 H8 O12 -","- As8 Cu12 H32 O48 -","4","0.5","","Sarp, H.; Cerny, R.","Rollandite, Cu3(AsO4)2.4H2O, a new mineral: its description and crystal structure","European Journal of Mineralogy","2000","12","","1045","1050","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:56",""
"9005461","13.601","","18.232","","17.81","","90","","90","","90","","4416.41","","","","","","","","","","","","","10","F m m m","-F 2 2","69","","","Barrerite","- Al1.876 Ba0.002 Ca0.162 H34 K0.03 Mg0.047 N1.315 Na0.106 O22.52 Si7.123 -","- Al1.8765 Ba0.0025 Ca0.1625 H9.04 K0.03 Mg0.0475 N1.315 Na0.10625 O22.52 Si7.1235 -","- Al15.012 Ba0.02 Ca1.3 H72.32 K0.24 Mg0.38 N10.52 Na0.85 O180.16 Si56.988 -","8","0.25","","Meneghinello, E.; Alberti, A.; Cruciani, G.; Sacerdoti, M.; McIntyre, G.; Ciambelli, P.; Rapascciuolo, M. T.","Single crystal neutron diffraction study of the natural zeolite barrerite in its ND4-exchanged form","European Journal of Mineralogy","2000","12","","1123","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005462","6.1844","","24.2715","","21.2265","","90","","100.326","","90","","3134.59","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","Pickeringite","- Al2 H44 Mg0.93 Mn0.07 O38 S4 -","- Al2 H44 Mg0.93 Mn0.07 O38 S4 -","- Al8 H176 Mg3.72 Mn0.28 O152 S16 -","4","1","","Quartieri, S.; Triscari, M.; Viani, A.","Crystal structure of the hydrated sulphate pickeringite (MgAl2(SO4)4.22H2O): X-ray powder diffraction study","European Journal of Mineralogy","2000","12","","1131","1138","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:56",""
"9005463","7.1381","","9.1626","","8.9421","","91.903","","98.105","","77.468","","565.206","","","","","","","","","","","","","10","P -1","-P 1","2","","","Magnesio-axinite","- Al2 B Ca1.975 Cr0.005 H0.95 Mg0.96 Mn0.035 O16 Si4 V0.015 -","- Al2 B Ca1.975 Cr0.005 H0.95 Mg0.96 Mn0.035 O16 Si4 V0.015 -","- Al4 B2 Ca3.95 Cr0.01 H1.9 Mg1.92 Mn0.07 O32 Si8 V0.03 -","2","1","","Andreozzi G B; Lucchesi S; Graziani G","Structural study of magnesioaxinite and its crystal-chemical relations with axinite-group minerals","European Journal of Mineralogy","2000","12","","1185","1194","","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:20",""
"9005783","17.069","","9.718","","9.355","","90","","90","","90","","1551.78","","","","","","","","","","","","","8","C c c m","-C 2 2c","66","","","Cordierite","- Al4 Ar0.72 Fe0.09 Mg1.91 Mn0.01 Na0.05 O18 Si5 -","- Al4 Ar0.72 Fe0.09 Mg1.91 Mn0.01 Na0.05 O18 Si5 -","- Al16 Ar2.88 Fe0.36 Mg7.64 Mn0.04 Na0.2 O72 Si20 -","4","0.25","","Armbruster, T.","Ar, N2, CO2 in the structural cavities of cordierite, an optical and X-ray single-crystal study Sample: White Well Ar","Physics and Chemistry of Minerals","1985","12","","233","245","10.1007/BF00311293","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005784","17.069","","9.722","","9.359","","90","","90","","90","","1553.08","","","","","","","","","","","","","8","C c c m","-C 2 2c","66","","","Cordierite","- Al4 Fe0.09 Mg1.91 Mn0.01 N1.2 Na0.05 O18 Si5 -","- Al4 Fe0.09 Mg1.91 Mn0.01 N1.2 Na0.05 O18 Si5 -","- Al16 Fe0.36 Mg7.64 Mn0.04 N4.8 Na0.2 O72 Si20 -","4","0.25","","Armbruster, T.","Ar, N2, CO2 in the structural cavities of cordierite, an optical and X-ray single-crystal study Sample: White Well N2","Physics and Chemistry of Minerals","1985","12","","233","245","10.1007/BF00311293","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005785","17.062","","9.722","","9.356","","90","","90","","90","","1551.94","","","","","","","","","","","","","8","C c c m","-C 2 2c","66","","","Cordierite","- C0.45 Al4 Fe0.09 Mg1.91 Mn0.01 Na0.05 O18.9 Si5 -","- C0.45 Al4 Fe0.09 Mg1.91 Mn0.01 Na0.05 O18.9 Si5 -","- C1.8 Al16 Fe0.36 Mg7.64 Mn0.04 Na0.2 O75.6 Si20 -","4","0.25","","Armbruster, T.","Ar, N2, CO2 in the structural cavities of cordierite, an optical and X-ray single-crystal study Sample: White Well CO2","Physics and Chemistry of Minerals","1985","12","","233","245","10.1007/BF00311293","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005786","17.066","","9.722","","9.345","","90","","90","","90","","1550.48","","","","","","","","","","","","","5","C c c m","-C 2 2c","66","","","Cordierite","- Al4 Mg2 Na0.05 O18.7 Si5 -","- Al4 Mg2 Na0.05 O18.7 Si5 -","- Al16 Mg8 Na0.2 O74.8 Si20 -","4","0.25","","Armbruster, T.","Ar, N2, CO2 in the structural cavities of cordierite, an optical and X-ray single-crystal study Sample: Ruby Island natural","Physics and Chemistry of Minerals","1985","12","","233","245","10.1007/BF00311293","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005787","11.867","","11.867","","11.867","","90","","90","","90","","1671.18","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","Garnet","- Al1.28 Ca2.43 Mn1.29 O12 Si3 -","- Al1.28 Ca2.43 Mn1.29 O12 Si3 -","- Al10.24 Ca19.44 Mn10.32 O96 Si24 -","8","0.0833333","","Arni, R.; Langer, K.; Tillmanns, E.","Mn3+ in garnets III. Absence of Jahn-Teller distortion in synthetic Mn3+ -bearing garnet","Physics and Chemistry of Minerals","1985","12","","279","282","10.1007/BF00310340","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007447","10.63","","12.06","","8.405","","90","","114","","90","","984.348","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Inyoite","- B3 Ca H13 O12 -","- B3 Ca H13 O12 -","- B12 Ca4 H52 O48 -","4","1","","Clark, J. R.","Studies of borate minerals IV. The structure of inyoite, CaB3O3(OH)5*4H2O","Acta Crystallographica","1959","12","","162","170","10.1107/S0365110X59000457","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007448","5.169","","5.232","","5.341","","90","","99.25","","90","","142.565","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","Baddeleyite","- O2 Zr -","- O2 Zr -","- O8 Zr4 -","4","1","","McCullough, J. D.; Trueblood, K. N.","The crystal structure of baddeleyite (monoclinic ZrO2)","Acta Crystallographica","1959","12","","507","511","10.1107/S0365110X59001530","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007449","3.86","","14.67","","22.8","","90","","90","","90","","1291.08","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","","Betekhtinite","- Cu21.332 Pb2 S15 -","- Cu21.332 Pb2 S15 -","- Cu42.664 Pb4 S30 -","2","0.125","","Dornberger-Schiff K; Hohne, E.","Die kristallstruktur des betechtinit Pb2(Cu,Fe)21S15","Acta Crystallographica","1959","12","","646","651","10.1107/S0365110X59001906","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007450","7.16","","7.26","","7.24","","90","","120.67","","90","","323.703","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Lazulite","- Al2 H2 Mg O10 P2 -","- Al2 H2 Mg O10 P2 -","- Al4 H4 Mg2 O20 P4 -","2","0.5","","Lindberg, M. L.; Christ, C. L.","Crystal structures of the isostructural minerals lazulite, scorzalite and barbosalite","Acta Crystallographica","1959","12","9","695","697","10.1107/S0365110X5900202X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007451","7.15","","7.31","","7.25","","90","","120.58","","90","","326.23","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","Scorzalite","- Al2 Fe H2 O10 P2 -","- Al2 Fe H2 O10 P2 -","- Al4 Fe2 H4 O20 P4 -","2","0.5","","Lindberg, M. L.; Christ, C. L.","Crystal structures of the isostructural minerals lazulite, scorzalite and barbosalite","Acta Crystallographica","1959","12","9","695","697","10.1107/S0365110X5900202X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007452","25.92","","11.62","","5.532","","90","","90","","90","","1666.19","","","","","","","","","","","","","4","F d d d :1","F 2 2 -1d","70","","","Zircosulphate","- H8 O12 S2 Zr -","- O12 S2 Zr -","- O96 S16 Zr8 -","8","0.25","","Singer, J.; Cromer, D. T.","The crystal structure analysis of zirconium sulphate tetrahydrate Locality: synthetic","Acta Crystallographica","1959","12","","719","723","10.1107/S0365110X59002134","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007453","5.19","","9","","9.74","","90","","100.1","","90","","447.905","","","","","","","","","","","","Chichibu mine, Japan","6","C 1 2/m 1","-C 2y","12","","","Clintonite","- Al4 Ca H2 Mg2 O12 Si -","- Al4 Ca H2 Mg2 O12 Si -","- Al8 Ca2 H4 Mg4 O24 Si2 -","2","0.25","","Takeuchi, Y.; Sadanaga, R.","The crystal structure of xanthophyllite","Acta Crystallographica","1959","12","","945","946","10.1107/S0365110X59002705","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007454","12.27","","11.33","","6.11","","90","","104.2","","90","","823.453","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Lorandite","- As S2 Tl -","- As S2 Tl -","- As8 S16 Tl8 -","8","2","","Zemann, A.; Zemann, J.","Zur kenntnis der kristallstruktur von lorandit, TlAsS2","Acta Crystallographica","1959","12","","1002","1006","10.1107/S0365110X59002833","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009725","5.151","","5.151","","8.69","","90","","90","","120","","199.68","","","","","","","","","","","","","4","P 63","P 6c","173","","","Kalsilite","- Al K O6 Si -","- Al K O6 Si -","- Al2 K2 O12 Si2 -","2","0.333333","","Andou, Y.; Kawahara, A.","The refinement of the structure of synthetic kalsilite Locality: synthetic","Mineralogical Journal","1984","12","","153","161","10.2465/minerj.12.153","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009928","5.351","","5.351","","10.48","","90","","90","","90","","300.076","","","","","","","","","","","","Synthetic sample","3","I -4 2 d","I -4 2bw","122","","","Gallite","- Cu Ga S2 -","- Cu Ga S2 -","- Cu4 Ga4 S8 -","4","0.25","","Brandt, G.; Rauber, A.; Schneider, J.","ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: Chalcopyrite structure","Solid State Communications","1973","12","","481","483","10.1016/0038-1098(73)90638-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009929","5.523","","5.523","","11.12","","90","","90","","90","","339.199","","","","","","","","","","","","Synthetic sample","3","I -4 2 d","I -4 2bw","122","","","Roquesite","- Cu In S2 -","- Cu In S2 -","- Cu4 In4 S8 -","4","0.25","","Brandt, G.; Rauber, A.; Schneider, J.","ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: chalcopyrite structure","Solid State Communications","1973","12","","481","483","10.1016/0038-1098(73)90638-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009930","5.3336","","5.3336","","10.444","","90","","90","","90","","297.103","","","","","","","","","","","","Synthetic sample","3","I -4 2 d","I -4 2bw","122","","","","- Al Cu S2 -","- Al Cu S2 -","- Al4 Cu4 S8 -","4","0.25","","Brandt, G.; Rauber, A.; Schneider, J.","ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: chalcopyrite structure","Solid State Communications","1973","12","","481","483","10.1016/0038-1098(73)90638-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9009931","5.754","","5.754","","10.295","","90","","90","","90","","340.852","","","","","","","","","","","","Synthetic sample","3","I -4 2 d","I -4 2bw","122","","","","- Ag Ga S2 -","- Ag Ga S2 -","- Ag4 Ga4 S8 -","4","0.25","","Brandt, G.; Rauber, A.; Schneider, J.","ESR and X-ray analysis of the ternary semiconductors CuAlS2, CuInS2, and AgGaS2 Locality: Synthetic sample Note: chalcopyrite structure","Solid State Communications","1973","12","","481","483","10.1016/0038-1098(73)90638-8","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010006","3.86","","3.86","","3.86","","90","","90","","90","","57.512","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","Sal ammoniac","- Cl H4 N -","- Cl H4 N -","- Cl H4 N -","1","0.0208333","","Vainshtein B K","Refinement of the structure of the group NH4 in the structure of ammonium chloride","Trudy Instituta Kristallografii Akademiya Nauk SSSR","1956","12","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:44",""
"9011019","5.82","","5.82","","5.82","","90","","90","","90","","197.137","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag0.5 Bi0.5 Se -","- Ag0.5 Bi0.5 Se -","- Ag2 Bi2 Se4 -","4","0.0208333","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: pure sample","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011020","5.832","","5.832","","5.832","","90","","90","","90","","198.359","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag0.5 Bi0.5 Se -","- Ag0.5 Bi0.5 Se -","- Ag2 Bi2 Se4 -","4","0.0208333","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: solid solution extrapolation","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011021","5.887","","5.887","","5.887","","90","","90","","90","","204.024","","","","","","","","","","quenched from T = 300 C","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag0.5 Bi0.5 Se -","- Ag0.5 Bi0.5 Se -","- Ag2 Bi2 Se4 -","4","0.0208333","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: quenched from T = 300 C","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011022","7.022","","7.022","","7.022","","34.5","","34.5","","34.5","","99.098","","","","","","","","","","quenched from T = 240 C","","","3","R -3 m :R","-P 3* 2","166","","","","- Ag Bi Se2 -","- Ag Bi Se2 -","- Ag Bi Se2 -","1","0.0833333","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: quenched from T = 240 C","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011023","4.18","","4.18","","19.67","","90","","90","","120","","297.637","","","","","","","","","","","","Synthetic","3","P -3 m 1","-P 3 2""","164","","","Bohdanowiczite","- Ag Bi Se2 -","- Ag Bi Se2 -","- Ag3 Bi3 Se6 -","3","0.25","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011024","4.07","","4.07","","19.06","","90","","90","","120","","273.428","","","","","","","","","","after annealing at 152 deg C for 15 days","","Synthetic","3","P -3 m 1","-P 3 2""","164","","","Matildite","- Ag Bi S2 -","- Ag Bi S2 -","- Ag3 Bi3 S6 -","3","0.25","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011025","5.648","","5.648","","5.648","","90","","90","","90","","180.171","","","","","","","","","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Schapbachite","- Ag0.5 Bi0.5 S -","- Ag0.5 Bi0.5 S -","- Ag2 Bi2 S4 -","4","0.0208333","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011026","5.682","","5.682","","5.682","","90","","90","","90","","183.444","","","","","","","","","","quenched from T = 200 C","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Schapbachite","- Ag0.5 Bi0.5 S -","- Ag0.5 Bi0.5 S -","- Ag2 Bi2 S4 -","4","0.0208333","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic Sample: quenched from T = 200 C","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011027","5.693","","5.693","","5.693","","90","","90","","90","","184.512","","","","","","","","","","quenched from T = 243 C","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Schapbachite","- Ag0.5 Bi0.5 S -","- Ag0.5 Bi0.5 S -","- Ag2 Bi2 S4 -","4","0.0208333","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic Sample: quenched from T = 243 C","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011028","5.786","","5.786","","5.786","","90","","90","","90","","193.703","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag0.5 Sb0.5 Se -","- Ag0.5 Sb0.5 Se -","- Ag2 Sb2 Se4 -","4","0.0208333","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011029","5.647","","5.647","","5.647","","90","","90","","90","","180.075","","","","","","","","","","","","Synthetic","3","F m -3 m","-F 4 2 3","225","","","Cuboargyrite","- Ag0.5 S Sb0.5 -","- Ag0.5 S Sb0.5 -","- Ag2 S4 Sb2 -","4","0.0208333","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011030","6.078","","6.078","","6.078","","90","","90","","90","","224.534","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag0.5 Sb0.5 Te -","- Ag0.5 Sb0.5 Te -","- Ag2 Sb2 Te4 -","4","0.0208333","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011031","6.155","","6.155","","6.155","","90","","90","","90","","233.176","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag0.5 Bi0.5 Te -","- Ag0.5 Bi0.5 Te -","- Ag2 Bi2 Te4 -","4","0.0208333","","Geller, S.; Wernick, J. H.","Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2","Acta Crystallographica","1959","12","","46","54","10.1107/S0365110X59000135","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011033","5.5884","","5.5884","","5.5884","","90","","90","","90","","174.527","","","","299.15","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","Calcium","","Calcium","- Ca -","- Ca -","- Ca4 -","4","0.0208333","","Bernstein, B. T.; Smith, J. F.","Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium Sample: at T = 26 C","Acta Crystallographica","1959","12","","419","420","10.1107/S0365110X59001268","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011034","4.48","","4.48","","4.48","","90","","90","","90","","89.915","","","","740.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Calcium","","Calcium","- Ca -","- Ca -","- Ca2 -","2","0.0208333","","Bernstein, B. T.; Smith, J. F.","Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium Sample: at T = 467 C","Acta Crystallographica","1959","12","","419","420","10.1107/S0365110X59001268","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011035","5.1","","5.1","","14.72","","90","","90","","120","","331.573","","","","","","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","Dmisteinbergite","- Al2 Ca O8 Si2 -","- Al2 Ca O8 Si2 -","- Al4 Ca2 O16 Si4 -","2","0.0833333","","Takeuchi, Y.; Donnay, G.","The crystal structure of hexagonal CaAl2Si2O8","Acta Crystallographica","1959","12","","465","470","10.1107/S0365110X59001396","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011036","4.908","","4.908","","12.567","","90","","90","","120","","262.163","","","","","","","","","","","","","1","R -3 m :H","-R 3 2""","166","Boron","","","- B -","- B -","- B36 -","36","1","","Decker, B. F.; Kasper, J. S.","The crystal structure of a simple rhombohedral form of boron Locality: synthetic","Acta Crystallographica","1959","12","","503","506","10.1107/S0365110X59001529","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9012099","9.721","","16.923","","19.942","","91.43","","104.15","","89.94","","3180.06","","","","","","","","","","","","Iwagi Islet, Ehime Prefecture, Japan","10","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Katayamalite","- Ca7 F0.24 Fe0.05 H1.76 K0.89 Li3 Na0.11 O37.76 Si12 Ti1.95 -","- Ca7 F0.24 Fe0.05 H1.76 K0.89 Li3 Na0.11 O37.76 Si12 Ti1.95 -","- Ca28 F0.96 Fe0.2 H7.04 K3.56 Li12 Na0.44 O151.04 Si48 Ti7.8 -","4","","","Kato, T.; Murakami, N.","The crystal structure of katayamalite","Mineralogical Journal","1985","12","","206","217","10.2465/minerj.12.206","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012715","6.087","","13.813","","5.597","","90","","90","","90","","470.594","","","","","","","","","","","","Kalabi, Jadotville, Katanga","4","P 21 21 21","P 2ac 2ab","19","","","Garhardtite","- Cu2 H3 N O6 -","- Cu2 H3 N O6 -","- Cu8 H12 N4 O24 -","4","1","","Bovio, B.; Locchi, S.","Crystal structure of the orthorhombic basic copper nitrate, Cu2(OH)3NO3","Journal of Crystallographic and Spectroscopic Research","1982","12","","507","517","10.1007/BF01160904","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012888","4.655","","11.54","","4.795","","90","","90","","90","","257.581","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- As2 O6 S -","- As2 O6 S -","- As4 O12 S2 -","2","0.5","","Mercier, R.","Etude structurale du compose As2O3, 1 SO3","Revue de Chimie Minerale","1975","12","","508","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013999","8.323","","8.251","","5.861","","90","","90","","90","","402.493","","","","","","","","","","","","Block 14 open cut, Broken Hill, New South Wales, Australia","6","P n n m","-P 2 2n","58","","","Zincolibethenite","- As0.02 Cu0.94 H O5 P0.98 Zn1.06 -","- As0.02 Cu0.94 H O5 P0.98 Zn1.06 -","- As0.08 Cu3.76 H4 O20 P3.92 Zn4.24 -","4","0.5","","Williams, P. A.; Leverett, P.; Birch, W. D.; Hibbs, D. E.; Kilitsch, U.; Mihajlovic, T.","Zinc-rich zincolibethenite from Broken Hill, New South Wales Note: z-coordinate of O3 altered by communication with authors, April 2010","Australian Journal of Mineralogy","2006","12","","3","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014224","6.85","","6.85","","6.7","","90","","90","","120","","272.262","","","","","","","","","","","","Soviet","4","P 31","P 31","144","","","Stillwellite-(Ce)","- B Ce O5 Si -","- B Ce O5 Si -","- B3 Ce3 O15 Si3 -","3","1","","Voronkov, A. A.; Pyatenko, Y. A.","X-ray diffraction study of the atomic structure of stillwellite CeBO[SiO4]","Soviet Physics Crystallography","1967","12","","214","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014442","14.5706","","5.5339","","5.1832","","90","","90","","90","","417.933","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Tanteuxenite-(Tm)","- O6 Ta Ti Tm -","- O6 Ta Ti Tm -","- O24 Ta4 Ti4 Tm4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014515","10.9511","","7.5288","","5.3829","","90","","90","","90","","443.813","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(Pr)","- O6 Pr Ta Ti -","- O6 Pr Ta Ti -","- O24 Pr4 Ta4 Ti4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014551","14.5288","","5.5226","","5.1572","","90","","90","","90","","413.797","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Tanteuxenite-(Lu)","- Lu O6 Ta Ti -","- Lu O6 Ta Ti -","- Lu4 O24 Ta4 Ti4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014745","10.977","","7.414","","5.238","","90","","90","","90","","426.287","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(Tb)","- O6 Ta Tb Ti -","- O6 Ta Tb Ti -","- O24 Ta4 Tb4 Ti4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015033","10.942","","7.5831","","5.4614","","90","","90","","90","","453.156","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(La)","- La O6 Ta Ti -","- La O6 Ta Ti -","- La4 O24 Ta4 Ti4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015222","10.9771","","7.5051","","5.3602","","90","","90","","90","","441.596","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(Nd)","- Nd O6 Ta Ti -","- Nd O6 Ta Ti -","- Nd4 O24 Ta4 Ti4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015462","14.6236","","5.5637","","5.203","","90","","90","","90","","423.323","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Tanteuxenite-(Ho)","- Ho O6 Ta Ti -","- Ho O6 Ta Ti -","- Ho4 O24 Ta4 Ti4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015958","13.37","","13.37","","7.11","","90","","90","","120","","1100.69","","","","","","","","","","","","Central Kazakhstan","5","P -3 m 1","-P 3 2""","164","","","Pyrosmalite-(Mn)","- Cl H9 Mn8 O24 Si6 -","- Cl H9 Mn8 O24 Si6 -","- Cl2 H18 Mn16 O48 Si12 -","2","0.166667","","Kashaev, A. A.","The crystal structure of pyrosmalite","Soviet Physics Crystallography","1968","12","","923","924","","","","","","","","","","","","","","","","","","","","","","has coordinates","205217","2020-10-21","18:00:00",""
"9016006","10.9694","","7.5288","","5.3829","","90","","90","","90","","444.554","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Tantalaeschynite-(Ce)","- Ce O6 Ta Ti -","- Ce O6 Ta Ti -","- Ce4 O24 Ta4 Ti4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016333","14.5478","","5.5289","","5.1683","","90","","90","","90","","415.704","","","","","","","","","","","","Synthetic","4","P b c n","-P 2n 2ab","60","","","Tanteuxenite-(Yb)","- O6 Ta Ti Yb -","- O6 Ta Ti Yb -","- O24 Ta4 Ti4 Yb4 -","4","0.5","","Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.","Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide","Solid State Sciences","2010","12","","1263","1269","10.1016/j.solidstatesciences.2010.02.036","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016351","13.6","","20.24","","5.16","","90","","90","","90","","1420.36","","","","","","","","","","","","","8","C c c a :2","-C 2a 2ac","68","","","Balipholite","- Al3 Ba F3.36 H4.64 Li Mg2 O16.64 Si4 -","- Al3 Ba F3.36 H4.64 Li Mg2 O16.64 Si4 -","- Al12 Ba4 F13.44 H18.56 Li4 Mg8 O66.56 Si16 -","4","0.25","","X-ray Laboratory, Wuhan Geologic College; Geology Laboratory, Hunan Geology Bureau; Geology Team 654, Hunan Geology Bureau","Balipholite BaMg2LiAl3[Si2O6]2(OH,F)8 and its crystal structure","Scientia Geologica Sinica","1977","12","1","65","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","294123","2024-08-15","06:28:42",""
"9016479","5.18","","7.15","","5.004","","112.12","","97.8","","67.88","","159.051","","","","","","","","","","","","Newry, Maine, USA","5","P -1","-P 1","2","","","Amblygonite","- Al H Li O5 P -","- Al H Li O5 P -","- Al2 H2 Li2 O10 P2 -","2","1","","Baur, W. H.","Die Kristallstruktur des Edelamblygonits LiAlPO4(OH,F)","Acta Crystallographica","1959","12","","988","994","10.1107/S0365110X5900281X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017480","8.712","","3.845","","14.15","","90","","90","","90","","473.992","","","","","","","","","","","","Synthetic","3","P n m a","-P 2ac 2n","62","","","","- Br3 Fe K -","- Br3 Fe K -","- Br12 Fe4 K4 -","4","0.5","","Amit, A.; Horowitz, A.; Makovsky, J.","Preparation and crystal structure of KFeCl3 and KFeBr3","Israel Journal of Chemistry","1974","12","","827","830","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017539","5.151","","5.151","","8.69","","90","","90","","120","","199.68","","","","","","","","","","","","Synthetic","4","P 63","P 6c","173","","","Kalsilite","- Al K O4 Si -","- Al K O3.99999 Si -","- Al2 K2 O7.99998 Si2 -","2","0.333333","","Andou, Y.; Kawahara, A.","The refinement of the structure of synthetic kalsilite","Mineralogical Journal","1984","12","","153","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017827","5.35","","8.56","","24.22","","90","","101","","90","","1088.8","","","","","","","","","","","","Kolsk peninsula, Russia","4","A 1 2/a 1","-A 2ya","15","","","Vinogradovite","- Na2 O13 Si4 Ti2 -","- Na2 O13 Si4 Ti2 -","- Na8 O52 Si16 Ti8 -","4","0.5","","Rastsvetaeva, R. K.; Simonov, V. I.; Belov, N. V.","Crystal structure of vinogradovite Na4Ti4[Si2O6]2[Si4O10]O4*nH2O","Soviet Physics Doklady","1968","12","","1090","1092","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""